# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_P1star2H
_database_code_depnum_ccdc_archive 'CCDC 1565176'
_audit_update_record             
;
2017-07-27 deposited with the CCDC.
2018-10-18 downloaded from the CCDC.
;
_audit_creation_date             2017-02-13
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2017.02.06 svn.r3384 for OlexSys, GUI svn.r5312)
;
#2016ncs0712
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C72 H92 N6 Si2'
_chemical_formula_sum            'C72 H92 N6 Si2'
_chemical_formula_weight         1097.69
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C72 H92 N6 Si2'
_chemical_oxdiff_usercomment     Por-CN
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.4966(5)
_cell_length_b                   12.3975(8)
_cell_length_c                   13.2265(10)
_cell_angle_alpha                104.289(6)
_cell_angle_beta                 99.208(5)
_cell_angle_gamma                101.826(5)
_cell_volume                     1591.78(18)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    6076
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.8160
_cell_measurement_theta_min      2.3070
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.102
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.451
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.9g (Rigaku Oxford Diffraction, 2015)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dark blue'
_exptl_crystal_colour_modifier   'iridescent dark'
_exptl_crystal_colour_primary    blue
_exptl_crystal_density_diffrn    1.145
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             594
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-1 -2 -5 0.1317
0 -1 1 0.0085
0 1 -1 0.0085
-5 2 0 0.0601
5 -3 -1 0.1834
5 0 3 0.0829
-5 3 1 0.0708

_exptl_crystal_size_max          0.389
_exptl_crystal_size_mid          0.209
_exptl_crystal_size_min          0.017
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-0.9992 -1.9966 -4.9834 -0.2644 -0.1435 -0.2064
0.0009 -0.9973 0.9980 -0.0250 0.0641 0.0136
-0.0009 0.9973 -0.9980 0.0250 -0.0641 -0.0136
-4.9863 1.9889 0.0034 0.1099 0.0432 -0.3218
4.9861 -2.9864 -0.9998 -0.1961 -0.0618 0.2881
4.9872 0.0063 2.9867 0.0931 0.0353 0.4126
-4.9861 2.9864 0.9998 0.1961 0.0618 -0.2881

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0828
_diffrn_reflns_av_unetI/netI     0.0593
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            27097
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.026
_diffrn_reflns_theta_max         25.026
_diffrn_reflns_theta_min         2.306
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_detector_type            'Rigaku HG Saturn724+ (2x2 bin mode)'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -15.00  94.00   1.00   10.00    --    5.00  38.00 -60.00  109
  2  ω    -84.00  25.00   1.00   10.00    --    5.00 -38.00 -30.00  109
  3  ω    -31.00  83.00   1.00   10.00    --   -6.00  57.00-150.00  114
  4  ω    -95.00  23.00   1.00   10.00    --   -6.00 -72.00 -90.00  118
  5  ω    -95.00  23.00   1.00   10.00    --   -6.00 -72.00  90.00  118
  6  ω    -31.00  16.00   1.00   10.00    --   -6.00  57.00  90.00   47
;
_diffrn_measurement_device       'four-circle κ goniometer'
_diffrn_measurement_device_type  
'Rigaku FRE+ equipped with HF Varimax confocal mirrors and an AFC12 goniometer and HG Saturn 724+ detector'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support 'MiTeGen MicroLoop'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0002165000
_diffrn_orient_matrix_UB_12      0.0557578000
_diffrn_orient_matrix_UB_13      0.0306807000
_diffrn_orient_matrix_UB_21      -0.0177308000
_diffrn_orient_matrix_UB_22      -0.0227879000
_diffrn_orient_matrix_UB_23      0.0414807000
_diffrn_orient_matrix_UB_31      0.0685509000
_diffrn_orient_matrix_UB_32      0.0100483000
_diffrn_orient_matrix_UB_33      0.0236492000
_diffrn_radiation_collimation    0.2
_diffrn_radiation_monochromator  'Confocal mirrors, HF Varimax'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_xray_symbol    K-L~3~
_diffrn_source                   'Rotating Anode'
_diffrn_source_current           55.0
_diffrn_source_power             2.475
_diffrn_source_target            Mo
_diffrn_source_type              'Rigaku FRE+'
_diffrn_source_voltage           45.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4022
_reflns_number_total             5633
_reflns_odcompleteness_completeness 99.93
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     24.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.9g (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.9g (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.9g (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.757
_refine_diff_density_min         -0.489
_refine_diff_density_rms         0.065
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     399
_refine_ls_number_reflns         5633
_refine_ls_number_restraints     8
_refine_ls_R_factor_all          0.1048
_refine_ls_R_factor_gt           0.0734
_refine_ls_restrained_S_all      1.024
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1017P)²+1.4642P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1820
_refine_ls_wR_factor_ref         0.2053
_refine_special_details          
'The nitrile group is disordered over two positions requiring the use of geometrical restraints (SADI, SAME) and displacement contraints (EADP) on the minor component.'
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 Si1-C33 \\sim Si1-C33B
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C33B) = Uanis(C34B) = Uanis(C35B) = Uanis(C36B)
4. Same fragment restrains
{N3, C33, C34, C35, C36} sigma for 1-2: 0.02, 1-3: 0.04
as
{N3B, C33B, C34B, C35B, C36B}
5. Others
 Sof(N3B)=Sof(C33B)=Sof(H33C)=Sof(H33D)=Sof(C34B)=Sof(H34C)=Sof(H34D)=
 Sof(C35B)=Sof(H35C)=Sof(H35D)=Sof(C36B)=1-FVAR(1)
 Sof(N3)=Sof(C33)=Sof(H33A)=Sof(H33B)=Sof(C34)=Sof(H34A)=Sof(H34B)=Sof(C35)=
 Sof(H35A)=Sof(H35B)=Sof(C36)=FVAR(1)
 Fixed Sof: H1(0.5) H2(0.5)
6.a Ternary CH refined with riding coordinates:
 C27(H27), C30(H30)
6.b Secondary CH2 refined with riding coordinates:
 C33(H33A,H33B), C34(H34A,H34B), C35(H35A,H35B), C33B(H33C,H33D), C34B(H34C,
 H34D), C35B(H35C,H35D)
6.c Aromatic/amide H refined with riding coordinates:
 N1(H1), N2(H2), C2(H2A), C3(H3), C7(H7), C8(H8), C12(H12), C14(H14), C16(H16)
6.d Idealised Me refined as rotating group:
 C18(H18A,H18B,H18C), C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C22(H22A,H22B,
 H22C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C28(H28A,H28B,H28C), C29(H29A,
 H29B,H29C), C31(H31A,H31B,H31C), C32(H32A,H32B,H32C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si 0.28849(9) 0.76876(9) 0.59694(7) 0.0430(3) Uani 1 1 d D . . . .
N1 N 1.0909(2) 0.9657(2) 0.36975(18) 0.0259(6) Uani 1 1 d . . . . .
H1 H 1.0477 0.9852 0.4203 0.031 Uiso 0.5 1 calc R . P . .
N2 N 0.8300(2) 0.8883(2) 0.40435(19) 0.0274(6) Uani 1 1 d . . . . .
H2 H 0.9050 0.9368 0.4438 0.033 Uiso 0.5 1 calc R . P . .
C1 C 1.2235(3) 1.0094(3) 0.3769(2) 0.0264(7) Uani 1 1 d . . . . .
C2 C 1.2530(3) 0.9566(3) 0.2780(2) 0.0307(7) Uani 1 1 d . . . . .
H2A H 1.3376 0.9713 0.2598 0.037 Uiso 1 1 calc R . . . .
C3 C 1.1385(3) 0.8811(3) 0.2140(2) 0.0295(7) Uani 1 1 d . . . . .
H3 H 1.1294 0.8335 0.1435 0.035 Uiso 1 1 calc R . . . .
C4 C 1.0349(3) 0.8861(2) 0.2710(2) 0.0260(7) Uani 1 1 d . . . . .
C5 C 0.9029(3) 0.8194(2) 0.2372(2) 0.0264(7) Uani 1 1 d . . . . .
C6 C 0.8077(3) 0.8222(3) 0.3006(2) 0.0270(7) Uani 1 1 d . . . . .
C7 C 0.6703(3) 0.7543(3) 0.2639(2) 0.0333(8) Uani 1 1 d . . . . .
H7 H 0.6302 0.7019 0.1950 0.040 Uiso 1 1 calc R . . . .
C8 C 0.6112(3) 0.7797(3) 0.3459(2) 0.0357(8) Uani 1 1 d . . . . .
H8 H 0.5206 0.7488 0.3462 0.043 Uiso 1 1 calc R . . . .
C9 C 0.7107(3) 0.8629(3) 0.4337(2) 0.0289(7) Uani 1 1 d . . . . .
C10 C 0.6855(3) 0.9096(3) 0.5342(2) 0.0298(7) Uani 1 1 d . . . . .
C11 C 0.8627(3) 0.7389(3) 0.1266(2) 0.0262(7) Uani 1 1 d . . . . .
C12 C 0.8640(3) 0.7799(3) 0.0377(2) 0.0280(7) Uani 1 1 d . . . . .
H12 H 0.8946 0.8603 0.0481 0.034 Uiso 1 1 calc R . . . .
C13 C 0.8218(3) 0.7061(3) -0.0659(2) 0.0281(7) Uani 1 1 d . . . . .
C14 C 0.7784(3) 0.5885(3) -0.0781(2) 0.0281(7) Uani 1 1 d . . . . .
H14 H 0.7479 0.5370 -0.1483 0.034 Uiso 1 1 calc R . . . .
C15 C 0.7780(3) 0.5439(3) 0.0085(2) 0.0269(7) Uani 1 1 d . . . . .
C16 C 0.8212(3) 0.6211(3) 0.1109(2) 0.0271(7) Uani 1 1 d . . . . .
H16 H 0.8223 0.5925 0.1713 0.032 Uiso 1 1 calc R . . . .
C17 C 0.8173(3) 0.7519(3) -0.1640(2) 0.0344(7) Uani 1 1 d . . . . .
C18 C 0.8348(7) 0.6641(4) -0.2604(3) 0.0815(17) Uani 1 1 d . . . . .
H18A H 0.9203 0.6453 -0.2428 0.122 Uiso 1 1 calc GR . . . .
H18B H 0.8334 0.6963 -0.3210 0.122 Uiso 1 1 calc GR . . . .
H18C H 0.7619 0.5941 -0.2793 0.122 Uiso 1 1 calc GR . . . .
C19 C 0.6800(4) 0.7741(4) -0.1921(4) 0.0668(13) Uani 1 1 d . . . . .
H19A H 0.6106 0.7032 -0.2039 0.100 Uiso 1 1 calc GR . . . .
H19B H 0.6723 0.7985 -0.2574 0.100 Uiso 1 1 calc GR . . . .
H19C H 0.6691 0.8346 -0.1332 0.100 Uiso 1 1 calc GR . . . .
C20 C 0.9249(4) 0.8618(4) -0.1425(3) 0.0540(11) Uani 1 1 d . . . . .
H20A H 0.9081 0.9230 -0.0874 0.081 Uiso 1 1 calc GR . . . .
H20B H 0.9240 0.8845 -0.2085 0.081 Uiso 1 1 calc GR . . . .
H20C H 1.0122 0.8492 -0.1177 0.081 Uiso 1 1 calc GR . . . .
C21 C 0.7346(3) 0.4144(3) -0.0046(2) 0.0310(7) Uani 1 1 d . . . . .
C22 C 0.8539(3) 0.3777(3) 0.0464(3) 0.0391(8) Uani 1 1 d . . . . .
H22A H 0.9262 0.3913 0.0089 0.059 Uiso 1 1 calc GR . . . .
H22B H 0.8268 0.2957 0.0411 0.059 Uiso 1 1 calc GR . . . .
H22C H 0.8850 0.4227 0.1219 0.059 Uiso 1 1 calc GR . . . .
C23 C 0.6891(3) 0.3434(3) -0.1214(3) 0.0390(8) Uani 1 1 d . . . . .
H23A H 0.6148 0.3675 -0.1564 0.059 Uiso 1 1 calc GR . . . .
H23B H 0.6598 0.2617 -0.1259 0.059 Uiso 1 1 calc GR . . . .
H23C H 0.7634 0.3551 -0.1573 0.059 Uiso 1 1 calc GR . . . .
C24 C 0.6172(3) 0.3887(3) 0.0509(3) 0.0415(9) Uani 1 1 d . . . . .
H24A H 0.6441 0.4340 0.1264 0.062 Uiso 1 1 calc GR . . . .
H24B H 0.5932 0.3066 0.0457 0.062 Uiso 1 1 calc GR . . . .
H24C H 0.5400 0.4093 0.0157 0.062 Uiso 1 1 calc GR . . . .
C25 C 0.5527(3) 0.8697(3) 0.5489(2) 0.0341(8) Uani 1 1 d . . . . .
C26 C 0.4446(3) 0.8334(3) 0.5641(3) 0.0421(9) Uani 1 1 d . . . . .
C27 C 0.3133(4) 0.6408(4) 0.6362(4) 0.0653(13) Uani 1 1 d . . . . .
H27 H 0.3736 0.6719 0.7091 0.078 Uiso 1 1 calc R . . . .
C28 C 0.3853(5) 0.5686(4) 0.5697(4) 0.0776(14) Uani 1 1 d . . . . .
H28A H 0.3297 0.5323 0.4974 0.116 Uiso 1 1 calc GR . . . .
H28B H 0.4037 0.5089 0.6023 0.116 Uiso 1 1 calc GR . . . .
H28C H 0.4697 0.6174 0.5661 0.116 Uiso 1 1 calc GR . . . .
C29 C 0.1878(4) 0.5670(4) 0.6512(4) 0.0678(13) Uani 1 1 d . . . . .
H29A H 0.1461 0.6153 0.6991 0.102 Uiso 1 1 calc GR . . . .
H29B H 0.2107 0.5077 0.6825 0.102 Uiso 1 1 calc GR . . . .
H29C H 0.1254 0.5302 0.5817 0.102 Uiso 1 1 calc GR . . . .
C30 C 0.1474(4) 0.7460(4) 0.4826(4) 0.0560(11) Uani 1 1 d . . . . .
H30 H 0.1601 0.8195 0.4625 0.067 Uiso 1 1 calc R . . . .
C31 C 0.0112(4) 0.7255(4) 0.5127(4) 0.0712(14) Uani 1 1 d . . . . .
H31A H -0.0081 0.6521 0.5297 0.107 Uiso 1 1 calc GR . . . .
H31B H -0.0581 0.7232 0.4523 0.107 Uiso 1 1 calc GR . . . .
H31C H 0.0127 0.7882 0.5751 0.107 Uiso 1 1 calc GR . . . .
C32 C 0.1481(4) 0.6520(5) 0.3828(3) 0.0692(14) Uani 1 1 d . . . . .
H32A H 0.2361 0.6674 0.3654 0.104 Uiso 1 1 calc GR . . . .
H32B H 0.0801 0.6518 0.3225 0.104 Uiso 1 1 calc GR . . . .
H32C H 0.1285 0.5769 0.3966 0.104 Uiso 1 1 calc GR . . . .
N3 N 0.3050(5) 0.9276(4) 1.0151(4) 0.0500(12) Uani 0.781(6) 1 d D . P A 1
C33 C 0.2596(4) 0.8817(5) 0.7125(4) 0.0420(13) Uani 0.781(6) 1 d D . P A 1
H33A H 0.1999 0.9240 0.6827 0.050 Uiso 0.781(6) 1 calc R . P A 1
H33B H 0.2132 0.8419 0.7578 0.050 Uiso 0.781(6) 1 calc R . P A 1
C34 C 0.3867(5) 0.9679(4) 0.7823(4) 0.0382(12) Uani 0.781(6) 1 d D . P A 1
H34A H 0.4249 1.0172 0.7403 0.046 Uiso 0.781(6) 1 calc R . P A 1
H34B H 0.4525 0.9256 0.8021 0.046 Uiso 0.781(6) 1 calc R . P A 1
C35 C 0.3643(9) 1.0449(9) 0.8848(6) 0.0446(16) Uani 0.781(6) 1 d D . P A 1
H35A H 0.4466 1.1070 0.9207 0.054 Uiso 0.781(6) 1 calc R . P A 1
H35B H 0.2917 1.0812 0.8659 0.054 Uiso 0.781(6) 1 calc R . P A 1
C36 C 0.3293(4) 0.9790(4) 0.9581(3) 0.0368(12) Uani 0.781(6) 1 d D . P A 1
N3B N 0.6141(18) 1.0772(14) 0.9394(16) 0.060(5) Uani 0.219(6) 1 d D . P A 2
C33B C 0.3156(19) 0.8331(13) 0.7465(11) 0.048(3) Uani 0.219(6) 1 d D . P A 2
H33C H 0.2445 0.7930 0.7753 0.057 Uiso 0.219(6) 1 calc R . P A 2
H33D H 0.4036 0.8302 0.7845 0.057 Uiso 0.219(6) 1 calc R . P A 2
C34B C 0.309(2) 0.9581(16) 0.7553(15) 0.048(3) Uani 0.219(6) 1 d D . P A 2
H34C H 0.3636 0.9883 0.7091 0.057 Uiso 0.219(6) 1 calc R . P A 2
H34D H 0.2155 0.9587 0.7288 0.057 Uiso 0.219(6) 1 calc R . P A 2
C35B C 0.359(3) 1.037(3) 0.870(3) 0.048(3) Uani 0.219(6) 1 d D . P A 2
H35C H 0.3327 1.1100 0.8740 0.057 Uiso 0.219(6) 1 calc R . P A 2
H35D H 0.3150 1.0000 0.9180 0.057 Uiso 0.219(6) 1 calc R . P A 2
C36B C 0.5025(17) 1.0632(15) 0.9077(14) 0.048(3) Uani 0.219(6) 1 d D . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Si1 C26 1.838(3) . ?
Si1 C27 1.840(5) . ?
Si1 C30 1.860(4) . ?
Si1 C33 1.912(5) . ?
Si1 C33B 1.892(13) . ?
N1 H1 0.8800 . ?
N1 C1 1.365(4) . ?
N1 C4 1.380(4) . ?
N2 H2 0.8800 . ?
N2 C6 1.369(4) . ?
N2 C9 1.368(4) . ?
C1 C2 1.424(4) . ?
C1 C10 1.403(4) 2_776 ?
C2 H2A 0.9500 . ?
C2 C3 1.364(4) . ?
C3 H3 0.9500 . ?
C3 C4 1.422(4) . ?
C4 C5 1.397(4) . ?
C5 C6 1.404(4) . ?
C5 C11 1.490(4) . ?
C6 C7 1.450(4) . ?
C7 H7 0.9500 . ?
C7 C8 1.337(4) . ?
C8 H8 0.9500 . ?
C8 C9 1.443(4) . ?
C9 C10 1.404(4) . ?
C10 C1 1.403(4) 2_776 ?
C10 C25 1.441(4) . ?
C11 C12 1.393(4) . ?
C11 C16 1.388(4) . ?
C12 H12 0.9500 . ?
C12 C13 1.390(4) . ?
C13 C14 1.395(4) . ?
C13 C17 1.538(4) . ?
C14 H14 0.9500 . ?
C14 C15 1.390(4) . ?
C15 C16 1.394(4) . ?
C15 C21 1.533(4) . ?
C16 H16 0.9500 . ?
C17 C18 1.522(5) . ?
C17 C19 1.527(5) . ?
C17 C20 1.512(5) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.531(5) . ?
C21 C23 1.520(4) . ?
C21 C24 1.550(4) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.199(4) . ?
C27 H27 1.0000 . ?
C27 C28 1.500(7) . ?
C27 C29 1.514(6) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30 1.0000 . ?
C30 C31 1.532(5) . ?
C30 C32 1.532(6) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
N3 C36 1.129(6) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C33 C34 1.519(6) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C34 C35 1.537(7) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C35 C36 1.456(15) . ?
N3B C36B 1.141(16) . ?
C33B H33C 0.9900 . ?
C33B H33D 0.9900 . ?
C33B C34B 1.542(16) . ?
C34B H34C 0.9900 . ?
C34B H34D 0.9900 . ?
C34B C35B 1.528(17) . ?
C35B H35C 0.9900 . ?
C35B H35D 0.9900 . ?
C35B C36B 1.45(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C26 Si1 C27 106.68(18) . . ?
C26 Si1 C30 108.70(17) . . ?
C26 Si1 C33 107.13(18) . . ?
C26 Si1 C33B 104.6(6) . . ?
C27 Si1 C30 117.1(2) . . ?
C27 Si1 C33 111.7(2) . . ?
C27 Si1 C33B 82.5(5) . . ?
C30 Si1 C33 105.2(2) . . ?
C30 Si1 C33B 133.1(6) . . ?
C1 N1 H1 125.2 . . ?
C1 N1 C4 109.6(2) . . ?
C4 N1 H1 125.2 . . ?
C6 N2 H2 127.3 . . ?
C9 N2 H2 127.3 . . ?
C9 N2 C6 105.4(2) . . ?
N1 C1 C2 107.4(2) . . ?
N1 C1 C10 126.4(3) . 2_776 ?
C10 C1 C2 126.2(3) 2_776 . ?
C1 C2 H2A 126.0 . . ?
C3 C2 C1 107.9(3) . . ?
C3 C2 H2A 126.0 . . ?
C2 C3 H3 126.0 . . ?
C2 C3 C4 108.1(3) . . ?
C4 C3 H3 126.0 . . ?
N1 C4 C3 106.9(2) . . ?
N1 C4 C5 125.8(3) . . ?
C5 C4 C3 127.2(3) . . ?
C4 C5 C6 124.4(3) . . ?
C4 C5 C11 117.0(2) . . ?
C6 C5 C11 118.5(2) . . ?
N2 C6 C5 125.6(3) . . ?
N2 C6 C7 110.4(2) . . ?
C5 C6 C7 124.0(3) . . ?
C6 C7 H7 126.7 . . ?
C8 C7 C6 106.7(3) . . ?
C8 C7 H7 126.7 . . ?
C7 C8 H8 126.5 . . ?
C7 C8 C9 107.1(3) . . ?
C9 C8 H8 126.5 . . ?
N2 C9 C8 110.5(2) . . ?
N2 C9 C10 126.0(3) . . ?
C10 C9 C8 123.5(3) . . ?
C1 C10 C9 126.9(3) 2_776 . ?
C1 C10 C25 116.1(3) 2_776 . ?
C9 C10 C25 117.0(3) . . ?
C12 C11 C5 121.1(3) . . ?
C16 C11 C5 120.0(3) . . ?
C16 C11 C12 118.9(3) . . ?
C11 C12 H12 119.2 . . ?
C13 C12 C11 121.6(3) . . ?
C13 C12 H12 119.2 . . ?
C12 C13 C14 117.6(3) . . ?
C12 C13 C17 121.5(3) . . ?
C14 C13 C17 120.8(3) . . ?
C13 C14 H14 118.7 . . ?
C15 C14 C13 122.6(3) . . ?
C15 C14 H14 118.7 . . ?
C14 C15 C16 117.8(3) . . ?
C14 C15 C21 122.7(3) . . ?
C16 C15 C21 119.5(3) . . ?
C11 C16 C15 121.5(3) . . ?
C11 C16 H16 119.3 . . ?
C15 C16 H16 119.3 . . ?
C18 C17 C13 111.4(3) . . ?
C18 C17 C19 108.0(4) . . ?
C19 C17 C13 107.7(3) . . ?
C20 C17 C13 111.9(3) . . ?
C20 C17 C18 108.0(3) . . ?
C20 C17 C19 109.8(3) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C15 C21 C24 109.9(2) . . ?
C22 C21 C15 108.5(2) . . ?
C22 C21 C24 110.1(3) . . ?
C23 C21 C15 112.3(3) . . ?
C23 C21 C22 108.1(3) . . ?
C23 C21 C24 108.0(3) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 C10 176.8(4) . . ?
C25 C26 Si1 173.3(4) . . ?
Si1 C27 H27 105.0 . . ?
C28 C27 Si1 115.7(3) . . ?
C28 C27 H27 105.0 . . ?
C28 C27 C29 111.0(4) . . ?
C29 C27 Si1 113.9(3) . . ?
C29 C27 H27 105.0 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
Si1 C30 H30 106.3 . . ?
C31 C30 Si1 112.9(3) . . ?
C31 C30 H30 106.3 . . ?
C32 C30 Si1 113.2(3) . . ?
C32 C30 H30 106.3 . . ?
C32 C30 C31 111.3(4) . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
Si1 C33 H33A 108.7 . . ?
Si1 C33 H33B 108.7 . . ?
H33A C33 H33B 107.6 . . ?
C34 C33 Si1 114.0(3) . . ?
C34 C33 H33A 108.7 . . ?
C34 C33 H33B 108.7 . . ?
C33 C34 H34A 108.9 . . ?
C33 C34 H34B 108.9 . . ?
C33 C34 C35 113.2(5) . . ?
H34A C34 H34B 107.8 . . ?
C35 C34 H34A 108.9 . . ?
C35 C34 H34B 108.9 . . ?
C34 C35 H35A 109.4 . . ?
C34 C35 H35B 109.4 . . ?
H35A C35 H35B 108.0 . . ?
C36 C35 C34 111.3(7) . . ?
C36 C35 H35A 109.4 . . ?
C36 C35 H35B 109.4 . . ?
N3 C36 C35 178.5(6) . . ?
Si1 C33B H33C 111.4 . . ?
Si1 C33B H33D 111.4 . . ?
H33C C33B H33D 109.2 . . ?
C34B C33B Si1 102.0(11) . . ?
C34B C33B H33C 111.4 . . ?
C34B C33B H33D 111.4 . . ?
C33B C34B H34C 109.1 . . ?
C33B C34B H34D 109.1 . . ?
H34C C34B H34D 107.8 . . ?
C35B C34B C33B 112.6(19) . . ?
C35B C34B H34C 109.1 . . ?
C35B C34B H34D 109.1 . . ?
C34B C35B H35C 108.9 . . ?
C34B C35B H35D 108.9 . . ?
H35C C35B H35D 107.7 . . ?
C36B C35B C34B 113(2) . . ?
C36B C35B H35C 108.9 . . ?
C36B C35B H35D 108.9 . . ?
N3B C36B C35B 175(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Si1 C33 C34 C35 -170.3(6) . . . . ?
Si1 C33B C34B C35B -167(2) . . . . ?
N1 C1 C2 C3 -0.8(4) . . . . ?
N1 C4 C5 C6 -1.4(5) . . . . ?
N1 C4 C5 C11 179.6(3) . . . . ?
N2 C6 C7 C8 -0.2(4) . . . . ?
N2 C9 C10 C1 0.1(6) . . . 2_776 ?
N2 C9 C10 C25 -179.2(3) . . . . ?
C1 N1 C4 C3 -0.4(3) . . . . ?
C1 N1 C4 C5 176.5(3) . . . . ?
C1 C2 C3 C4 0.6(4) . . . . ?
C2 C3 C4 N1 -0.1(4) . . . . ?
C2 C3 C4 C5 -177.0(3) . . . . ?
C3 C4 C5 C6 174.9(3) . . . . ?
C3 C4 C5 C11 -4.1(5) . . . . ?
C4 N1 C1 C2 0.8(3) . . . . ?
C4 N1 C1 C10 -178.5(3) . . . 2_776 ?
C4 C5 C6 N2 -1.2(5) . . . . ?
C4 C5 C6 C7 178.8(3) . . . . ?
C4 C5 C11 C12 -63.3(4) . . . . ?
C4 C5 C11 C16 117.6(3) . . . . ?
C5 C6 C7 C8 179.8(3) . . . . ?
C5 C11 C12 C13 -177.4(3) . . . . ?
C5 C11 C16 C15 177.5(3) . . . . ?
C6 N2 C9 C8 -0.5(4) . . . . ?
C6 N2 C9 C10 179.5(3) . . . . ?
C6 C5 C11 C12 117.6(3) . . . . ?
C6 C5 C11 C16 -61.5(4) . . . . ?
C6 C7 C8 C9 -0.1(4) . . . . ?
C7 C8 C9 N2 0.4(4) . . . . ?
C7 C8 C9 C10 -179.6(3) . . . . ?
C8 C9 C10 C1 -179.9(3) . . . 2_776 ?
C8 C9 C10 C25 0.9(5) . . . . ?
C9 N2 C6 C5 -179.6(3) . . . . ?
C9 N2 C6 C7 0.4(3) . . . . ?
C10 C1 C2 C3 178.4(3) 2_776 . . . ?
C11 C5 C6 N2 177.8(3) . . . . ?
C11 C5 C6 C7 -2.2(5) . . . . ?
C11 C12 C13 C14 -0.4(4) . . . . ?
C11 C12 C13 C17 177.2(3) . . . . ?
C12 C11 C16 C15 -1.6(4) . . . . ?
C12 C13 C14 C15 -1.0(4) . . . . ?
C12 C13 C17 C18 152.4(4) . . . . ?
C12 C13 C17 C19 -89.3(4) . . . . ?
C12 C13 C17 C20 31.4(4) . . . . ?
C13 C14 C15 C16 1.0(4) . . . . ?
C13 C14 C15 C21 -178.0(3) . . . . ?
C14 C13 C17 C18 -30.1(5) . . . . ?
C14 C13 C17 C19 88.1(4) . . . . ?
C14 C13 C17 C20 -151.1(3) . . . . ?
C14 C15 C16 C11 0.4(4) . . . . ?
C14 C15 C21 C22 117.7(3) . . . . ?
C14 C15 C21 C23 -1.7(4) . . . . ?
C14 C15 C21 C24 -122.0(3) . . . . ?
C16 C11 C12 C13 1.6(4) . . . . ?
C16 C15 C21 C22 -61.3(3) . . . . ?
C16 C15 C21 C23 179.3(3) . . . . ?
C16 C15 C21 C24 59.1(4) . . . . ?
C17 C13 C14 C15 -178.5(3) . . . . ?
C21 C15 C16 C11 179.4(2) . . . . ?
C26 Si1 C27 C28 -41.3(4) . . . . ?
C26 Si1 C27 C29 -171.9(3) . . . . ?
C26 Si1 C30 C31 -163.5(3) . . . . ?
C26 Si1 C30 C32 68.9(3) . . . . ?
C26 Si1 C33B C34B 72.1(13) . . . . ?
C27 Si1 C30 C31 75.6(4) . . . . ?
C27 Si1 C30 C32 -52.0(3) . . . . ?
C27 Si1 C33B C34B 177.5(13) . . . . ?
C30 Si1 C27 C28 80.6(4) . . . . ?
C30 Si1 C27 C29 -49.9(4) . . . . ?
C30 Si1 C33B C34B -62.1(15) . . . . ?
C33 Si1 C27 C28 -158.1(3) . . . . ?
C33 Si1 C27 C29 71.4(4) . . . . ?
C33 Si1 C30 C31 -49.1(4) . . . . ?
C33 Si1 C30 C32 -176.6(3) . . . . ?
C33 C34 C35 C36 68.2(7) . . . . ?
C33B Si1 C27 C28 -144.4(7) . . . . ?
C33B Si1 C27 C29 85.1(7) . . . . ?
C33B Si1 C30 C31 -30.6(8) . . . . ?
C33B Si1 C30 C32 -158.2(7) . . . . ?
C33B C34B C35B C36B 72(4) . . . . ?

_olex2_diffrn_ambient_temperature_device 'Oxford Cryosystems'
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.581
_oxdiff_exptl_absorpt_empirical_full_min 0.568
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_P2Gd2
_database_code_depnum_ccdc_archive 'CCDC 1565188'
_audit_update_record             
;
2017-07-27 deposited with the CCDC.
2018-10-18 downloaded from the CCDC.
;
_audit_creation_date             2017-02-16
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2017.02.06 svn.r3384 for OlexSys, GUI svn.r5312)
;
#2016ncs0593
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C156 H212 Co2 Gd1.86 N8 O18 P6 Si2, 0.14(Gd)'
_chemical_formula_sum            'C156 H212 Co2 Gd2 N8 O18 P6 Si2'
_chemical_formula_weight         3161.68
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C156 H212 Co2 Gd2 N8 O18 P6 Si2'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -0.1653 3.9035 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.3106(2)
_cell_length_b                   14.6582(3)
_cell_length_c                   27.9536(4)
_cell_angle_alpha                75.075(2)
_cell_angle_beta                 86.248(2)
_cell_angle_gamma                70.983(2)
_cell_volume                     3858.65(13)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    41283
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.5750
_cell_measurement_theta_min      1.9330
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.202
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.79929
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.9g (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.361
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1648
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.005
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0490
_diffrn_reflns_av_unetI/netI     0.0376
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            88673
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_min         2.167
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_detector_type            'Rigaku HG Saturn724+ (2x2 bin mode)'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -94.00  71.00   1.00   40.00    --  -19.00  18.00-150.00  165
  2  ω    -78.00  22.00   1.00   40.00    --  -19.00 -72.00 -60.00  100
  3  ω    -31.00  71.00   1.00   40.00    --  -19.00  72.00-120.00  102
  4  ω    -68.00  21.00   1.00   40.00    --  -19.00 -72.00 120.00   89
  5  ω    -31.00  -9.00   1.00   40.00    --  -19.00  54.00  90.00   22
  6  ω    -69.00  71.00   1.00   40.00    --  -19.00  18.00 -60.00  140
  7  ω    -94.00  20.00   1.00   40.00    --  -19.00 -54.00 120.00  114
  8  ω    -59.00  58.00   1.00   40.00    --  -19.00  36.00  30.00  117
  9  ω    -80.00  14.00   1.00   40.00    --  -19.00 -72.00  90.00   94
 10  ω    -68.00  22.00   1.00   40.00    --  -19.00 -72.00 -90.00   90
 11  ω    -30.00  -4.00   1.00   40.00    --  -19.00  72.00  30.00   26
 12  ω    -94.00  -3.00   1.00   40.00    --  -19.00  18.00-120.00   91
;
_diffrn_measurement_device       'four-circle κ goniometer'
_diffrn_measurement_device_type  
'Rigaku FRE+ equipped with VHF Varimax confocal mirrors and an AFC12 goniometer and HG Saturn 724+ detector'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support 'MiTeGen MicroLoop'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0058308000
_diffrn_orient_matrix_UB_12      -0.0206093000
_diffrn_orient_matrix_UB_13      0.0256361000
_diffrn_orient_matrix_UB_21      0.0265731000
_diffrn_orient_matrix_UB_22      -0.0486762000
_diffrn_orient_matrix_UB_23      -0.0037890000
_diffrn_orient_matrix_UB_31      0.0675038000
_diffrn_orient_matrix_UB_32      -0.0008847000
_diffrn_orient_matrix_UB_33      0.0042788000
_diffrn_radiation_collimation    0.2
_diffrn_radiation_monochromator  'Confocal mirrors, VHF Varimax'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_xray_symbol    K-L~3~
_diffrn_source                   'Rotating Anode'
_diffrn_source_current           55.0
_diffrn_source_power             2.475
_diffrn_source_target            Mo
_diffrn_source_type              'Rigaku FRE+'
_diffrn_source_voltage           45.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                15807
_reflns_number_total             17691
_reflns_odcompleteness_completeness 99.85
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.42
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.9g (Rigaku OD, 2015)'
_computing_data_collection       'CrystalClear-SM Expert 3.1 b27 (Rigaku, 2013)'
_computing_data_reduction        'CrysAlisPro 1.171.39.9g (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         3.623
_refine_diff_density_min         -1.068
_refine_diff_density_rms         0.125
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.153
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1015
_refine_ls_number_reflns         17691
_refine_ls_number_restraints     1386
_refine_ls_R_factor_all          0.0738
_refine_ls_R_factor_gt           0.0645
_refine_ls_restrained_S_all      1.148
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0440P)²+22.0340P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1512
_refine_ls_wR_factor_ref         0.1555
_refine_special_details          
;
There is disorder of the phosphorous and cyclopentadienyl ligands around the cobalt cation and one t-butyl group. Due to this various geometrical (SAME) and displacement (RIGU) restraints along with displacement (EADP) constraints have been used. 
Also the molecules pack into tapes. A small percent (7) pack in the opposite direction. This is shown in disorder of the gadolinium cation, but it is just not possible to accurately model the rest of this system. To highlight this, the minor gadolinium ion has been left isolated.
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(O104) = Uanis(C101) = Uanis(C102)
Uanis(O105) = Uanis(C103) = Uanis(C104)
Uanis(O106) = Uanis(C105) = Uanis(C106)
Uanis(O107) = Uanis(C107) = Uanis(C108)
Uanis(O108) = Uanis(C109) = Uanis(C110)
Uanis(O109) = Uanis(C111) = Uanis(C112)
Uanis(O204) = Uanis(C201) = Uanis(C202)
Uanis(O205) = Uanis(C203) = Uanis(C204)
Uanis(O206) = Uanis(C205) = Uanis(C206)
Uanis(O207) = Uanis(C207) = Uanis(C208)
Uanis(O208) = Uanis(C209) = Uanis(C210)
Uanis(O209) = Uanis(C211) = Uanis(C212)
Uanis(C121) = Uanis(C122) = Uanis(C123) = Uanis(C124) = Uanis(C125)
Uanis(C221) = Uanis(C222) = Uanis(C223) = Uanis(C224) = Uanis(C225)
3. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4. Same fragment restrains
{Co1, P101, P102, P103, O101, O102, O103, O104, O105, O106, O107, O108, O109,
C101, C102, C103, C104, C105, C106, C107, C108, C109, C110, C111, C112, C121,
C122, C123, C124, C125} sigma for 1-2: 0.02, 1-3: 0.04
as
{Co1B, P201, P202, P203, O201, O202, O203, O204, O205, O206, O207, O208, O209,
C201, C202, C203, C204, C205, C206, C207, C208, C209, C210, C211, C212, C221,
C222, C223, C224, C225}
5. Others
 Sof(C54A)=Sof(C55A)=Sof(H55D)=Sof(H55E)=Sof(H55F)=Sof(C56A)=Sof(H56D)=
 Sof(H56E)=Sof(H56F)=Sof(C57A)=Sof(H57D)=Sof(H57E)=Sof(H57F)=1-FVAR(1)
 Sof(C54)=Sof(C55)=Sof(H55A)=Sof(H55B)=Sof(H55C)=Sof(C56)=Sof(H56A)=Sof(H56B)=
 Sof(H56C)=Sof(C57)=Sof(H57A)=Sof(H57B)=Sof(H57C)=FVAR(1)
 Sof(Gd1B)=1-FVAR(2)
 Sof(Gd1)=FVAR(2)
 Sof(Co1B)=Sof(P201)=Sof(P202)=Sof(P203)=Sof(O201)=Sof(O202)=Sof(O203)=
 Sof(O204)=Sof(O205)=Sof(O206)=Sof(O207)=Sof(O208)=Sof(O209)=Sof(C201)=
 Sof(H20A)=Sof(H20B)=Sof(C202)=Sof(H20C)=Sof(H20D)=Sof(H20E)=Sof(C203)=
 Sof(H20F)=Sof(H20G)=Sof(C204)=Sof(H20H)=Sof(H20I)=Sof(H20J)=Sof(C205)=
 Sof(H20K)=Sof(H20L)=Sof(C206)=Sof(H20M)=Sof(H20N)=Sof(H20O)=Sof(C207)=
 Sof(H20P)=Sof(H20Q)=Sof(C208)=Sof(H20R)=Sof(H20S)=Sof(H20T)=Sof(C209)=
 Sof(H20U)=Sof(H20V)=Sof(C210)=Sof(H21A)=Sof(H21B)=Sof(H21C)=Sof(C211)=
 Sof(H21D)=Sof(H21E)=Sof(C212)=Sof(H21F)=Sof(H21G)=Sof(H21H)=Sof(C221)=
 Sof(H221)=Sof(C222)=Sof(H222)=Sof(C223)=Sof(H223)=Sof(C224)=Sof(H224)=
 Sof(C225)=Sof(H225)=1-FVAR(3)
 Sof(Co1)=Sof(P101)=Sof(P102)=Sof(P103)=Sof(O101)=Sof(O102)=Sof(O103)=
 Sof(O104)=Sof(O105)=Sof(O106)=Sof(O107)=Sof(O108)=Sof(O109)=Sof(C101)=
 Sof(H10A)=Sof(H10B)=Sof(C102)=Sof(H10C)=Sof(H10D)=Sof(H10E)=Sof(C103)=
 Sof(H10F)=Sof(H10G)=Sof(C104)=Sof(H10H)=Sof(H10I)=Sof(H10J)=Sof(C105)=
 Sof(H10K)=Sof(H10L)=Sof(C106)=Sof(H10M)=Sof(H10N)=Sof(H10O)=Sof(C107)=
 Sof(H10P)=Sof(H10Q)=Sof(C108)=Sof(H10R)=Sof(H10S)=Sof(H10T)=Sof(C109)=
 Sof(H10U)=Sof(H10V)=Sof(C110)=Sof(H11A)=Sof(H11B)=Sof(H11C)=Sof(C111)=
 Sof(H11D)=Sof(H11E)=Sof(C112)=Sof(H11F)=Sof(H11G)=Sof(H11H)=Sof(C121)=
 Sof(H121)=Sof(C122)=Sof(H122)=Sof(C123)=Sof(H123)=Sof(C124)=Sof(H124)=
 Sof(C125)=Sof(H125)=FVAR(3)
6.a Ternary CH refined with riding coordinates:
 C25(H25), C28(H28), C31(H31), C221(H221)
6.b Secondary CH2 refined with riding coordinates:
 C101(H10A,H10B), C103(H10F,H10G), C105(H10K,H10L), C107(H10P,H10Q), C109(H10U,
 H10V), C111(H11D,H11E), C201(H20A,H20B), C203(H20F,H20G), C205(H20K,H20L),
 C207(H20P,H20Q), C209(H20U,H20V), C211(H21D,H21E)
6.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C7(H7), C8(H8), C12(H12), C13(H13), C17(H17), C18(H18),
 C35(H35), C37(H37), C39(H39), C49(H49), C51(H51), C53(H53), C121(H121),
 C122(H122), C123(H123), C124(H124), C125(H125), C222(H222), C223(H223),
 C224(H224), C225(H225)
6.d Fitted pentagon refined as free rotating group:
 C121(C122,C123,C124,C125), C221(C222,C223,C224,C225)
6.e Idealised Me refined as rotating group:
 C26(H26A,H26B,H26C), C27(H27A,H27B,H27C), C29(H29A,H29B,H29C), C30(H30A,H30B,
 H30C), C32(H32A,H32B,H32C), C33(H33A,H33B,H33C), C41(H41A,H41B,H41C), C42(H42A,
 H42B,H42C), C43(H43A,H43B,H43C), C45(H45A,H45B,H45C), C46(H46A,H46B,H46C),
 C47(H47A,H47B,H47C), C59(H59A,H59B,H59C), C60(H60A,H60B,H60C), C61(H61A,H61B,
 H61C), C55(H55A,H55B,H55C), C56(H56A,H56B,H56C), C57(H57A,H57B,H57C),
 C102(H10C,H10D,H10E), C104(H10H,H10I,H10J), C106(H10M,H10N,H10O), C108(H10R,
 H10S,H10T), C110(H11A,H11B,H11C), C112(H11F,H11G,H11H), C55A(H55D,H55E,H55F),
 C56A(H56D,H56E,H56F), C57A(H57D,H57E,H57F), C202(H20C,H20D,H20E), C204(H20H,
 H20I,H20J), C206(H20M,H20N,H20O), C208(H20R,H20S,H20T), C210(H21A,H21B,H21C),
 C212(H21F,H21G,H21H)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Gd1 Gd 0.69608(2) 0.34224(2) 0.78266(2) 0.01832(8) Uani 0.9293(11) 1 d . U P .
.
Si1 Si 0.7157(2) 0.69443(12) 0.51249(6) 0.0424(4) Uani 1 1 d . U . . .
N1 N 0.8073(4) 0.3496(3) 0.85441(15) 0.0239(8) Uani 1 1 d . U . . .
N2 N 0.7507(4) 0.4967(3) 0.75901(15) 0.0254(8) Uani 1 1 d . U . . .
N3 N 0.8292(4) 0.3352(3) 0.70849(15) 0.0267(8) Uani 1 1 d . U . . .
N4 N 0.8883(4) 0.1886(3) 0.80370(15) 0.0239(8) Uani 1 1 d . U . . .
C1 C 0.8479(5) 0.2710(4) 0.89548(17) 0.0238(9) Uani 1 1 d . U . . .
C2 C 0.8366(5) 0.3066(3) 0.93907(17) 0.0231(9) Uani 1 1 d . U . . .
H2 H 0.8567 0.2669 0.9721 0.028 Uiso 1 1 calc R . . . .
C3 C 0.7922(5) 0.4070(3) 0.92461(17) 0.0238(9) Uani 1 1 d . U . . .
H3 H 0.7741 0.4514 0.9455 0.029 Uiso 1 1 calc R . . . .
C4 C 0.7773(5) 0.4343(3) 0.87169(18) 0.0236(9) Uani 1 1 d . U . . .
C5 C 0.7401(5) 0.5327(3) 0.84146(18) 0.0235(9) Uani 1 1 d . U . . .
C6 C 0.7359(5) 0.5599(3) 0.78921(18) 0.0252(9) Uani 1 1 d . U . . .
C7 C 0.7235(5) 0.6593(4) 0.75926(19) 0.0284(10) Uani 1 1 d . U . . .
H7 H 0.7122 0.7167 0.7710 0.034 Uiso 1 1 calc R . . . .
C8 C 0.7311(6) 0.6548(4) 0.7117(2) 0.0311(11) Uani 1 1 d . U . . .
H8 H 0.7257 0.7084 0.6835 0.037 Uiso 1 1 calc R . . . .
C9 C 0.7490(5) 0.5524(4) 0.71175(19) 0.0282(10) Uani 1 1 d . U . . .
C10 C 0.7690(6) 0.5155(4) 0.66899(19) 0.0325(11) Uani 1 1 d . U . . .
C11 C 0.8118(6) 0.4137(4) 0.66807(19) 0.0324(11) Uani 1 1 d . U . . .
C12 C 0.8560(7) 0.3791(4) 0.6243(2) 0.0417(14) Uani 1 1 d . U . . .
H12 H 0.8527 0.4191 0.5914 0.050 Uiso 1 1 calc R . . . .
C13 C 0.9032(7) 0.2788(4) 0.6388(2) 0.0406(14) Uani 1 1 d . U . . .
H13 H 0.9399 0.2346 0.6181 0.049 Uiso 1 1 calc R . . . .
C14 C 0.8874(6) 0.2511(4) 0.69177(19) 0.0302(11) Uani 1 1 d . U . . .
C15 C 0.9324(5) 0.1529(4) 0.72133(18) 0.0274(10) Uani 1 1 d . U . . .
C16 C 0.9351(5) 0.1242(3) 0.77356(18) 0.0242(9) Uani 1 1 d . U . . .
C17 C 0.9924(5) 0.0245(3) 0.80374(18) 0.0257(10) Uani 1 1 d . U . . .
H17 H 1.0298 -0.0342 0.7922 0.031 Uiso 1 1 calc R . . . .
C18 C 0.9832(5) 0.0295(4) 0.85121(18) 0.0253(9) Uani 1 1 d . U . . .
H18 H 1.0131 -0.0249 0.8795 0.030 Uiso 1 1 calc R . . . .
C19 C 0.9196(5) 0.1326(3) 0.85104(17) 0.0242(9) Uani 1 1 d . U . . .
C20 C 0.8989(5) 0.1696(3) 0.89391(17) 0.0235(9) Uani 1 1 d . U . . .
C21 C 0.9413(5) 0.0979(3) 0.93999(18) 0.0244(9) Uani 1 1 d . U . . .
C22 C 0.9787(5) 0.0357(3) 0.97838(17) 0.0252(10) Uani 1 1 d . U . . .
C23 C 0.7499(6) 0.5857(4) 0.6214(2) 0.0360(12) Uani 1 1 d . U . . .
C24 C 0.7336(7) 0.6376(4) 0.5799(2) 0.0408(13) Uani 1 1 d . U . . .
C25 C 0.8297(8) 0.7748(5) 0.4963(2) 0.0498(15) Uani 1 1 d . U . . .
H25 H 0.8062 0.8190 0.5197 0.060 Uiso 1 1 calc R . . . .
C26 C 0.9813(8) 0.7151(6) 0.5055(3) 0.0596(18) Uani 1 1 d . U . . .
H26A H 0.9958 0.6748 0.5398 0.089 Uiso 1 1 calc GR . . . .
H26B H 1.0352 0.7609 0.4996 0.089 Uiso 1 1 calc GR . . . .
H26C H 1.0105 0.6713 0.4829 0.089 Uiso 1 1 calc GR . . . .
C27 C 0.8050(9) 0.8450(6) 0.4438(3) 0.066(2) Uani 1 1 d . U . . .
H27A H 0.8335 0.8055 0.4192 0.098 Uiso 1 1 calc GR . . . .
H27B H 0.8587 0.8906 0.4399 0.098 Uiso 1 1 calc GR . . . .
H27C H 0.7073 0.8835 0.4388 0.098 Uiso 1 1 calc GR . . . .
C28 C 0.7815(8) 0.5820(5) 0.4844(2) 0.0500(15) Uani 1 1 d . U . . .
H28 H 0.8703 0.5396 0.5021 0.060 Uiso 1 1 calc R . . . .
C29 C 0.6867(9) 0.5161(6) 0.4952(3) 0.0607(19) Uani 1 1 d . U . . .
H29A H 0.6580 0.5082 0.5298 0.091 Uiso 1 1 calc GR . . . .
H29B H 0.7367 0.4504 0.4896 0.091 Uiso 1 1 calc GR . . . .
H29C H 0.6057 0.5479 0.4732 0.091 Uiso 1 1 calc GR . . . .
C30 C 0.8156(9) 0.6055(6) 0.4295(3) 0.064(2) Uani 1 1 d . U . . .
H30A H 0.7322 0.6480 0.4101 0.097 Uiso 1 1 calc GR . . . .
H30B H 0.8526 0.5433 0.4189 0.097 Uiso 1 1 calc GR . . . .
H30C H 0.8840 0.6402 0.4242 0.097 Uiso 1 1 calc GR . . . .
C31 C 0.5339(8) 0.7733(5) 0.4982(3) 0.0594(18) Uani 1 1 d . U . . .
H31 H 0.5220 0.7971 0.4614 0.071 Uiso 1 1 calc R . . . .
C32 C 0.4290(9) 0.7208(7) 0.5178(4) 0.078(3) Uani 1 1 d . U . . .
H32A H 0.4382 0.6685 0.5006 0.118 Uiso 1 1 calc GR . . . .
H32B H 0.3364 0.7691 0.5118 0.118 Uiso 1 1 calc GR . . . .
H32C H 0.4447 0.6908 0.5534 0.118 Uiso 1 1 calc GR . . . .
C33 C 0.5020(10) 0.8649(6) 0.5192(4) 0.078(2) Uani 1 1 d . U . . .
H33A H 0.5294 0.8436 0.5543 0.117 Uiso 1 1 calc GR . . . .
H33B H 0.4034 0.9012 0.5157 0.117 Uiso 1 1 calc GR . . . .
H33C H 0.5530 0.9085 0.5009 0.117 Uiso 1 1 calc GR . . . .
C34 C 0.7066(5) 0.6147(3) 0.86768(18) 0.0235(9) Uani 1 1 d . U . . .
C35 C 0.5708(5) 0.6745(3) 0.86825(19) 0.0253(9) Uani 1 1 d . U . . .
H35 H 0.5026 0.6661 0.8501 0.030 Uiso 1 1 calc R . . . .
C36 C 0.5339(5) 0.7468(3) 0.89524(18) 0.0253(9) Uani 1 1 d . U . . .
C37 C 0.6377(5) 0.7587(4) 0.92023(19) 0.0278(10) Uani 1 1 d . U . . .
H37 H 0.6142 0.8087 0.9381 0.033 Uiso 1 1 calc R . . . .
C38 C 0.7738(5) 0.7005(4) 0.91991(19) 0.0268(10) Uani 1 1 d . U . . .
C39 C 0.8072(5) 0.6281(4) 0.89342(18) 0.0256(9) Uani 1 1 d . U . . .
H39 H 0.8998 0.5871 0.8929 0.031 Uiso 1 1 calc R . . . .
C40 C 0.3839(5) 0.8110(4) 0.8986(2) 0.0339(11) Uani 1 1 d . U . . .
C41 C 0.2850(6) 0.7824(5) 0.8722(3) 0.0514(17) Uani 1 1 d . U . . .
H41A H 0.3027 0.7964 0.8366 0.077 Uiso 1 1 calc GR . . . .
H41B H 0.1906 0.8211 0.8778 0.077 Uiso 1 1 calc GR . . . .
H41C H 0.2979 0.7111 0.8851 0.077 Uiso 1 1 calc GR . . . .
C42 C 0.3433(8) 0.7964(6) 0.9528(3) 0.064(2) Uani 1 1 d . U . . .
H42A H 0.3571 0.7256 0.9677 0.095 Uiso 1 1 calc GR . . . .
H42B H 0.2464 0.8348 0.9549 0.095 Uiso 1 1 calc GR . . . .
H42C H 0.4001 0.8195 0.9706 0.095 Uiso 1 1 calc GR . . . .
C43 C 0.3682(6) 0.9200(4) 0.8763(3) 0.0439(14) Uani 1 1 d . U . . .
H43A H 0.4297 0.9398 0.8938 0.066 Uiso 1 1 calc GR . . . .
H43B H 0.2731 0.9607 0.8795 0.066 Uiso 1 1 calc GR . . . .
H43C H 0.3915 0.9299 0.8412 0.066 Uiso 1 1 calc GR . . . .
C44 C 0.8830(6) 0.7160(4) 0.9491(2) 0.0331(11) Uani 1 1 d . U . . .
C45 C 0.8421(7) 0.7067(7) 1.0029(3) 0.0597(19) Uani 1 1 d . U . . .
H45A H 0.7557 0.7595 1.0049 0.090 Uiso 1 1 calc GR . . . .
H45B H 0.9141 0.7132 1.0217 0.090 Uiso 1 1 calc GR . . . .
H45C H 0.8299 0.6415 1.0167 0.090 Uiso 1 1 calc GR . . . .
C46 C 0.8942(7) 0.8191(5) 0.9262(3) 0.0544(18) Uani 1 1 d . U . . .
H46A H 0.9233 0.8238 0.8918 0.082 Uiso 1 1 calc GR . . . .
H46B H 0.9619 0.8304 0.9451 0.082 Uiso 1 1 calc GR . . . .
H46C H 0.8047 0.8696 0.9270 0.082 Uiso 1 1 calc GR . . . .
C47 C 1.0248(6) 0.6399(5) 0.9475(2) 0.0411(13) Uani 1 1 d . U . . .
H47A H 1.0200 0.5725 0.9612 0.062 Uiso 1 1 calc GR . . . .
H47B H 1.0902 0.6516 0.9673 0.062 Uiso 1 1 calc GR . . . .
H47C H 1.0550 0.6470 0.9132 0.062 Uiso 1 1 calc GR . . . .
C48 C 0.9899(5) 0.0720(4) 0.69521(18) 0.0268(10) Uani 1 1 d . U . . .
C49 C 1.1285(6) 0.0171(4) 0.70006(19) 0.0302(10) Uani 1 1 d . U . . .
H49 H 1.1867 0.0328 0.7194 0.036 Uiso 1 1 calc R . . . .
C50 C 1.1845(6) -0.0613(4) 0.67682(19) 0.0314(10) Uani 1 1 d . U . . .
C51 C 1.0962(6) -0.0809(4) 0.6483(2) 0.0331(11) Uani 1 1 d . U . . .
H51 H 1.1316 -0.1345 0.6329 0.040 Uiso 1 1 calc R . . . .
C52 C 0.9613(6) -0.0264(4) 0.64164(19) 0.0322(11) Uani 1 1 d . U . . .
C53 C 0.9061(6) 0.0511(4) 0.66615(19) 0.0312(11) Uani 1 1 d . U . . .
H53 H 0.8113 0.0886 0.6625 0.037 Uiso 1 1 calc R . . . .
C58 C 0.8659(7) -0.0493(5) 0.6087(2) 0.0411(13) Uani 1 1 d . U . . .
C59 C 0.9197(9) -0.0331(6) 0.5559(2) 0.0579(18) Uani 1 1 d . U . . .
H59A H 0.9206 0.0357 0.5441 0.087 Uiso 1 1 calc GR . . . .
H59B H 0.8598 -0.0454 0.5342 0.087 Uiso 1 1 calc GR . . . .
H59C H 1.0130 -0.0792 0.5556 0.087 Uiso 1 1 calc GR . . . .
C60 C 0.8706(9) -0.1564(6) 0.6283(3) 0.063(2) Uani 1 1 d . U . . .
H60A H 0.9640 -0.2006 0.6257 0.095 Uiso 1 1 calc GR . . . .
H60B H 0.8072 -0.1706 0.6088 0.095 Uiso 1 1 calc GR . . . .
H60C H 0.8437 -0.1676 0.6630 0.095 Uiso 1 1 calc GR . . . .
C61 C 0.7178(9) 0.0168(7) 0.6063(3) 0.074(2) Uani 1 1 d . U . . .
H61A H 0.6779 0.0045 0.6391 0.111 Uiso 1 1 calc GR . . . .
H61B H 0.6662 0.0019 0.5827 0.111 Uiso 1 1 calc GR . . . .
H61C H 0.7136 0.0869 0.5954 0.111 Uiso 1 1 calc GR . . . .
C54 C 1.330(3) -0.123(3) 0.6846(16) 0.035(3) Uani 0.565(9) 1 d . U P A 1
C55 C 1.3677(12) -0.1605(9) 0.7400(4) 0.047(3) Uani 0.565(9) 1 d . U P A 1
H55A H 1.3564 -0.1034 0.7538 0.070 Uiso 0.565(9) 1 calc GR . P A 1
H55B H 1.4634 -0.2039 0.7444 0.070 Uiso 0.565(9) 1 calc GR . P A 1
H55C H 1.3077 -0.1979 0.7571 0.070 Uiso 0.565(9) 1 calc GR . P A 1
C56 C 1.4247(13) -0.0633(10) 0.6607(5) 0.059(3) Uani 0.565(9) 1 d . U P A 1
H56A H 1.4066 -0.0400 0.6249 0.088 Uiso 0.565(9) 1 calc GR . P A 1
H56B H 1.5205 -0.1058 0.6672 0.088 Uiso 0.565(9) 1 calc GR . P A 1
H56C H 1.4076 -0.0058 0.6748 0.088 Uiso 0.565(9) 1 calc GR . P A 1
C57 C 1.3685(13) -0.2190(9) 0.6653(5) 0.053(3) Uani 0.565(9) 1 d . U P A 1
H57A H 1.3175 -0.2626 0.6834 0.080 Uiso 0.565(9) 1 calc GR . P A 1
H57B H 1.4672 -0.2540 0.6703 0.080 Uiso 0.565(9) 1 calc GR . P A 1
H57C H 1.3452 -0.2006 0.6299 0.080 Uiso 0.565(9) 1 calc GR . P A 1
Co1 Co 0.2978(3) 0.30916(19) 0.79293(13) 0.0435(6) Uani 0.644(3) 1 d D U P B 1
P101 P 0.4319(2) 0.27707(18) 0.85559(10) 0.0383(6) Uani 0.644(3) 1 d D U P B 1
P102 P 0.4629(2) 0.23058(17) 0.75147(10) 0.0360(6) Uani 0.644(3) 1 d D U P B 1
P103 P 0.3376(3) 0.4478(2) 0.75995(17) 0.0730(11) Uani 0.644(3) 1 d D U P B 1
O101 O 0.5802(6) 0.2707(5) 0.8469(2) 0.0340(14) Uani 0.644(3) 1 d D U P B 1
O102 O 0.5930(5) 0.2566(4) 0.7459(2) 0.0310(12) Uani 0.644(3) 1 d D U P B 1
O103 O 0.4755(5) 0.4552(4) 0.7675(2) 0.0326(13) Uani 0.644(3) 1 d D U P B 1
O104 O 0.3708(10) 0.3549(7) 0.8893(4) 0.0595(18) Uani 0.644(3) 1 d D U P B 1
O105 O 0.4490(15) 0.1551(9) 0.8933(5) 0.083(3) Uani 0.644(3) 1 d D U P B 1
O106 O 0.5009(6) 0.1114(5) 0.7696(3) 0.0425(12) Uani 0.644(3) 1 d D U P B 1
O107 O 0.3981(8) 0.2521(6) 0.6962(3) 0.0494(13) Uani 0.644(3) 1 d D U P B 1
O108 O 0.3201(12) 0.4577(8) 0.6979(4) 0.089(3) Uani 0.644(3) 1 d D U P B 1
O109 O 0.2229(10) 0.5474(8) 0.7547(5) 0.094(3) Uani 0.644(3) 1 d D U P B 1
C101 C 0.4535(12) 0.4117(10) 0.8990(6) 0.0595(18) Uani 0.644(3) 1 d D U P B 1
H10A H 0.4619 0.4608 0.8682 0.071 Uiso 0.644(3) 1 calc R . P B 1
H10B H 0.5467 0.3663 0.9103 0.071 Uiso 0.644(3) 1 calc R . P B 1
C102 C 0.3892(12) 0.4639(10) 0.9374(6) 0.0595(18) Uani 0.644(3) 1 d D U P B 1
H10C H 0.2892 0.4864 0.9332 0.089 Uiso 0.644(3) 1 calc GR . P B 1
H10D H 0.4202 0.5216 0.9343 0.089 Uiso 0.644(3) 1 calc GR . P B 1
H10E H 0.4154 0.4183 0.9702 0.089 Uiso 0.644(3) 1 calc GR . P B 1
C103 C 0.5295(19) 0.1448(13) 0.9366(6) 0.083(3) Uani 0.644(3) 1 d D U P B 1
H10F H 0.5911 0.1858 0.9276 0.100 Uiso 0.644(3) 1 calc R . P B 1
H10G H 0.4679 0.1676 0.9628 0.100 Uiso 0.644(3) 1 calc R . P B 1
C104 C 0.6094(18) 0.0403(11) 0.9542(6) 0.083(3) Uani 0.644(3) 1 d D U P B 1
H10H H 0.6745 0.0198 0.9288 0.125 Uiso 0.644(3) 1 calc GR . P B 1
H10I H 0.5478 -0.0001 0.9611 0.125 Uiso 0.644(3) 1 calc GR . P B 1
H10J H 0.6598 0.0307 0.9846 0.125 Uiso 0.644(3) 1 calc GR . P B 1
C105 C 0.6103(12) 0.0521(8) 0.8028(5) 0.0425(12) Uani 0.644(3) 1 d D U P B 1
H10K H 0.5745 0.0352 0.8365 0.051 Uiso 0.644(3) 1 calc R . P B 1
H10L H 0.6739 0.0898 0.8036 0.051 Uiso 0.644(3) 1 calc R . P B 1
C106 C 0.6864(10) -0.0420(8) 0.7875(5) 0.0425(12) Uani 0.644(3) 1 d D U P B 1
H10M H 0.7253 -0.0253 0.7548 0.064 Uiso 0.644(3) 1 calc GR . P B 1
H10N H 0.6231 -0.0788 0.7862 0.064 Uiso 0.644(3) 1 calc GR . P B 1
H10O H 0.7605 -0.0834 0.8117 0.064 Uiso 0.644(3) 1 calc GR . P B 1
C107 C 0.4858(11) 0.2089(9) 0.6614(5) 0.0494(13) Uani 0.644(3) 1 d D U P B 1
H10P H 0.4329 0.1893 0.6397 0.059 Uiso 0.644(3) 1 calc R . P B 1
H10Q H 0.5589 0.1485 0.6787 0.059 Uiso 0.644(3) 1 calc R . P B 1
C108 C 0.5521(10) 0.2880(8) 0.6289(4) 0.0494(13) Uani 0.644(3) 1 d D U P B 1
H10R H 0.6155 0.2578 0.6054 0.074 Uiso 0.644(3) 1 calc GR . P B 1
H10S H 0.6023 0.3084 0.6506 0.074 Uiso 0.644(3) 1 calc GR . P B 1
H10T H 0.4795 0.3464 0.6107 0.074 Uiso 0.644(3) 1 calc GR . P B 1
C109 C 0.3568(16) 0.5336(11) 0.6615(6) 0.089(3) Uani 0.644(3) 1 d D U P B 1
H10U H 0.4224 0.5029 0.6382 0.106 Uiso 0.644(3) 1 calc R . P B 1
H10V H 0.4019 0.5678 0.6780 0.106 Uiso 0.644(3) 1 calc R . P B 1
C110 C 0.2346(17) 0.6054(13) 0.6345(7) 0.089(3) Uani 0.644(3) 1 d D U P B 1
H11A H 0.2577 0.6296 0.6000 0.133 Uiso 0.644(3) 1 calc GR . P B 1
H11B H 0.1995 0.6616 0.6498 0.133 Uiso 0.644(3) 1 calc GR . P B 1
H11C H 0.1643 0.5734 0.6354 0.133 Uiso 0.644(3) 1 calc GR . P B 1
C111 C 0.2103(18) 0.5873(14) 0.7963(9) 0.094(3) Uani 0.644(3) 1 d D U P B 1
H11D H 0.2904 0.6084 0.7998 0.113 Uiso 0.644(3) 1 calc R . P B 1
H11E H 0.2017 0.5381 0.8270 0.113 Uiso 0.644(3) 1 calc R . P B 1
C112 C 0.079(2) 0.6772(16) 0.7849(12) 0.094(3) Uani 0.644(3) 1 d D U P B 1
H11F H 0.0410 0.6834 0.7525 0.141 Uiso 0.644(3) 1 calc GR . P B 1
H11G H 0.0997 0.7379 0.7846 0.141 Uiso 0.644(3) 1 calc GR . P B 1
H11H H 0.0112 0.6676 0.8105 0.141 Uiso 0.644(3) 1 calc GR . P B 1
C121 C 0.1172(8) 0.3395(7) 0.7541(3) 0.0741(17) Uani 0.644(3) 1 d D U P B 1
H121 H 0.0993 0.3746 0.7202 0.089 Uiso 0.644(3) 1 calc R . P B 1
C122 C 0.0884(7) 0.3825(5) 0.7952(4) 0.0741(17) Uani 0.644(3) 1 d DG U P B 1
H122 H 0.0478 0.4514 0.7938 0.089 Uiso 0.644(3) 1 calc R . P B 1
C123 C 0.1311(8) 0.3045(8) 0.8389(3) 0.0741(17) Uani 0.644(3) 1 d DG U P B 1
H123 H 0.1239 0.3120 0.8718 0.089 Uiso 0.644(3) 1 calc R . P B 1
C124 C 0.1862(7) 0.2132(5) 0.8248(4) 0.0741(17) Uani 0.644(3) 1 d DG U P B 1
H124 H 0.2225 0.1490 0.8465 0.089 Uiso 0.644(3) 1 calc R . P B 1
C125 C 0.1777(8) 0.2349(6) 0.7723(4) 0.0741(17) Uani 0.644(3) 1 d DG U P B 1
H125 H 0.2072 0.1877 0.7529 0.089 Uiso 0.644(3) 1 calc R . P B 1
C54A C 1.344(4) -0.128(4) 0.685(2) 0.038(4) Uani 0.435(9) 1 d . U P A 2
C55A C 1.4193(14) -0.0863(11) 0.7119(6) 0.043(3) Uani 0.435(9) 1 d . U P A 2
H55D H 1.3902 -0.0137 0.6993 0.065 Uiso 0.435(9) 1 calc GR . P A 2
H55E H 1.5180 -0.1141 0.7069 0.065 Uiso 0.435(9) 1 calc GR . P A 2
H55F H 1.4003 -0.1034 0.7473 0.065 Uiso 0.435(9) 1 calc GR . P A 2
C56A C 1.4001(16) -0.1315(13) 0.6349(6) 0.053(4) Uani 0.435(9) 1 d . U P A 2
H56D H 1.3471 -0.1588 0.6179 0.079 Uiso 0.435(9) 1 calc GR . P A 2
H56E H 1.4963 -0.1741 0.6381 0.079 Uiso 0.435(9) 1 calc GR . P A 2
H56F H 1.3941 -0.0640 0.6158 0.079 Uiso 0.435(9) 1 calc GR . P A 2
C57A C 1.3427(15) -0.2294(11) 0.7149(6) 0.046(3) Uani 0.435(9) 1 d . U P A 2
H57D H 1.2919 -0.2229 0.7454 0.068 Uiso 0.435(9) 1 calc GR . P A 2
H57E H 1.4372 -0.2730 0.7233 0.068 Uiso 0.435(9) 1 calc GR . P A 2
H57F H 1.2984 -0.2581 0.6953 0.068 Uiso 0.435(9) 1 calc GR . P A 2
Co1B Co 0.2941(7) 0.3151(5) 0.8066(3) 0.072(2) Uani 0.356(3) 1 d D U P B 2
P201 P 0.4780(5) 0.1986(4) 0.8361(2) 0.0582(15) Uani 0.356(3) 1 d D U P B 2
P202 P 0.3807(5) 0.3555(4) 0.73406(19) 0.0485(12) Uani 0.356(3) 1 d D U P B 2
P203 P 0.3616(4) 0.4197(4) 0.83234(19) 0.0509(13) Uani 0.356(3) 1 d D U P B 2
O201 O 0.6064(13) 0.2265(11) 0.8344(6) 0.059(3) Uani 0.356(3) 1 d D U P B 2
O202 O 0.5283(11) 0.3485(11) 0.7308(5) 0.055(3) Uani 0.356(3) 1 d D U P B 2
O203 O 0.4926(10) 0.4402(9) 0.8119(5) 0.046(3) Uani 0.356(3) 1 d D U P B 2
O204 O 0.4190(18) 0.1825(11) 0.8916(5) 0.047(2) Uani 0.356(3) 1 d D U P B 2
O205 O 0.5058(13) 0.1080(11) 0.8047(7) 0.072(3) Uani 0.356(3) 1 d D U P B 2
O206 O 0.338(2) 0.3077(16) 0.6959(8) 0.113(5) Uani 0.356(3) 1 d D U P B 2
O207 O 0.2716(15) 0.4847(11) 0.7158(6) 0.068(3) Uani 0.356(3) 1 d D U P B 2
O208 O 0.2374(9) 0.5165(9) 0.8163(5) 0.048(2) Uani 0.356(3) 1 d D U P B 2
O209 O 0.365(2) 0.3933(16) 0.8897(6) 0.086(5) Uani 0.356(3) 1 d D U P B 2
C201 C 0.4896(18) 0.1426(14) 0.9376(7) 0.047(2) Uani 0.356(3) 1 d D U P B 2
H20A H 0.4317 0.1144 0.9628 0.056 Uiso 0.356(3) 1 calc R . P B 2
H20B H 0.5098 0.1959 0.9483 0.056 Uiso 0.356(3) 1 calc R . P B 2
C202 C 0.6174(18) 0.0646(13) 0.9329(8) 0.047(2) Uani 0.356(3) 1 d D U P B 2
H20C H 0.6630 0.0875 0.9025 0.070 Uiso 0.356(3) 1 calc GR . P B 2
H20D H 0.5973 0.0044 0.9316 0.070 Uiso 0.356(3) 1 calc GR . P B 2
H20E H 0.6777 0.0496 0.9616 0.070 Uiso 0.356(3) 1 calc GR . P B 2
C203 C 0.638(2) 0.0302(18) 0.8136(12) 0.072(3) Uani 0.356(3) 1 d D U P B 2
H20F H 0.6470 -0.0080 0.8488 0.086 Uiso 0.356(3) 1 calc R . P B 2
H20G H 0.7129 0.0596 0.8063 0.086 Uiso 0.356(3) 1 calc R . P B 2
C204 C 0.645(2) -0.0356(19) 0.7812(12) 0.072(3) Uani 0.356(3) 1 d D U P B 2
H20H H 0.6378 0.0026 0.7466 0.107 Uiso 0.356(3) 1 calc GR . P B 2
H20I H 0.5694 -0.0635 0.7885 0.107 Uiso 0.356(3) 1 calc GR . P B 2
H20J H 0.7327 -0.0899 0.7870 0.107 Uiso 0.356(3) 1 calc GR . P B 2
C205 C 0.416(3) 0.212(2) 0.6927(14) 0.113(5) Uani 0.356(3) 1 d D U P B 2
H20K H 0.3578 0.1803 0.6802 0.136 Uiso 0.356(3) 1 calc R . P B 2
H20L H 0.4531 0.1699 0.7258 0.136 Uiso 0.356(3) 1 calc R . P B 2
C206 C 0.531(3) 0.221(3) 0.6577(14) 0.113(5) Uani 0.356(3) 1 d D U P B 2
H20M H 0.6145 0.1651 0.6699 0.170 Uiso 0.356(3) 1 calc GR . P B 2
H20N H 0.5473 0.2838 0.6556 0.170 Uiso 0.356(3) 1 calc GR . P B 2
H20O H 0.5061 0.2190 0.6248 0.170 Uiso 0.356(3) 1 calc GR . P B 2
C207 C 0.305(2) 0.5139(19) 0.6666(8) 0.068(3) Uani 0.356(3) 1 d D U P B 2
H20P H 0.3285 0.4560 0.6519 0.082 Uiso 0.356(3) 1 calc R . P B 2
H20Q H 0.3866 0.5357 0.6650 0.082 Uiso 0.356(3) 1 calc R . P B 2
C208 C 0.186(2) 0.600(2) 0.6357(11) 0.068(3) Uani 0.356(3) 1 d D U P B 2
H20R H 0.2231 0.6469 0.6123 0.103 Uiso 0.356(3) 1 calc GR . P B 2
H20S H 0.1228 0.6350 0.6579 0.103 Uiso 0.356(3) 1 calc GR . P B 2
H20T H 0.1356 0.5727 0.6175 0.103 Uiso 0.356(3) 1 calc GR . P B 2
C209 C 0.2308(16) 0.6159(13) 0.7927(9) 0.048(2) Uani 0.356(3) 1 d D U P B 2
H20U H 0.2685 0.6185 0.7590 0.057 Uiso 0.356(3) 1 calc R . P B 2
H20V H 0.2887 0.6372 0.8116 0.057 Uiso 0.356(3) 1 calc R . P B 2
C210 C 0.0914(19) 0.6849(18) 0.7890(12) 0.048(2) Uani 0.356(3) 1 d D U P B 2
H21A H 0.0818 0.7401 0.7594 0.072 Uiso 0.356(3) 1 calc GR . P B 2
H21B H 0.0717 0.7111 0.8185 0.072 Uiso 0.356(3) 1 calc GR . P B 2
H21C H 0.0267 0.6499 0.7865 0.072 Uiso 0.356(3) 1 calc GR . P B 2
C211 C 0.436(3) 0.436(3) 0.9141(9) 0.086(5) Uani 0.356(3) 1 d D U P B 2
H21D H 0.4395 0.4997 0.8922 0.103 Uiso 0.356(3) 1 calc R . P B 2
H21E H 0.5320 0.3905 0.9211 0.103 Uiso 0.356(3) 1 calc R . P B 2
C212 C 0.371(3) 0.453(3) 0.9610(10) 0.086(5) Uani 0.356(3) 1 d D U P B 2
H21F H 0.2797 0.5024 0.9539 0.129 Uiso 0.356(3) 1 calc GR . P B 2
H21G H 0.4275 0.4776 0.9782 0.129 Uiso 0.356(3) 1 calc GR . P B 2
H21H H 0.3632 0.3903 0.9820 0.129 Uiso 0.356(3) 1 calc GR . P B 2
C221 C 0.0851(12) 0.3856(9) 0.7935(6) 0.076(3) Uani 0.356(3) 1 d D U P B 2
H221 H 0.0400 0.4575 0.7769 0.091 Uiso 0.356(3) 1 calc R . P B 2
C222 C 0.1148(13) 0.3448(12) 0.8450(6) 0.076(3) Uani 0.356(3) 1 d DG U P B 2
H222 H 0.0970 0.3813 0.8696 0.091 Uiso 0.356(3) 1 calc R . P B 2
C223 C 0.1758(13) 0.2400(11) 0.8531(5) 0.076(3) Uani 0.356(3) 1 d DG U P B 2
H223 H 0.2059 0.1940 0.8842 0.091 Uiso 0.356(3) 1 calc R . P B 2
C224 C 0.1837(13) 0.2160(9) 0.8067(7) 0.076(3) Uani 0.356(3) 1 d DG U P B 2
H224 H 0.2202 0.1511 0.8013 0.091 Uiso 0.356(3) 1 calc R . P B 2
C225 C 0.1277(14) 0.3060(14) 0.7699(5) 0.076(3) Uani 0.356(3) 1 d DG U P B 2
H225 H 0.1201 0.3119 0.7354 0.091 Uiso 0.356(3) 1 calc R . P B 2
Gd1B Gd 1.0271(3) 0.3533(2) 0.78229(13) 0.0232(11) Uani 0.0707(11) 1 d . U P C
3


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Gd1 N1 2.418(4) . ?
Gd1 N2 2.427(4) . ?
Gd1 N3 2.417(4) . ?
Gd1 N4 2.431(4) . ?
Gd1 O101 2.306(6) . ?
Gd1 O102 2.332(5) . ?
Gd1 O103 2.325(5) . ?
Gd1 O201 2.326(12) . ?
Gd1 O202 2.294(11) . ?
Gd1 O203 2.355(10) . ?
Si1 C24 1.848(6) . ?
Si1 C25 1.879(7) . ?
Si1 C28 1.914(7) . ?
Si1 C31 1.860(8) . ?
N1 C1 1.375(6) . ?
N1 C4 1.381(6) . ?
N2 C6 1.374(6) . ?
N2 C9 1.361(6) . ?
N3 C11 1.362(6) . ?
N3 C14 1.369(6) . ?
N4 C16 1.376(6) . ?
N4 C19 1.361(6) . ?
C1 C2 1.428(6) . ?
C1 C20 1.417(6) . ?
C2 H2 0.9500 . ?
C2 C3 1.349(7) . ?
C3 H3 0.9500 . ?
C3 C4 1.434(7) . ?
C4 C5 1.413(6) . ?
C5 C6 1.411(7) . ?
C5 C34 1.500(6) . ?
C6 C7 1.452(7) . ?
C7 H7 0.9500 . ?
C7 C8 1.343(7) . ?
C8 H8 0.9500 . ?
C8 C9 1.451(7) . ?
C9 C10 1.412(7) . ?
C10 C11 1.419(7) . ?
C10 C23 1.437(7) . ?
C11 C12 1.436(8) . ?
C12 H12 0.9500 . ?
C12 C13 1.347(8) . ?
C13 H13 0.9500 . ?
C13 C14 1.443(7) . ?
C14 C15 1.405(7) . ?
C15 C16 1.411(7) . ?
C15 C48 1.490(6) . ?
C16 C17 1.437(6) . ?
C17 H17 0.9500 . ?
C17 C18 1.343(7) . ?
C18 H18 0.9500 . ?
C18 C19 1.438(6) . ?
C19 C20 1.414(7) . ?
C20 C21 1.425(6) . ?
C21 C22 1.205(7) . ?
C22 C22 1.367(9) 2_757 ?
C23 C24 1.199(8) . ?
C25 H25 1.0000 . ?
C25 C26 1.523(11) . ?
C25 C27 1.543(9) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28 1.0000 . ?
C28 C29 1.551(10) . ?
C28 C30 1.528(10) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31 1.0000 . ?
C31 C32 1.520(12) . ?
C31 C33 1.531(11) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 C35 1.390(7) . ?
C34 C39 1.391(7) . ?
C35 H35 0.9500 . ?
C35 C36 1.396(7) . ?
C36 C37 1.395(7) . ?
C36 C40 1.537(7) . ?
C37 H37 0.9500 . ?
C37 C38 1.385(7) . ?
C38 C39 1.389(7) . ?
C38 C44 1.538(7) . ?
C39 H39 0.9500 . ?
C40 C41 1.515(8) . ?
C40 C42 1.525(9) . ?
C40 C43 1.516(8) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 C45 1.520(9) . ?
C44 C46 1.521(8) . ?
C44 C47 1.528(8) . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 C49 1.388(7) . ?
C48 C53 1.376(7) . ?
C49 H49 0.9500 . ?
C49 C50 1.407(7) . ?
C50 C51 1.390(8) . ?
C50 C54 1.47(3) . ?
C50 C54A 1.61(4) . ?
C51 H51 0.9500 . ?
C51 C52 1.357(8) . ?
C52 C53 1.418(7) . ?
C52 C58 1.556(8) . ?
C53 H53 0.9500 . ?
C58 C59 1.529(9) . ?
C58 C60 1.510(9) . ?
C58 C61 1.513(10) . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C54 C55 1.53(4) . ?
C54 C56 1.53(5) . ?
C54 C57 1.56(4) . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
Co1 P101 2.161(4) . ?
Co1 P102 2.172(4) . ?
Co1 P103 2.162(4) . ?
Co1 C121 2.079(7) . ?
Co1 C122 2.080(7) . ?
Co1 C123 2.087(7) . ?
Co1 C124 2.090(7) . ?
Co1 C125 2.085(7) . ?
P101 O101 1.509(6) . ?
P101 O104 1.611(8) . ?
P101 O105 1.786(11) . ?
P102 O102 1.498(6) . ?
P102 O106 1.608(7) . ?
P102 O107 1.638(8) . ?
P103 O103 1.493(6) . ?
P103 O108 1.720(10) . ?
P103 O109 1.529(10) . ?
O104 C101 1.449(13) . ?
O105 C103 1.459(17) . ?
O106 C105 1.405(12) . ?
O107 C107 1.412(14) . ?
O108 C109 1.433(18) . ?
O109 C111 1.41(2) . ?
C101 H10A 0.9900 . ?
C101 H10B 0.9900 . ?
C101 C102 1.475(14) . ?
C102 H10C 0.9800 . ?
C102 H10D 0.9800 . ?
C102 H10E 0.9800 . ?
C103 H10F 0.9900 . ?
C103 H10G 0.9900 . ?
C103 C104 1.45(2) . ?
C104 H10H 0.9800 . ?
C104 H10I 0.9800 . ?
C104 H10J 0.9800 . ?
C105 H10K 0.9900 . ?
C105 H10L 0.9900 . ?
C105 C106 1.501(14) . ?
C106 H10M 0.9800 . ?
C106 H10N 0.9800 . ?
C106 H10O 0.9800 . ?
C107 H10P 0.9900 . ?
C107 H10Q 0.9900 . ?
C107 C108 1.590(15) . ?
C108 H10R 0.9800 . ?
C108 H10S 0.9800 . ?
C108 H10T 0.9800 . ?
C109 H10U 0.9900 . ?
C109 H10V 0.9900 . ?
C109 C110 1.455(16) . ?
C110 H11A 0.9800 . ?
C110 H11B 0.9800 . ?
C110 H11C 0.9800 . ?
C111 H11D 0.9900 . ?
C111 H11E 0.9900 . ?
C111 C112 1.53(2) . ?
C112 H11F 0.9800 . ?
C112 H11G 0.9800 . ?
C112 H11H 0.9800 . ?
C121 H121 0.9500 . ?
C121 C122 1.4200 . ?
C121 C125 1.4200 . ?
C122 H122 0.9500 . ?
C122 C123 1.4200 . ?
C123 H123 0.9500 . ?
C123 C124 1.4200 . ?
C124 H124 0.9500 . ?
C124 C125 1.4200 . ?
C125 H125 0.9500 . ?
C54A C55A 1.47(6) . ?
C54A C56A 1.49(6) . ?
C54A C57A 1.51(7) . ?
C55A H55D 0.9800 . ?
C55A H55E 0.9800 . ?
C55A H55F 0.9800 . ?
C56A H56D 0.9800 . ?
C56A H56E 0.9800 . ?
C56A H56F 0.9800 . ?
C57A H57D 0.9800 . ?
C57A H57E 0.9800 . ?
C57A H57F 0.9800 . ?
Co1B P201 2.135(8) . ?
Co1B P202 2.179(8) . ?
Co1B P203 2.163(8) . ?
Co1B C221 2.075(11) . ?
Co1B C222 2.053(11) . ?
Co1B C223 2.079(11) . ?
Co1B C224 2.117(11) . ?
Co1B C225 2.114(11) . ?
P201 O201 1.502(11) . ?
P201 O204 1.618(14) . ?
P201 O205 1.713(15) . ?
P202 O202 1.490(11) . ?
P202 O206 1.571(14) . ?
P202 O207 1.817(14) . ?
P203 O203 1.523(10) . ?
P203 O208 1.555(11) . ?
P203 O209 1.548(15) . ?
O204 C201 1.406(19) . ?
O205 C203 1.450(19) . ?
O206 C205 1.40(2) . ?
O207 C207 1.38(2) . ?
O208 C209 1.417(18) . ?
O209 C211 1.40(2) . ?
C201 H20A 0.9900 . ?
C201 H20B 0.9900 . ?
C201 C202 1.460(19) . ?
C202 H20C 0.9800 . ?
C202 H20D 0.9800 . ?
C202 H20E 0.9800 . ?
C203 H20F 0.9900 . ?
C203 H20G 0.9900 . ?
C203 C204 1.47(3) . ?
C204 H20H 0.9800 . ?
C204 H20I 0.9800 . ?
C204 H20J 0.9800 . ?
C205 H20K 0.9900 . ?
C205 H20L 0.9900 . ?
C205 C206 1.51(2) . ?
C206 H20M 0.9800 . ?
C206 H20N 0.9800 . ?
C206 H20O 0.9800 . ?
C207 H20P 0.9900 . ?
C207 H20Q 0.9900 . ?
C207 C208 1.56(2) . ?
C208 H20R 0.9800 . ?
C208 H20S 0.9800 . ?
C208 H20T 0.9800 . ?
C209 H20U 0.9900 . ?
C209 H20V 0.9900 . ?
C209 C210 1.455(18) . ?
C210 H21A 0.9800 . ?
C210 H21B 0.9800 . ?
C210 H21C 0.9800 . ?
C211 H21D 0.9900 . ?
C211 H21E 0.9900 . ?
C211 C212 1.48(2) . ?
C212 H21F 0.9800 . ?
C212 H21G 0.9800 . ?
C212 H21H 0.9800 . ?
C221 H221 1.0000 . ?
C221 C222 1.4200 . ?
C221 C225 1.4200 . ?
C222 H222 0.9500 . ?
C222 C223 1.4200 . ?
C223 H223 0.9500 . ?
C223 C224 1.4200 . ?
C224 H224 0.9500 . ?
C224 C225 1.4200 . ?
C225 H225 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Gd1 N2 74.11(13) . . ?
N1 Gd1 N4 74.26(13) . . ?
N2 Gd1 N4 116.82(14) . . ?
N3 Gd1 N1 117.22(14) . . ?
N3 Gd1 N2 74.42(14) . . ?
N3 Gd1 N4 73.87(13) . . ?
O101 Gd1 N1 77.87(19) . . ?
O101 Gd1 N2 135.1(2) . . ?
O101 Gd1 N3 150.5(2) . . ?
O101 Gd1 N4 87.58(18) . . ?
O101 Gd1 O102 76.7(2) . . ?
O101 Gd1 O103 79.3(2) . . ?
O102 Gd1 N1 148.72(18) . . ?
O102 Gd1 N2 137.17(18) . . ?
O102 Gd1 N3 79.49(17) . . ?
O102 Gd1 N4 86.79(17) . . ?
O103 Gd1 N1 113.37(17) . . ?
O103 Gd1 N2 80.53(17) . . ?
O103 Gd1 N3 113.04(18) . . ?
O103 Gd1 N4 162.65(17) . . ?
O103 Gd1 O102 79.22(19) . . ?
O201 Gd1 N1 88.6(4) . . ?
O201 Gd1 N2 154.3(5) . . ?
O201 Gd1 N3 131.1(5) . . ?
O201 Gd1 N4 74.9(4) . . ?
O201 Gd1 O203 75.8(5) . . ?
O202 Gd1 N1 160.9(3) . . ?
O202 Gd1 N2 110.0(4) . . ?
O202 Gd1 N3 81.5(3) . . ?
O202 Gd1 N4 117.3(4) . . ?
O202 Gd1 O201 80.6(5) . . ?
O202 Gd1 O203 76.1(4) . . ?
O203 Gd1 N1 86.0(3) . . ?
O203 Gd1 N2 84.0(3) . . ?
O203 Gd1 N3 141.3(3) . . ?
O203 Gd1 N4 144.8(3) . . ?
C24 Si1 C25 107.8(3) . . ?
C24 Si1 C28 103.4(3) . . ?
C24 Si1 C31 108.1(3) . . ?
C25 Si1 C28 111.0(3) . . ?
C31 Si1 C25 109.5(3) . . ?
C31 Si1 C28 116.5(3) . . ?
C1 N1 Gd1 123.2(3) . . ?
C1 N1 C4 105.5(4) . . ?
C4 N1 Gd1 123.7(3) . . ?
C6 N2 Gd1 124.4(3) . . ?
C9 N2 Gd1 125.0(3) . . ?
C9 N2 C6 106.4(4) . . ?
C11 N3 Gd1 123.9(3) . . ?
C11 N3 C14 106.2(4) . . ?
C14 N3 Gd1 124.9(3) . . ?
C16 N4 Gd1 124.2(3) . . ?
C19 N4 Gd1 122.7(3) . . ?
C19 N4 C16 106.5(4) . . ?
N1 C1 C2 110.3(4) . . ?
N1 C1 C20 124.2(4) . . ?
C20 C1 C2 125.5(4) . . ?
C1 C2 H2 126.4 . . ?
C3 C2 C1 107.2(4) . . ?
C3 C2 H2 126.4 . . ?
C2 C3 H3 126.5 . . ?
C2 C3 C4 107.1(4) . . ?
C4 C3 H3 126.5 . . ?
N1 C4 C3 109.8(4) . . ?
N1 C4 C5 124.8(4) . . ?
C5 C4 C3 125.3(4) . . ?
C4 C5 C34 116.5(4) . . ?
C6 C5 C4 125.7(4) . . ?
C6 C5 C34 117.7(4) . . ?
N2 C6 C5 126.0(4) . . ?
N2 C6 C7 109.7(4) . . ?
C5 C6 C7 124.2(4) . . ?
C6 C7 H7 126.5 . . ?
C8 C7 C6 106.9(4) . . ?
C8 C7 H7 126.5 . . ?
C7 C8 H8 126.5 . . ?
C7 C8 C9 107.0(4) . . ?
C9 C8 H8 126.5 . . ?
N2 C9 C8 110.1(4) . . ?
N2 C9 C10 125.2(5) . . ?
C10 C9 C8 124.6(5) . . ?
C9 C10 C11 126.1(5) . . ?
C9 C10 C23 118.4(5) . . ?
C11 C10 C23 115.5(5) . . ?
N3 C11 C10 125.5(5) . . ?
N3 C11 C12 110.5(5) . . ?
C10 C11 C12 123.8(5) . . ?
C11 C12 H12 126.7 . . ?
C13 C12 C11 106.6(5) . . ?
C13 C12 H12 126.7 . . ?
C12 C13 H13 126.4 . . ?
C12 C13 C14 107.2(5) . . ?
C14 C13 H13 126.4 . . ?
N3 C14 C13 109.5(4) . . ?
N3 C14 C15 125.9(5) . . ?
C15 C14 C13 124.5(5) . . ?
C14 C15 C16 125.9(4) . . ?
C14 C15 C48 117.0(4) . . ?
C16 C15 C48 117.0(4) . . ?
N4 C16 C15 125.0(4) . . ?
N4 C16 C17 109.1(4) . . ?
C15 C16 C17 125.8(4) . . ?
C16 C17 H17 126.3 . . ?
C18 C17 C16 107.4(4) . . ?
C18 C17 H17 126.3 . . ?
C17 C18 H18 126.5 . . ?
C17 C18 C19 107.0(4) . . ?
C19 C18 H18 126.5 . . ?
N4 C19 C18 109.8(4) . . ?
N4 C19 C20 125.8(4) . . ?
C20 C19 C18 124.3(4) . . ?
C1 C20 C21 116.6(4) . . ?
C19 C20 C1 126.6(4) . . ?
C19 C20 C21 116.6(4) . . ?
C22 C21 C20 178.6(5) . . ?
C21 C22 C22 179.2(7) . 2_757 ?
C24 C23 C10 174.2(6) . . ?
C23 C24 Si1 168.8(5) . . ?
Si1 C25 H25 106.0 . . ?
C26 C25 Si1 112.8(5) . . ?
C26 C25 H25 106.0 . . ?
C26 C25 C27 110.7(6) . . ?
C27 C25 Si1 114.6(5) . . ?
C27 C25 H25 106.0 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si1 C28 H28 105.7 . . ?
C29 C28 Si1 112.4(5) . . ?
C29 C28 H28 105.7 . . ?
C30 C28 Si1 115.5(5) . . ?
C30 C28 H28 105.7 . . ?
C30 C28 C29 111.0(6) . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
Si1 C31 H31 107.9 . . ?
C32 C31 Si1 114.8(5) . . ?
C32 C31 H31 107.9 . . ?
C32 C31 C33 108.3(8) . . ?
C33 C31 Si1 109.8(6) . . ?
C33 C31 H31 107.9 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C35 C34 C5 118.8(4) . . ?
C35 C34 C39 119.8(4) . . ?
C39 C34 C5 121.3(4) . . ?
C34 C35 H35 119.7 . . ?
C34 C35 C36 120.6(5) . . ?
C36 C35 H35 119.7 . . ?
C35 C36 C40 121.9(5) . . ?
C37 C36 C35 117.9(4) . . ?
C37 C36 C40 120.2(4) . . ?
C36 C37 H37 118.7 . . ?
C38 C37 C36 122.5(5) . . ?
C38 C37 H37 118.7 . . ?
C37 C38 C39 118.3(5) . . ?
C37 C38 C44 120.0(5) . . ?
C39 C38 C44 121.7(5) . . ?
C34 C39 H39 119.6 . . ?
C38 C39 C34 120.8(4) . . ?
C38 C39 H39 119.6 . . ?
C41 C40 C36 112.5(4) . . ?
C41 C40 C42 107.0(6) . . ?
C41 C40 C43 108.8(5) . . ?
C42 C40 C36 109.3(5) . . ?
C43 C40 C36 109.8(4) . . ?
C43 C40 C42 109.3(5) . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C40 C42 H42A 109.5 . . ?
C40 C42 H42B 109.5 . . ?
C40 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C40 C43 H43A 109.5 . . ?
C40 C43 H43B 109.5 . . ?
C40 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C45 C44 C38 109.7(5) . . ?
C45 C44 C46 110.0(6) . . ?
C45 C44 C47 108.2(5) . . ?
C46 C44 C38 108.8(5) . . ?
C46 C44 C47 107.7(5) . . ?
C47 C44 C38 112.4(4) . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C44 C46 H46A 109.5 . . ?
C44 C46 H46B 109.5 . . ?
C44 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C44 C47 H47A 109.5 . . ?
C44 C47 H47B 109.5 . . ?
C44 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C49 C48 C15 120.2(5) . . ?
C53 C48 C15 120.3(5) . . ?
C53 C48 C49 119.5(5) . . ?
C48 C49 H49 119.4 . . ?
C48 C49 C50 121.2(5) . . ?
C50 C49 H49 119.4 . . ?
C49 C50 C54 121.0(17) . . ?
C49 C50 C54A 121(2) . . ?
C51 C50 C49 117.5(5) . . ?
C51 C50 C54 121.5(17) . . ?
C51 C50 C54A 122(2) . . ?
C50 C51 H51 118.8 . . ?
C52 C51 C50 122.5(5) . . ?
C52 C51 H51 118.8 . . ?
C51 C52 C53 119.2(5) . . ?
C51 C52 C58 121.1(5) . . ?
C53 C52 C58 119.7(5) . . ?
C48 C53 C52 120.0(5) . . ?
C48 C53 H53 120.0 . . ?
C52 C53 H53 120.0 . . ?
C59 C58 C52 107.9(5) . . ?
C60 C58 C52 108.8(5) . . ?
C60 C58 C59 110.0(6) . . ?
C60 C58 C61 108.5(7) . . ?
C61 C58 C52 114.3(5) . . ?
C61 C58 C59 107.3(6) . . ?
C58 C59 H59A 109.5 . . ?
C58 C59 H59B 109.5 . . ?
C58 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C58 C60 H60A 109.5 . . ?
C58 C60 H60B 109.5 . . ?
C58 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C58 C61 H61A 109.5 . . ?
C58 C61 H61B 109.5 . . ?
C58 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C50 C54 C55 111(3) . . ?
C50 C54 C56 111(3) . . ?
C50 C54 C57 115(3) . . ?
C55 C54 C57 105(3) . . ?
C56 C54 C55 106(2) . . ?
C56 C54 C57 108(2) . . ?
C54 C55 H55A 109.5 . . ?
C54 C55 H55B 109.5 . . ?
C54 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C54 C56 H56A 109.5 . . ?
C54 C56 H56B 109.5 . . ?
C54 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C54 C57 H57A 109.5 . . ?
C54 C57 H57B 109.5 . . ?
C54 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
P101 Co1 P102 92.49(13) . . ?
P101 Co1 P103 91.96(15) . . ?
P103 Co1 P102 90.83(16) . . ?
C121 Co1 P101 158.5(3) . . ?
C121 Co1 P102 106.3(3) . . ?
C121 Co1 P103 98.0(3) . . ?
C121 Co1 C122 39.93(12) . . ?
C121 Co1 C123 66.94(14) . . ?
C121 Co1 C124 66.88(14) . . ?
C121 Co1 C125 39.87(12) . . ?
C122 Co1 P101 121.2(3) . . ?
C122 Co1 P102 146.1(3) . . ?
C122 Co1 P103 91.7(3) . . ?
C122 Co1 C123 39.85(12) . . ?
C122 Co1 C124 66.86(15) . . ?
C122 Co1 C125 66.95(14) . . ?
C123 Co1 P101 91.6(3) . . ?
C123 Co1 P102 147.4(3) . . ?
C123 Co1 P103 121.4(3) . . ?
C123 Co1 C124 39.75(12) . . ?
C124 Co1 P101 97.9(3) . . ?
C124 Co1 P102 107.6(3) . . ?
C124 Co1 P103 158.5(3) . . ?
C125 Co1 P101 133.9(4) . . ?
C125 Co1 P102 87.5(2) . . ?
C125 Co1 P103 134.1(4) . . ?
C125 Co1 C123 66.83(14) . . ?
C125 Co1 C124 39.76(12) . . ?
O101 P101 Co1 119.4(3) . . ?
O101 P101 O104 106.7(5) . . ?
O101 P101 O105 101.3(5) . . ?
O104 P101 Co1 111.4(4) . . ?
O104 P101 O105 107.8(6) . . ?
O105 P101 Co1 109.4(5) . . ?
O102 P102 Co1 118.4(3) . . ?
O102 P102 O106 108.7(3) . . ?
O102 P102 O107 108.3(4) . . ?
O106 P102 Co1 113.2(3) . . ?
O106 P102 O107 100.9(4) . . ?
O107 P102 Co1 105.7(3) . . ?
O103 P103 Co1 119.1(3) . . ?
O103 P103 O108 107.0(6) . . ?
O103 P103 O109 112.6(5) . . ?
O108 P103 Co1 101.5(4) . . ?
O109 P103 Co1 120.4(5) . . ?
O109 P103 O108 89.6(6) . . ?
P101 O101 Gd1 134.3(4) . . ?
P102 O102 Gd1 137.0(3) . . ?
P103 O103 Gd1 134.9(3) . . ?
C101 O104 P101 119.2(7) . . ?
C103 O105 P101 105.0(11) . . ?
C105 O106 P102 122.3(6) . . ?
C107 O107 P102 117.2(7) . . ?
C109 O108 P103 120.3(10) . . ?
C111 O109 P103 113.9(10) . . ?
O104 C101 H10A 109.7 . . ?
O104 C101 H10B 109.7 . . ?
O104 C101 C102 109.9(9) . . ?
H10A C101 H10B 108.2 . . ?
C102 C101 H10A 109.7 . . ?
C102 C101 H10B 109.7 . . ?
C101 C102 H10C 109.5 . . ?
C101 C102 H10D 109.5 . . ?
C101 C102 H10E 109.5 . . ?
H10C C102 H10D 109.5 . . ?
H10C C102 H10E 109.5 . . ?
H10D C102 H10E 109.5 . . ?
O105 C103 H10F 110.1 . . ?
O105 C103 H10G 110.1 . . ?
H10F C103 H10G 108.4 . . ?
C104 C103 O105 107.9(14) . . ?
C104 C103 H10F 110.1 . . ?
C104 C103 H10G 110.1 . . ?
C103 C104 H10H 109.5 . . ?
C103 C104 H10I 109.5 . . ?
C103 C104 H10J 109.5 . . ?
H10H C104 H10I 109.5 . . ?
H10H C104 H10J 109.5 . . ?
H10I C104 H10J 109.5 . . ?
O106 C105 H10K 109.5 . . ?
O106 C105 H10L 109.5 . . ?
O106 C105 C106 110.5(9) . . ?
H10K C105 H10L 108.1 . . ?
C106 C105 H10K 109.5 . . ?
C106 C105 H10L 109.5 . . ?
C105 C106 H10M 109.5 . . ?
C105 C106 H10N 109.5 . . ?
C105 C106 H10O 109.5 . . ?
H10M C106 H10N 109.5 . . ?
H10M C106 H10O 109.5 . . ?
H10N C106 H10O 109.5 . . ?
O107 C107 H10P 109.9 . . ?
O107 C107 H10Q 109.9 . . ?
O107 C107 C108 109.0(9) . . ?
H10P C107 H10Q 108.3 . . ?
C108 C107 H10P 109.9 . . ?
C108 C107 H10Q 109.9 . . ?
C107 C108 H10R 109.5 . . ?
C107 C108 H10S 109.5 . . ?
C107 C108 H10T 109.5 . . ?
H10R C108 H10S 109.5 . . ?
H10R C108 H10T 109.5 . . ?
H10S C108 H10T 109.5 . . ?
O108 C109 H10U 109.7 . . ?
O108 C109 H10V 109.7 . . ?
O108 C109 C110 109.9(14) . . ?
H10U C109 H10V 108.2 . . ?
C110 C109 H10U 109.7 . . ?
C110 C109 H10V 109.7 . . ?
C109 C110 H11A 109.5 . . ?
C109 C110 H11B 109.5 . . ?
C109 C110 H11C 109.5 . . ?
H11A C110 H11B 109.5 . . ?
H11A C110 H11C 109.5 . . ?
H11B C110 H11C 109.5 . . ?
O109 C111 H11D 111.0 . . ?
O109 C111 H11E 111.0 . . ?
O109 C111 C112 103.6(16) . . ?
H11D C111 H11E 109.0 . . ?
C112 C111 H11D 111.0 . . ?
C112 C111 H11E 111.0 . . ?
C111 C112 H11F 109.5 . . ?
C111 C112 H11G 109.5 . . ?
C111 C112 H11H 109.5 . . ?
H11F C112 H11G 109.5 . . ?
H11F C112 H11H 109.5 . . ?
H11G C112 H11H 109.5 . . ?
Co1 C121 H121 125.2 . . ?
C122 C121 Co1 70.1(3) . . ?
C122 C121 H121 126.0 . . ?
C125 C121 Co1 70.3(3) . . ?
C125 C121 H121 126.0 . . ?
C125 C121 C122 108.0 . . ?
Co1 C122 H122 125.3 . . ?
C121 C122 Co1 70.0(3) . . ?
C121 C122 H122 126.0 . . ?
C123 C122 Co1 70.3(3) . . ?
C123 C122 C121 108.0 . . ?
C123 C122 H122 126.0 . . ?
Co1 C123 H123 125.5 . . ?
C122 C123 Co1 69.8(3) . . ?
C122 C123 H123 126.0 . . ?
C122 C123 C124 108.0 . . ?
C124 C123 Co1 70.2(3) . . ?
C124 C123 H123 126.0 . . ?
Co1 C124 H124 125.6 . . ?
C123 C124 Co1 70.0(3) . . ?
C123 C124 H124 126.0 . . ?
C123 C124 C125 108.0 . . ?
C125 C124 Co1 69.9(3) . . ?
C125 C124 H124 126.0 . . ?
Co1 C125 H125 125.5 . . ?
C121 C125 Co1 69.8(3) . . ?
C121 C125 H125 126.0 . . ?
C124 C125 Co1 70.3(3) . . ?
C124 C125 C121 108.0 . . ?
C124 C125 H125 126.0 . . ?
C55A C54A C50 112(4) . . ?
C55A C54A C56A 111(4) . . ?
C55A C54A C57A 111(4) . . ?
C56A C54A C50 106(3) . . ?
C56A C54A C57A 111(4) . . ?
C57A C54A C50 105(3) . . ?
C54A C55A H55D 109.5 . . ?
C54A C55A H55E 109.5 . . ?
C54A C55A H55F 109.5 . . ?
H55D C55A H55E 109.5 . . ?
H55D C55A H55F 109.5 . . ?
H55E C55A H55F 109.5 . . ?
C54A C56A H56D 109.5 . . ?
C54A C56A H56E 109.5 . . ?
C54A C56A H56F 109.5 . . ?
H56D C56A H56E 109.5 . . ?
H56D C56A H56F 109.5 . . ?
H56E C56A H56F 109.5 . . ?
C54A C57A H57D 109.5 . . ?
C54A C57A H57E 109.5 . . ?
C54A C57A H57F 109.5 . . ?
H57D C57A H57E 109.5 . . ?
H57D C57A H57F 109.5 . . ?
H57E C57A H57F 109.5 . . ?
P201 Co1B P202 93.8(3) . . ?
P201 Co1B P203 90.2(3) . . ?
P203 Co1B P202 91.1(3) . . ?
C221 Co1B P201 157.6(5) . . ?
C221 Co1B P202 103.0(5) . . ?
C221 Co1B P203 104.1(6) . . ?
C221 Co1B C223 67.2(2) . . ?
C221 Co1B C224 66.5(2) . . ?
C221 Co1B C225 39.62(19) . . ?
C222 Co1B P201 123.4(6) . . ?
C222 Co1B P202 142.6(6) . . ?
C222 Co1B P203 92.7(5) . . ?
C222 Co1B C221 40.24(19) . . ?
C222 Co1B C223 40.19(19) . . ?
C222 Co1B C224 66.9(2) . . ?
C222 Co1B C225 66.9(2) . . ?
C223 Co1B P201 90.9(5) . . ?
C223 Co1B P202 150.0(6) . . ?
C223 Co1B P203 118.5(6) . . ?
C223 Co1B C224 39.55(18) . . ?
C223 Co1B C225 66.4(2) . . ?
C224 Co1B P201 93.9(5) . . ?
C224 Co1B P202 110.5(6) . . ?
C224 Co1B P203 157.7(6) . . ?
C225 Co1B P201 128.3(6) . . ?
C225 Co1B P202 87.7(5) . . ?
C225 Co1B P203 141.6(6) . . ?
C225 Co1B C224 39.23(18) . . ?
O201 P201 Co1B 117.1(6) . . ?
O201 P201 O204 110.6(10) . . ?
O201 P201 O205 108.3(9) . . ?
O204 P201 Co1B 92.5(6) . . ?
O204 P201 O205 120.3(9) . . ?
O205 P201 Co1B 107.8(6) . . ?
O202 P202 Co1B 119.1(6) . . ?
O202 P202 O206 112.4(10) . . ?
O202 P202 O207 110.7(8) . . ?
O206 P202 Co1B 111.7(9) . . ?
O206 P202 O207 102.9(9) . . ?
O207 P202 Co1B 97.8(6) . . ?
O203 P203 Co1B 119.1(6) . . ?
O203 P203 O208 109.3(7) . . ?
O203 P203 O209 110.6(10) . . ?
O208 P203 Co1B 101.2(6) . . ?
O209 P203 Co1B 110.1(9) . . ?
O209 P203 O208 105.4(10) . . ?
P201 O201 Gd1 136.7(8) . . ?
P202 O202 Gd1 137.1(8) . . ?
P203 O203 Gd1 132.9(7) . . ?
C201 O204 P201 129.9(13) . . ?
C203 O205 P201 116.0(14) . . ?
C205 O206 P202 120(2) . . ?
C207 O207 P202 102.5(14) . . ?
C209 O208 P203 131.5(9) . . ?
C211 O209 P203 119.3(17) . . ?
O204 C201 H20A 109.8 . . ?
O204 C201 H20B 109.8 . . ?
O204 C201 C202 109.5(15) . . ?
H20A C201 H20B 108.2 . . ?
C202 C201 H20A 109.8 . . ?
C202 C201 H20B 109.8 . . ?
C201 C202 H20C 109.5 . . ?
C201 C202 H20D 109.5 . . ?
C201 C202 H20E 109.5 . . ?
H20C C202 H20D 109.5 . . ?
H20C C202 H20E 109.5 . . ?
H20D C202 H20E 109.5 . . ?
O205 C203 H20F 110.2 . . ?
O205 C203 H20G 110.2 . . ?
O205 C203 C204 107.6(18) . . ?
H20F C203 H20G 108.5 . . ?
C204 C203 H20F 110.2 . . ?
C204 C203 H20G 110.2 . . ?
C203 C204 H20H 109.5 . . ?
C203 C204 H20I 109.5 . . ?
C203 C204 H20J 109.5 . . ?
H20H C204 H20I 109.5 . . ?
H20H C204 H20J 109.5 . . ?
H20I C204 H20J 109.5 . . ?
O206 C205 H20K 110.2 . . ?
O206 C205 H20L 110.2 . . ?
O206 C205 C206 108(2) . . ?
H20K C205 H20L 108.5 . . ?
C206 C205 H20K 110.2 . . ?
C206 C205 H20L 110.2 . . ?
C205 C206 H20M 109.5 . . ?
C205 C206 H20N 109.5 . . ?
C205 C206 H20O 109.5 . . ?
H20M C206 H20N 109.5 . . ?
H20M C206 H20O 109.5 . . ?
H20N C206 H20O 109.5 . . ?
O207 C207 H20P 109.1 . . ?
O207 C207 H20Q 109.1 . . ?
O207 C207 C208 112.6(18) . . ?
H20P C207 H20Q 107.8 . . ?
C208 C207 H20P 109.1 . . ?
C208 C207 H20Q 109.1 . . ?
C207 C208 H20R 109.5 . . ?
C207 C208 H20S 109.5 . . ?
C207 C208 H20T 109.5 . . ?
H20R C208 H20S 109.5 . . ?
H20R C208 H20T 109.5 . . ?
H20S C208 H20T 109.5 . . ?
O208 C209 H20U 109.1 . . ?
O208 C209 H20V 109.1 . . ?
O208 C209 C210 112.4(14) . . ?
H20U C209 H20V 107.9 . . ?
C210 C209 H20U 109.1 . . ?
C210 C209 H20V 109.1 . . ?
C209 C210 H21A 109.5 . . ?
C209 C210 H21B 109.5 . . ?
C209 C210 H21C 109.5 . . ?
H21A C210 H21B 109.5 . . ?
H21A C210 H21C 109.5 . . ?
H21B C210 H21C 109.5 . . ?
O209 C211 H21D 109.2 . . ?
O209 C211 H21E 109.2 . . ?
O209 C211 C212 112(2) . . ?
H21D C211 H21E 107.9 . . ?
C212 C211 H21D 109.2 . . ?
C212 C211 H21E 109.2 . . ?
C211 C212 H21F 109.5 . . ?
C211 C212 H21G 109.5 . . ?
C211 C212 H21H 109.5 . . ?
H21F C212 H21G 109.5 . . ?
H21F C212 H21H 109.5 . . ?
H21G C212 H21H 109.5 . . ?
Co1B C221 H221 126.0 . . ?
C222 C221 Co1B 69.1(4) . . ?
C222 C221 H221 126.0 . . ?
C225 C221 Co1B 71.7(4) . . ?
C225 C221 H221 126.0 . . ?
C225 C221 C222 108.0 . . ?
Co1B C222 H222 124.0 . . ?
C221 C222 Co1B 70.7(4) . . ?
C221 C222 H222 126.0 . . ?
C221 C222 C223 108.0 . . ?
C223 C222 Co1B 70.9(4) . . ?
C223 C222 H222 126.0 . . ?
Co1B C223 H223 125.0 . . ?
C222 C223 Co1B 68.9(4) . . ?
C222 C223 H223 126.0 . . ?
C224 C223 Co1B 71.6(4) . . ?
C224 C223 C222 108.0 . . ?
C224 C223 H223 126.0 . . ?
Co1B C224 H224 126.5 . . ?
C223 C224 Co1B 68.8(4) . . ?
C223 C224 H224 126.0 . . ?
C223 C224 C225 108.0 . . ?
C225 C224 Co1B 70.3(4) . . ?
C225 C224 H224 126.0 . . ?
Co1B C225 H225 126.4 . . ?
C221 C225 Co1B 68.7(4) . . ?
C221 C225 H225 126.0 . . ?
C224 C225 Co1B 70.5(4) . . ?
C224 C225 C221 108.0 . . ?
C224 C225 H225 126.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Gd1 N1 C1 C2 -147.4(3) . . . . ?
Gd1 N1 C1 C20 35.1(6) . . . . ?
Gd1 N1 C4 C3 146.7(3) . . . . ?
Gd1 N1 C4 C5 -34.4(6) . . . . ?
Gd1 N2 C6 C5 26.2(7) . . . . ?
Gd1 N2 C6 C7 -157.2(3) . . . . ?
Gd1 N2 C9 C8 156.9(3) . . . . ?
Gd1 N2 C9 C10 -26.2(7) . . . . ?
Gd1 N3 C11 C10 31.6(8) . . . . ?
Gd1 N3 C11 C12 -154.3(4) . . . . ?
Gd1 N3 C14 C13 154.2(4) . . . . ?
Gd1 N3 C14 C15 -29.1(8) . . . . ?
Gd1 N4 C16 C15 32.8(7) . . . . ?
Gd1 N4 C16 C17 -149.8(3) . . . . ?
Gd1 N4 C19 C18 150.4(3) . . . . ?
Gd1 N4 C19 C20 -32.2(7) . . . . ?
N1 C1 C2 C3 -1.3(6) . . . . ?
N1 C1 C20 C19 1.6(8) . . . . ?
N1 C1 C20 C21 177.5(5) . . . . ?
N1 C4 C5 C6 -4.2(8) . . . . ?
N1 C4 C5 C34 177.9(4) . . . . ?
N2 C6 C7 C8 -0.1(6) . . . . ?
N2 C9 C10 C11 -8.8(9) . . . . ?
N2 C9 C10 C23 173.5(5) . . . . ?
N3 C11 C12 C13 -1.3(8) . . . . ?
N3 C14 C15 C16 -5.0(9) . . . . ?
N3 C14 C15 C48 178.6(5) . . . . ?
N4 C16 C17 C18 -1.6(6) . . . . ?
N4 C19 C20 C1 -2.9(8) . . . . ?
N4 C19 C20 C21 -178.9(5) . . . . ?
C1 N1 C4 C3 -3.3(5) . . . . ?
C1 N1 C4 C5 175.6(5) . . . . ?
C1 C2 C3 C4 -0.8(5) . . . . ?
C2 C1 C20 C19 -175.5(5) . . . . ?
C2 C1 C20 C21 0.4(7) . . . . ?
C2 C3 C4 N1 2.6(6) . . . . ?
C2 C3 C4 C5 -176.3(5) . . . . ?
C3 C4 C5 C6 174.5(5) . . . . ?
C3 C4 C5 C34 -3.4(7) . . . . ?
C4 N1 C1 C2 2.9(5) . . . . ?
C4 N1 C1 C20 -174.6(5) . . . . ?
C4 C5 C6 N2 8.6(8) . . . . ?
C4 C5 C6 C7 -167.4(5) . . . . ?
C4 C5 C34 C35 -108.6(5) . . . . ?
C4 C5 C34 C39 67.9(6) . . . . ?
C5 C6 C7 C8 176.5(5) . . . . ?
C5 C34 C35 C36 175.3(4) . . . . ?
C5 C34 C39 C38 -176.3(4) . . . . ?
C6 N2 C9 C8 -0.7(6) . . . . ?
C6 N2 C9 C10 176.2(5) . . . . ?
C6 C5 C34 C35 73.3(6) . . . . ?
C6 C5 C34 C39 -110.2(5) . . . . ?
C6 C7 C8 C9 -0.3(6) . . . . ?
C7 C8 C9 N2 0.6(6) . . . . ?
C7 C8 C9 C10 -176.3(5) . . . . ?
C8 C9 C10 C11 167.6(6) . . . . ?
C8 C9 C10 C23 -10.0(8) . . . . ?
C9 N2 C6 C5 -176.1(5) . . . . ?
C9 N2 C6 C7 0.5(5) . . . . ?
C9 C10 C11 N3 5.9(10) . . . . ?
C9 C10 C11 C12 -167.5(6) . . . . ?
C10 C11 C12 C13 173.0(6) . . . . ?
C11 N3 C14 C13 -1.5(6) . . . . ?
C11 N3 C14 C15 175.2(5) . . . . ?
C11 C12 C13 C14 0.3(8) . . . . ?
C12 C13 C14 N3 0.7(7) . . . . ?
C12 C13 C14 C15 -176.0(6) . . . . ?
C13 C14 C15 C16 171.1(6) . . . . ?
C13 C14 C15 C48 -5.2(8) . . . . ?
C14 N3 C11 C10 -172.4(6) . . . . ?
C14 N3 C11 C12 1.7(6) . . . . ?
C14 C15 C16 N4 2.8(9) . . . . ?
C14 C15 C16 C17 -174.1(5) . . . . ?
C14 C15 C48 C49 111.7(6) . . . . ?
C14 C15 C48 C53 -68.3(7) . . . . ?
C15 C16 C17 C18 175.8(5) . . . . ?
C15 C48 C49 C50 178.3(5) . . . . ?
C15 C48 C53 C52 -179.6(5) . . . . ?
C16 N4 C19 C18 -2.2(6) . . . . ?
C16 N4 C19 C20 175.2(5) . . . . ?
C16 C15 C48 C49 -64.9(7) . . . . ?
C16 C15 C48 C53 115.0(6) . . . . ?
C16 C17 C18 C19 0.2(6) . . . . ?
C17 C18 C19 N4 1.3(6) . . . . ?
C17 C18 C19 C20 -176.2(5) . . . . ?
C18 C19 C20 C1 174.1(5) . . . . ?
C18 C19 C20 C21 -1.8(7) . . . . ?
C19 N4 C16 C15 -175.1(5) . . . . ?
C19 N4 C16 C17 2.3(5) . . . . ?
C20 C1 C2 C3 176.1(5) . . . . ?
C23 C10 C11 N3 -176.4(5) . . . . ?
C23 C10 C11 C12 10.2(9) . . . . ?
C24 Si1 C25 C26 64.3(6) . . . . ?
C24 Si1 C25 C27 -167.8(6) . . . . ?
C24 Si1 C31 C32 -52.7(7) . . . . ?
C24 Si1 C31 C33 69.6(6) . . . . ?
C25 Si1 C24 C23 -127(3) . . . . ?
C25 Si1 C31 C32 -169.9(6) . . . . ?
C25 Si1 C31 C33 -47.6(7) . . . . ?
C28 Si1 C24 C23 -10(3) . . . . ?
C28 Si1 C25 C26 -48.3(6) . . . . ?
C28 Si1 C25 C27 79.6(6) . . . . ?
C28 Si1 C31 C32 63.2(7) . . . . ?
C28 Si1 C31 C33 -174.5(5) . . . . ?
C31 Si1 C24 C23 115(3) . . . . ?
C31 Si1 C25 C26 -178.3(5) . . . . ?
C31 Si1 C25 C27 -50.4(7) . . . . ?
C34 C5 C6 N2 -173.5(4) . . . . ?
C34 C5 C6 C7 10.5(7) . . . . ?
C34 C35 C36 C37 1.8(7) . . . . ?
C34 C35 C36 C40 -177.2(5) . . . . ?
C35 C34 C39 C38 0.1(7) . . . . ?
C35 C36 C37 C38 -1.3(8) . . . . ?
C35 C36 C40 C41 3.1(8) . . . . ?
C35 C36 C40 C42 121.9(6) . . . . ?
C35 C36 C40 C43 -118.2(6) . . . . ?
C36 C37 C38 C39 0.3(8) . . . . ?
C36 C37 C38 C44 -178.8(5) . . . . ?
C37 C36 C40 C41 -175.8(5) . . . . ?
C37 C36 C40 C42 -57.1(7) . . . . ?
C37 C36 C40 C43 62.8(7) . . . . ?
C37 C38 C39 C34 0.3(7) . . . . ?
C37 C38 C44 C45 55.2(7) . . . . ?
C37 C38 C44 C46 -65.2(7) . . . . ?
C37 C38 C44 C47 175.6(5) . . . . ?
C39 C34 C35 C36 -1.2(7) . . . . ?
C39 C38 C44 C45 -123.8(6) . . . . ?
C39 C38 C44 C46 115.8(6) . . . . ?
C39 C38 C44 C47 -3.4(7) . . . . ?
C40 C36 C37 C38 177.7(5) . . . . ?
C44 C38 C39 C34 179.4(5) . . . . ?
C48 C15 C16 N4 179.1(5) . . . . ?
C48 C15 C16 C17 2.2(8) . . . . ?
C48 C49 C50 C51 0.8(8) . . . . ?
C48 C49 C50 C54 -176(2) . . . . ?
C48 C49 C50 C54A -177(3) . . . . ?
C49 C48 C53 C52 0.4(8) . . . . ?
C49 C50 C51 C52 1.3(8) . . . . ?
C49 C50 C54 C55 50(4) . . . . ?
C49 C50 C54 C56 -69(3) . . . . ?
C49 C50 C54 C57 168.3(18) . . . . ?
C49 C50 C54A C55A -9(5) . . . . ?
C49 C50 C54A C56A -131(3) . . . . ?
C49 C50 C54A C57A 111(3) . . . . ?
C50 C51 C52 C53 -2.6(8) . . . . ?
C50 C51 C52 C58 178.9(5) . . . . ?
C51 C50 C54 C55 -127(2) . . . . ?
C51 C50 C54 C56 115(2) . . . . ?
C51 C50 C54 C57 -9(4) . . . . ?
C51 C50 C54A C55A 174(2) . . . . ?
C51 C50 C54A C56A 52(5) . . . . ?
C51 C50 C54A C57A -66(4) . . . . ?
C51 C52 C53 C48 1.7(8) . . . . ?
C51 C52 C58 C59 -62.3(7) . . . . ?
C51 C52 C58 C60 57.0(8) . . . . ?
C51 C52 C58 C61 178.5(6) . . . . ?
C53 C48 C49 C50 -1.6(8) . . . . ?
C53 C52 C58 C59 119.2(6) . . . . ?
C53 C52 C58 C60 -121.5(6) . . . . ?
C53 C52 C58 C61 0.0(8) . . . . ?
C58 C52 C53 C48 -179.7(5) . . . . ?
C54 C50 C51 C52 178(2) . . . . ?
Co1 P101 O101 Gd1 28.3(7) . . . . ?
Co1 P101 O104 C101 -123.7(10) . . . . ?
Co1 P101 O105 C103 -174.6(9) . . . . ?
Co1 P102 O102 Gd1 15.1(6) . . . . ?
Co1 P102 O106 C105 -97.2(9) . . . . ?
Co1 P102 O107 C107 179.9(7) . . . . ?
Co1 P103 O103 Gd1 26.9(7) . . . . ?
Co1 P103 O108 C109 -171.4(9) . . . . ?
Co1 P103 O109 C111 88.6(12) . . . . ?
Co1 C121 C122 C123 -60.3(3) . . . . ?
Co1 C121 C125 C124 60.2(3) . . . . ?
Co1 C122 C123 C124 -60.1(3) . . . . ?
Co1 C123 C124 C125 -59.9(3) . . . . ?
Co1 C124 C125 C121 -59.9(3) . . . . ?
P101 O104 C101 C102 -169.8(10) . . . . ?
P101 O105 C103 C104 -149.2(12) . . . . ?
P102 O106 C105 C106 -139.5(8) . . . . ?
P102 O107 C107 C108 -94.7(9) . . . . ?
P103 O108 C109 C110 -113.0(12) . . . . ?
P103 O109 C111 C112 -172.4(13) . . . . ?
O101 P101 O104 C101 8.1(12) . . . . ?
O101 P101 O105 C103 58.5(11) . . . . ?
O102 P102 O106 C105 36.5(10) . . . . ?
O102 P102 O107 C107 52.1(9) . . . . ?
O103 P103 O108 C109 -45.9(10) . . . . ?
O103 P103 O109 C111 -60.0(13) . . . . ?
O104 P101 O101 Gd1 -99.0(7) . . . . ?
O104 P101 O105 C103 -53.3(11) . . . . ?
O105 P101 O101 Gd1 148.3(7) . . . . ?
O105 P101 O104 C101 116.2(11) . . . . ?
O106 P102 O102 Gd1 -115.9(5) . . . . ?
O106 P102 O107 C107 -62.1(8) . . . . ?
O107 P102 O102 Gd1 135.3(5) . . . . ?
O107 P102 O106 C105 150.3(9) . . . . ?
O108 P103 O103 Gd1 -87.2(6) . . . . ?
O108 P103 O109 C111 -168.3(13) . . . . ?
O109 P103 O103 Gd1 176.0(6) . . . . ?
O109 P103 O108 C109 67.6(10) . . . . ?
C121 C122 C123 Co1 60.1(3) . . . . ?
C121 C122 C123 C124 0.0 . . . . ?
C122 C121 C125 Co1 -60.2(3) . . . . ?
C122 C121 C125 C124 0.0 . . . . ?
C122 C123 C124 Co1 59.9(3) . . . . ?
C122 C123 C124 C125 0.0 . . . . ?
C123 C124 C125 Co1 59.9(3) . . . . ?
C123 C124 C125 C121 0.0 . . . . ?
C125 C121 C122 Co1 60.3(3) . . . . ?
C125 C121 C122 C123 0.0 . . . . ?
C54A C50 C51 C52 179(3) . . . . ?
Co1B P201 O201 Gd1 -31.7(18) . . . . ?
Co1B P201 O204 C201 -155.7(18) . . . . ?
Co1B P201 O205 C203 170.2(17) . . . . ?
Co1B P202 O202 Gd1 -19.5(15) . . . . ?
Co1B P202 O206 C205 -87(2) . . . . ?
Co1B P202 O207 C207 -171.5(13) . . . . ?
Co1B P203 O203 Gd1 -30.2(12) . . . . ?
Co1B P203 O208 C209 -134.9(18) . . . . ?
Co1B P203 O209 C211 165(2) . . . . ?
Co1B C221 C222 C223 -61.4(4) . . . . ?
Co1B C221 C225 C224 59.8(4) . . . . ?
Co1B C222 C223 C224 -61.3(4) . . . . ?
Co1B C223 C224 C225 -59.6(4) . . . . ?
Co1B C224 C225 C221 -58.6(4) . . . . ?
P201 O204 C201 C202 -34(3) . . . . ?
P201 O205 C203 C204 -176.4(19) . . . . ?
P202 O206 C205 C206 -86(3) . . . . ?
P202 O207 C207 C208 153.4(17) . . . . ?
P203 O208 C209 C210 -174.5(18) . . . . ?
P203 O209 C211 C212 147(2) . . . . ?
O201 P201 O204 C201 -35(2) . . . . ?
O201 P201 O205 C203 43(2) . . . . ?
O202 P202 O206 C205 50(3) . . . . ?
O202 P202 O207 C207 63.2(15) . . . . ?
O203 P203 O208 C209 -9(2) . . . . ?
O203 P203 O209 C211 31(2) . . . . ?
O204 P201 O201 Gd1 -135.8(14) . . . . ?
O204 P201 O205 C203 -85.9(19) . . . . ?
O205 P201 O201 Gd1 90.4(16) . . . . ?
O205 P201 O204 C201 92.0(19) . . . . ?
O206 P202 O202 Gd1 -152.9(13) . . . . ?
O206 P202 O207 C207 -57.1(16) . . . . ?
O207 P202 O202 Gd1 92.7(13) . . . . ?
O207 P202 O206 C205 169(2) . . . . ?
O208 P203 O203 Gd1 -145.7(9) . . . . ?
O208 P203 O209 C211 -87(2) . . . . ?
O209 P203 O203 Gd1 98.7(13) . . . . ?
O209 P203 O208 C209 110(2) . . . . ?
C221 C222 C223 Co1B 61.3(4) . . . . ?
C221 C222 C223 C224 0.0 . . . . ?
C222 C221 C225 Co1B -59.8(4) . . . . ?
C222 C221 C225 C224 0.0 . . . . ?
C222 C223 C224 Co1B 59.6(4) . . . . ?
C222 C223 C224 C225 0.0 . . . . ?
C223 C224 C225 Co1B 58.6(4) . . . . ?
C223 C224 C225 C221 0.0 . . . . ?
C225 C221 C222 Co1B 61.4(4) . . . . ?
C225 C221 C222 C223 0.0 . . . . ?

_olex2_diffrn_ambient_temperature_device 'Oxford Cryosystems'
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.399
_oxdiff_exptl_absorpt_empirical_full_min 0.664


# start Validation Reply Form
_vrf_PLAT307_P2Gd2               
;
PROBLEM: Isolated Metal Atom found in Structure (Unusual)       Gd1B Check 
RESPONSE: 
The metal atoms are disordered over 2 positions. Due to the small percentage it
 was not possible to accurately model the disordered ligands surrounding Gd1B.
;
# end Validation Reply Form

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_P12H
_database_code_depnum_ccdc_archive 'CCDC 1565183'
_audit_update_record             
;
2017-07-27 deposited with the CCDC.
2018-10-18 downloaded from the CCDC.
;
_audit_creation_date             2016-08-26
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2016.07.26 svn.r3321 for OlexSys, GUI svn.r5206)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C70 H94 N4 Si2'
_chemical_formula_sum            'C70 H94 N4 Si2'
_chemical_formula_weight         1047.67
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C70 H94 N4 Si2'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.7410(11)
_cell_length_b                   11.0043(11)
_cell_length_c                   15.1711(14)
_cell_angle_alpha                69.405(9)
_cell_angle_beta                 70.878(9)
_cell_angle_gamma                76.429(9)
_cell_volume                     1571.4(3)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    6756
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.5940
_cell_measurement_theta_min      2.0760
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.099
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.76232
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dark blue'
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    blue
_exptl_crystal_density_diffrn    1.107
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       blade
_exptl_crystal_F_000             570
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0885
_diffrn_reflns_av_unetI/netI     0.0713
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            22040
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.027
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_min         2.167
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_detector_type            'Rigaku HG Saturn724+ (2x2 bin mode)'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -87.00  25.00   1.00   80.00    --   -9.00 -72.00   0.00  112
  2  ω    -11.00  70.00   1.00   80.00    --   -9.00  54.00 120.00   81
  3  ω    -68.00  25.00   1.00   80.00    --   -9.00 -72.00-180.00   93
  4  ω    -71.00 -21.00   1.00   80.00    --   -9.00   0.00   0.00   50
  5  ω    -99.00  81.00   1.00   80.00    --   -9.00   0.00-180.00  180
;
_diffrn_measurement_device       'four-circle κ goniometer'
_diffrn_measurement_device_type  
;
Rigaku FRE+ equipped with VHF Varimax confocal mirrors and an AFC10 goniometer and HG Saturn 724+ detector
;
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support 'MiTeGen MicroLoop'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0153855000
_diffrn_orient_matrix_UB_12      0.0028217000
_diffrn_orient_matrix_UB_13      -0.0427764000
_diffrn_orient_matrix_UB_21      -0.0406823000
_diffrn_orient_matrix_UB_22      0.0608526000
_diffrn_orient_matrix_UB_23      0.0003696000
_diffrn_orient_matrix_UB_31      0.0555332000
_diffrn_orient_matrix_UB_32      0.0334426000
_diffrn_orient_matrix_UB_33      -0.0293193000
_diffrn_radiation_collimation    0.2
_diffrn_radiation_monochromator  'Confocal mirrors, VHF Varimax'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating Anode'
_diffrn_source_current           55.0
_diffrn_source_power             2.475
_diffrn_source_target            Mo
_diffrn_source_type              'Rigaku FRE+'
_diffrn_source_voltage           45.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3733
_reflns_number_total             5522
_reflns_odcompleteness_completeness 98.91
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.50
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_collection       
;
CrystalClear-SM Expert 3.1 b27 (Rigaku, 2013)
;
_computing_data_reduction        'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         0.931
_refine_diff_density_min         -0.392
_refine_diff_density_rms         0.068
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     355
_refine_ls_number_reflns         5522
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1126
_refine_ls_R_factor_gt           0.0738
_refine_ls_restrained_S_all      1.034
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1300P)²+0.6110P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1940
_refine_ls_wR_factor_ref         0.2183
_refine_special_details          
'There is disorder of the hydrogen atoms bonded to the pyrrole nitrgoen atoms. 2 hydrogen atoms are required over the 4 possible locations. As such each position has been given a 50 percent occupancy.'
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Fixed Sof: H1(0.5) H2(0.5)
3.a Ternary CH refined with riding coordinates:
 C13(H13), C16(H16), C19(H19)
3.b Aromatic/amide H refined with riding coordinates:
 N1(H1), N2(H2), C2(H2A), C3(H3), C7(H7), C8(H8), C23(H23), C25(H25), C27(H27)
3.c Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C17(H17A,H17B,H17C), C18(H18A,H18B,
 H18C), C20(H20A,H20B,H20C), C21(H21A,H21B,H21C), C29(H29A,H29B,H29C), C30(H30A,
 H30B,H30C), C31(H31A,H31B,H31C), C33(H33A,H33B,H33C), C34(H34A,H34B,H34C),
 C35(H35A,H35B,H35C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si -0.22075(9) 0.31761(10) 0.44862(7) 0.0337(3) Uani 1 1 d . . . . .
N1 N 0.6812(2) -0.0331(2) 0.40550(18) 0.0266(6) Uani 1 1 d . . . . .
H1 H 0.6027 -0.0188 0.4456 0.032 Uiso 0.5 1 calc R . P . .
N2 N 0.4276(2) 0.1114(2) 0.38105(17) 0.0250(6) Uani 1 1 d . . . . .
H2 H 0.4622 0.0712 0.4308 0.030 Uiso 0.5 1 calc R . P . .
C1 C 0.7948(3) -0.0977(3) 0.4307(2) 0.0274(7) Uani 1 1 d . . . . .
C2 C 0.9027(3) -0.0976(3) 0.3436(2) 0.0314(8) Uani 1 1 d . . . . .
H2A H 0.9928 -0.1341 0.3410 0.038 Uiso 1 1 calc R . . . .
C3 C 0.8517(3) -0.0364(3) 0.2671(2) 0.0309(8) Uani 1 1 d . . . . .
H3 H 0.8985 -0.0230 0.2000 0.037 Uiso 1 1 calc R . . . .
C4 C 0.7130(3) 0.0054(3) 0.3053(2) 0.0260(7) Uani 1 1 d . . . . .
C5 C 0.6266(3) 0.0788(3) 0.2482(2) 0.0254(7) Uani 1 1 d . . . . .
C6 C 0.4939(3) 0.1298(3) 0.2848(2) 0.0268(7) Uani 1 1 d . . . . .
C7 C 0.4032(3) 0.2031(3) 0.2276(2) 0.0308(8) Uani 1 1 d . . . . .
H7 H 0.4228 0.2303 0.1583 0.037 Uiso 1 1 calc R . . . .
C8 C 0.2843(3) 0.2267(3) 0.2904(2) 0.0316(8) Uani 1 1 d . . . . .
H8 H 0.2057 0.2750 0.2731 0.038 Uiso 1 1 calc R . . . .
C9 C 0.2979(3) 0.1662(3) 0.3870(2) 0.0273(7) Uani 1 1 d . . . . .
C10 C 0.1944(3) 0.1585(3) 0.4732(2) 0.0292(7) Uani 1 1 d . . . . .
C11 C 0.0628(3) 0.2166(3) 0.4617(2) 0.0326(8) Uani 1 1 d . . . . .
C12 C -0.0470(3) 0.2602(4) 0.4521(2) 0.0366(8) Uani 1 1 d . . . . .
C13 C -0.2363(4) 0.3188(4) 0.3280(3) 0.0431(9) Uani 1 1 d . . . . .
H13 H -0.2438 0.2261 0.3367 0.052 Uiso 1 1 calc R . . . .
C14 C -0.3644(4) 0.3987(5) 0.3040(3) 0.0537(11) Uani 1 1 d . . . . .
H14A H -0.4412 0.3640 0.3562 0.080 Uiso 1 1 calc GR . . . .
H14B H -0.3681 0.3929 0.2419 0.080 Uiso 1 1 calc GR . . . .
H14C H -0.3662 0.4905 0.2985 0.080 Uiso 1 1 calc GR . . . .
C15 C -0.1172(4) 0.3532(5) 0.2413(3) 0.0631(13) Uani 1 1 d . . . . .
H15A H -0.1072 0.4451 0.2263 0.095 Uiso 1 1 calc GR . . . .
H15B H -0.1302 0.3397 0.1846 0.095 Uiso 1 1 calc GR . . . .
H15C H -0.0370 0.2970 0.2569 0.095 Uiso 1 1 calc GR . . . .
C16 C -0.2677(3) 0.4838(3) 0.4686(2) 0.0367(8) Uani 1 1 d . . . . .
H16 H -0.3646 0.5104 0.4727 0.044 Uiso 1 1 calc R . . . .
C17 C -0.1935(4) 0.5882(4) 0.3833(3) 0.0498(10) Uani 1 1 d . . . . .
H17A H -0.0981 0.5671 0.3785 0.075 Uiso 1 1 calc GR . . . .
H17B H -0.2263 0.6740 0.3944 0.075 Uiso 1 1 calc GR . . . .
H17C H -0.2085 0.5905 0.3224 0.075 Uiso 1 1 calc GR . . . .
C18 C -0.2489(4) 0.4825(4) 0.5645(3) 0.0460(10) Uani 1 1 d . . . . .
H18A H -0.3012 0.4192 0.6192 0.069 Uiso 1 1 calc GR . . . .
H18B H -0.2790 0.5700 0.5729 0.069 Uiso 1 1 calc GR . . . .
H18C H -0.1546 0.4575 0.5630 0.069 Uiso 1 1 calc GR . . . .
C19 C -0.3223(4) 0.1939(4) 0.5501(3) 0.0414(9) Uani 1 1 d . . . . .
H19 H -0.3197 0.1228 0.5226 0.050 Uiso 1 1 calc R . . . .
C20 C -0.4680(4) 0.2478(4) 0.5823(3) 0.0483(10) Uani 1 1 d . . . . .
H20A H -0.4761 0.3183 0.6099 0.073 Uiso 1 1 calc GR . . . .
H20B H -0.5169 0.1776 0.6319 0.073 Uiso 1 1 calc GR . . . .
H20C H -0.5050 0.2821 0.5258 0.073 Uiso 1 1 calc GR . . . .
C21 C -0.2687(4) 0.1272(4) 0.6403(3) 0.0492(10) Uani 1 1 d . . . . .
H21A H -0.1771 0.0855 0.6205 0.074 Uiso 1 1 calc GR . . . .
H21B H -0.3243 0.0606 0.6872 0.074 Uiso 1 1 calc GR . . . .
H21C H -0.2704 0.1928 0.6709 0.074 Uiso 1 1 calc GR . . . .
C22 C 0.6751(3) 0.0967(3) 0.1404(2) 0.0264(7) Uani 1 1 d . . . . .
C23 C 0.7014(3) -0.0142(3) 0.1098(2) 0.0279(7) Uani 1 1 d . . . . .
H23 H 0.6905 -0.0975 0.1572 0.034 Uiso 1 1 calc R . . . .
C24 C 0.7436(3) -0.0054(3) 0.0106(2) 0.0286(7) Uani 1 1 d . . . . .
C25 C 0.7598(3) 0.1180(3) -0.0567(2) 0.0294(8) Uani 1 1 d . . . . .
H25 H 0.7879 0.1257 -0.1245 0.035 Uiso 1 1 calc R . . . .
C26 C 0.7363(3) 0.2317(3) -0.0283(2) 0.0286(7) Uani 1 1 d . . . . .
C27 C 0.6933(3) 0.2184(3) 0.0718(2) 0.0273(7) Uani 1 1 d . . . . .
H27 H 0.6763 0.2936 0.0931 0.033 Uiso 1 1 calc R . . . .
C28 C 0.7693(3) -0.1304(3) -0.0187(2) 0.0330(8) Uani 1 1 d . . . . .
C29 C 0.8106(4) -0.1044(4) -0.1292(3) 0.0415(9) Uani 1 1 d . . . . .
H29A H 0.7391 -0.0468 -0.1566 0.062 Uiso 1 1 calc GR . . . .
H29B H 0.8278 -0.1876 -0.1440 0.062 Uiso 1 1 calc GR . . . .
H29C H 0.8916 -0.0622 -0.1579 0.062 Uiso 1 1 calc GR . . . .
C30 C 0.6423(4) -0.1955(4) 0.0233(3) 0.0448(9) Uani 1 1 d . . . . .
H30A H 0.6177 -0.2198 0.0949 0.067 Uiso 1 1 calc GR . . . .
H30B H 0.6578 -0.2741 0.0029 0.067 Uiso 1 1 calc GR . . . .
H30C H 0.5700 -0.1340 -0.0009 0.067 Uiso 1 1 calc GR . . . .
C31 C 0.8812(4) -0.2245(4) 0.0224(3) 0.0518(11) Uani 1 1 d . . . . .
H31A H 0.9619 -0.1822 -0.0037 0.078 Uiso 1 1 calc GR . . . .
H31B H 0.8989 -0.3044 0.0032 0.078 Uiso 1 1 calc GR . . . .
H31C H 0.8541 -0.2469 0.0939 0.078 Uiso 1 1 calc GR . . . .
C32 C 0.7493(3) 0.3664(3) -0.1050(2) 0.0309(8) Uani 1 1 d . . . . .
C33 C 0.8682(4) 0.3587(4) -0.1949(2) 0.0417(9) Uani 1 1 d . . . . .
H33A H 0.9501 0.3242 -0.1740 0.063 Uiso 1 1 calc GR . . . .
H33B H 0.8759 0.4464 -0.2417 0.063 Uiso 1 1 calc GR . . . .
H33C H 0.8538 0.3006 -0.2259 0.063 Uiso 1 1 calc GR . . . .
C34 C 0.6200(4) 0.4128(4) -0.1393(3) 0.0458(10) Uani 1 1 d . . . . .
H34A H 0.6065 0.3473 -0.1641 0.069 Uiso 1 1 calc GR . . . .
H34B H 0.6280 0.4966 -0.1913 0.069 Uiso 1 1 calc GR . . . .
H34C H 0.5441 0.4239 -0.0840 0.069 Uiso 1 1 calc GR . . . .
C35 C 0.7713(4) 0.4669(4) -0.0650(3) 0.0461(10) Uani 1 1 d . . . . .
H35A H 0.6926 0.4824 -0.0128 0.069 Uiso 1 1 calc GR . . . .
H35B H 0.7862 0.5492 -0.1178 0.069 Uiso 1 1 calc GR . . . .
H35C H 0.8491 0.4335 -0.0390 0.069 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Si1 C12 1.837(4) . ?
Si1 C13 1.887(4) . ?
Si1 C16 1.884(4) . ?
Si1 C19 1.880(4) . ?
N1 H1 0.8800 . ?
N1 C1 1.359(4) . ?
N1 C4 1.372(4) . ?
N2 H2 0.8800 . ?
N2 C6 1.363(4) . ?
N2 C9 1.369(4) . ?
C1 C2 1.444(4) . ?
C1 C10 1.406(4) 2_656 ?
C2 H2A 0.9500 . ?
C2 C3 1.340(4) . ?
C3 H3 0.9500 . ?
C3 C4 1.438(4) . ?
C4 C5 1.395(4) . ?
C5 C6 1.407(4) . ?
C5 C22 1.500(4) . ?
C6 C7 1.430(4) . ?
C7 H7 0.9500 . ?
C7 C8 1.351(4) . ?
C8 H8 0.9500 . ?
C8 C9 1.421(4) . ?
C9 C10 1.403(4) . ?
C10 C1 1.406(4) 2_656 ?
C10 C11 1.448(4) . ?
C11 C12 1.200(5) . ?
C13 H13 1.0000 . ?
C13 C14 1.528(5) . ?
C13 C15 1.511(6) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16 1.0000 . ?
C16 C17 1.529(5) . ?
C16 C18 1.527(5) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19 1.0000 . ?
C19 C20 1.519(5) . ?
C19 C21 1.535(5) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.391(4) . ?
C22 C27 1.386(4) . ?
C23 H23 0.9500 . ?
C23 C24 1.397(4) . ?
C24 C25 1.392(5) . ?
C24 C28 1.529(5) . ?
C25 H25 0.9500 . ?
C25 C26 1.405(5) . ?
C26 C27 1.399(4) . ?
C26 C32 1.532(5) . ?
C27 H27 0.9500 . ?
C28 C29 1.524(5) . ?
C28 C30 1.532(5) . ?
C28 C31 1.535(5) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 C33 1.544(4) . ?
C32 C34 1.554(5) . ?
C32 C35 1.527(5) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C12 Si1 C13 108.52(16) . . ?
C12 Si1 C16 107.87(16) . . ?
C12 Si1 C19 106.37(16) . . ?
C16 Si1 C13 113.40(17) . . ?
C19 Si1 C13 108.91(18) . . ?
C19 Si1 C16 111.49(16) . . ?
C1 N1 H1 126.8 . . ?
C1 N1 C4 106.5(2) . . ?
C4 N1 H1 126.8 . . ?
C6 N2 H2 125.9 . . ?
C6 N2 C9 108.1(2) . . ?
C9 N2 H2 125.9 . . ?
N1 C1 C2 109.8(3) . . ?
N1 C1 C10 125.4(3) . 2_656 ?
C10 C1 C2 124.8(3) 2_656 . ?
C1 C2 H2A 126.5 . . ?
C3 C2 C1 107.0(3) . . ?
C3 C2 H2A 126.5 . . ?
C2 C3 H3 126.4 . . ?
C2 C3 C4 107.2(3) . . ?
C4 C3 H3 126.4 . . ?
N1 C4 C3 109.5(3) . . ?
N1 C4 C5 125.8(3) . . ?
C5 C4 C3 124.7(3) . . ?
C4 C5 C6 125.0(3) . . ?
C4 C5 C22 117.7(3) . . ?
C6 C5 C22 117.2(3) . . ?
N2 C6 C5 125.8(3) . . ?
N2 C6 C7 108.3(3) . . ?
C5 C6 C7 125.8(3) . . ?
C6 C7 H7 126.3 . . ?
C8 C7 C6 107.4(3) . . ?
C8 C7 H7 126.3 . . ?
C7 C8 H8 126.1 . . ?
C7 C8 C9 107.8(3) . . ?
C9 C8 H8 126.1 . . ?
N2 C9 C8 108.3(3) . . ?
N2 C9 C10 126.1(3) . . ?
C10 C9 C8 125.6(3) . . ?
C1 C10 C11 116.9(3) 2_656 . ?
C9 C10 C1 126.6(3) . 2_656 ?
C9 C10 C11 116.5(3) . . ?
C12 C11 C10 177.5(4) . . ?
C11 C12 Si1 174.9(3) . . ?
Si1 C13 H13 105.2 . . ?
C14 C13 Si1 113.4(3) . . ?
C14 C13 H13 105.2 . . ?
C15 C13 Si1 115.8(3) . . ?
C15 C13 H13 105.2 . . ?
C15 C13 C14 110.9(3) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si1 C16 H16 107.1 . . ?
C17 C16 Si1 112.4(2) . . ?
C17 C16 H16 107.1 . . ?
C18 C16 Si1 112.8(3) . . ?
C18 C16 H16 107.1 . . ?
C18 C16 C17 110.0(3) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si1 C19 H19 106.2 . . ?
C20 C19 Si1 113.1(3) . . ?
C20 C19 H19 106.2 . . ?
C20 C19 C21 109.2(3) . . ?
C21 C19 Si1 115.3(3) . . ?
C21 C19 H19 106.2 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C23 C22 C5 117.7(3) . . ?
C27 C22 C5 122.4(3) . . ?
C27 C22 C23 119.9(3) . . ?
C22 C23 H23 119.4 . . ?
C22 C23 C24 121.2(3) . . ?
C24 C23 H23 119.4 . . ?
C23 C24 C28 118.9(3) . . ?
C25 C24 C23 117.7(3) . . ?
C25 C24 C28 123.4(3) . . ?
C24 C25 H25 118.7 . . ?
C24 C25 C26 122.5(3) . . ?
C26 C25 H25 118.7 . . ?
C25 C26 C32 120.7(3) . . ?
C27 C26 C25 117.8(3) . . ?
C27 C26 C32 121.4(3) . . ?
C22 C27 C26 120.9(3) . . ?
C22 C27 H27 119.6 . . ?
C26 C27 H27 119.6 . . ?
C24 C28 C30 109.4(3) . . ?
C24 C28 C31 109.1(3) . . ?
C29 C28 C24 112.7(3) . . ?
C29 C28 C30 107.9(3) . . ?
C29 C28 C31 108.2(3) . . ?
C30 C28 C31 109.6(3) . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C28 C31 H31A 109.5 . . ?
C28 C31 H31B 109.5 . . ?
C28 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C26 C32 C33 111.2(3) . . ?
C26 C32 C34 107.8(3) . . ?
C33 C32 C34 108.3(3) . . ?
C35 C32 C26 112.3(3) . . ?
C35 C32 C33 107.1(3) . . ?
C35 C32 C34 110.2(3) . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C32 C34 H34A 109.5 . . ?
C32 C34 H34B 109.5 . . ?
C32 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C32 C35 H35A 109.5 . . ?
C32 C35 H35B 109.5 . . ?
C32 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C1 C2 C3 -1.9(4) . . . . ?
N1 C4 C5 C6 2.8(5) . . . . ?
N1 C4 C5 C22 -172.5(3) . . . . ?
N2 C6 C7 C8 -0.3(4) . . . . ?
N2 C9 C10 C1 2.6(6) . . . 2_656 ?
N2 C9 C10 C11 -175.9(3) . . . . ?
C1 N1 C4 C3 -0.4(3) . . . . ?
C1 N1 C4 C5 -177.6(3) . . . . ?
C1 C2 C3 C4 1.6(4) . . . . ?
C2 C3 C4 N1 -0.8(4) . . . . ?
C2 C3 C4 C5 176.5(3) . . . . ?
C3 C4 C5 C6 -174.1(3) . . . . ?
C3 C4 C5 C22 10.7(5) . . . . ?
C4 N1 C1 C2 1.3(4) . . . . ?
C4 N1 C1 C10 -177.2(3) . . . 2_656 ?
C4 C5 C6 N2 -2.7(5) . . . . ?
C4 C5 C6 C7 -178.7(3) . . . . ?
C4 C5 C22 C23 64.9(4) . . . . ?
C4 C5 C22 C27 -115.5(3) . . . . ?
C5 C6 C7 C8 176.2(3) . . . . ?
C5 C22 C23 C24 178.3(3) . . . . ?
C5 C22 C27 C26 -178.8(3) . . . . ?
C6 N2 C9 C8 -2.8(4) . . . . ?
C6 N2 C9 C10 174.1(3) . . . . ?
C6 C5 C22 C23 -110.7(3) . . . . ?
C6 C5 C22 C27 68.9(4) . . . . ?
C6 C7 C8 C9 -1.4(4) . . . . ?
C7 C8 C9 N2 2.6(4) . . . . ?
C7 C8 C9 C10 -174.3(3) . . . . ?
C8 C9 C10 C1 179.0(3) . . . 2_656 ?
C8 C9 C10 C11 0.5(5) . . . . ?
C9 N2 C6 C5 -174.6(3) . . . . ?
C9 N2 C6 C7 2.0(4) . . . . ?
C10 C1 C2 C3 176.6(3) 2_656 . . . ?
C12 Si1 C13 C14 -164.2(3) . . . . ?
C12 Si1 C13 C15 -34.3(4) . . . . ?
C12 Si1 C16 C17 67.7(3) . . . . ?
C12 Si1 C16 C18 -57.3(3) . . . . ?
C12 Si1 C19 C20 158.9(3) . . . . ?
C12 Si1 C19 C21 32.1(3) . . . . ?
C13 Si1 C16 C17 -52.5(3) . . . . ?
C13 Si1 C16 C18 -177.5(2) . . . . ?
C13 Si1 C19 C20 -84.4(3) . . . . ?
C13 Si1 C19 C21 148.9(3) . . . . ?
C16 Si1 C13 C14 -44.3(3) . . . . ?
C16 Si1 C13 C15 85.5(3) . . . . ?
C16 Si1 C19 C20 41.5(3) . . . . ?
C16 Si1 C19 C21 -85.2(3) . . . . ?
C19 Si1 C13 C14 80.4(3) . . . . ?
C19 Si1 C13 C15 -149.7(3) . . . . ?
C19 Si1 C16 C17 -175.9(3) . . . . ?
C19 Si1 C16 C18 59.1(3) . . . . ?
C22 C5 C6 N2 172.5(3) . . . . ?
C22 C5 C6 C7 -3.5(5) . . . . ?
C22 C23 C24 C25 0.7(4) . . . . ?
C22 C23 C24 C28 -179.2(3) . . . . ?
C23 C22 C27 C26 0.9(5) . . . . ?
C23 C24 C25 C26 0.4(5) . . . . ?
C23 C24 C28 C29 178.3(3) . . . . ?
C23 C24 C28 C30 58.3(4) . . . . ?
C23 C24 C28 C31 -61.5(4) . . . . ?
C24 C25 C26 C27 -0.8(5) . . . . ?
C24 C25 C26 C32 -177.2(3) . . . . ?
C25 C24 C28 C29 -1.6(4) . . . . ?
C25 C24 C28 C30 -121.7(3) . . . . ?
C25 C24 C28 C31 118.5(3) . . . . ?
C25 C26 C27 C22 0.2(4) . . . . ?
C25 C26 C32 C33 -38.7(4) . . . . ?
C25 C26 C32 C34 79.8(4) . . . . ?
C25 C26 C32 C35 -158.7(3) . . . . ?
C27 C22 C23 C24 -1.3(5) . . . . ?
C27 C26 C32 C33 145.0(3) . . . . ?
C27 C26 C32 C34 -96.4(3) . . . . ?
C27 C26 C32 C35 25.1(4) . . . . ?
C28 C24 C25 C26 -179.7(3) . . . . ?
C32 C26 C27 C22 176.5(3) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_diffrn_ambient_temperature_device 'Oxford Cryosystems'
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.323
_oxdiff_exptl_absorpt_empirical_full_min 0.466
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_P1Gd
_database_code_depnum_ccdc_archive 'CCDC 1565179'
_audit_update_record             
;
2017-07-27 deposited with the CCDC.
2018-10-18 downloaded from the CCDC.
;
_audit_creation_date             2017-02-24
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2017.02.06 svn.r3384 for OlexSys, GUI svn.r5312)
;
#2016ncs0852
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C87 H127 Co Gd N4 O9 P3 Si2'
_chemical_formula_sum            'C87 H127 Co Gd N4 O9 P3 Si2'
_chemical_formula_weight         1738.19
_chemical_absolute_configuration .
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C60H88CoGdN4 O9P3Si2 (C12 H18)2'
_chemical_oxdiff_usercomment     Gd-Por
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -0.1653 3.9035 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_H-M_alt        'C 1 c 1'
_space_group_name_Hall           'C -2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'

_cell_length_a                   16.25392(13)
_cell_length_b                   38.80173(18)
_cell_length_c                   16.36512(11)
_cell_angle_alpha                90
_cell_angle_beta                 119.1056(10)
_cell_angle_gamma                90
_cell_volume                     9017.84(13)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    128519
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.6180
_cell_measurement_theta_min      3.0450
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.047
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.83475
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.9g (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dark green'
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.280
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             3652
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.035
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0273
_diffrn_reflns_av_unetI/netI     0.0134
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       50
_diffrn_reflns_limit_k_min       -50
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            199380
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.482
_diffrn_reflns_theta_min         2.849
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_detector_type            'Rigaku HG Saturn724+ (2x2 bin mode)'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -106.00  22.00   0.50   10.00    --  -16.70 -72.00   0.00  256
  2  ω   -106.00  17.00   0.50   10.00    --  -16.70 -38.00-150.00  246
  3  ω    -55.00  73.00   0.50   10.00    --  -16.70  72.00   0.00  256
  4  ω   -106.00  22.00   0.50   10.00    --  -16.70 -72.00 150.00  256
  5  ω    -55.00  73.00   0.50   10.00    --  -16.70  72.00-150.00  256
  6  ω    -55.00  73.00   0.50   10.00    --  -16.70  72.00 -90.00  256
  7  ω    -55.00  73.00   0.50   10.00    --  -16.70  72.00  90.00  256
  8  ω    -52.00  73.00   0.50   10.00    --  -16.70  57.00 -30.00  250
  9  ω   -106.00  17.00   0.50   10.00    --  -16.70 -38.00   0.00  246
 10  ω   -106.00  19.00   0.50   10.00    --  -16.70 -57.00-150.00  250
 11  ω    -50.00  73.00   0.50   10.00    --  -16.70  38.00 120.00  246
 12  ω    -50.00  73.00   0.50   10.00    --  -16.70  38.00-180.00  246
 13  ω    -55.00  73.00   0.50   10.00    --  -16.70  72.00 150.00  256
 14  ω   -106.00  46.00   0.50   10.00    --  -16.70   0.00-180.00  304
 15  ω    -50.00  73.00   0.50   10.00    --  -16.70  38.00-120.00  246
;
_diffrn_measurement_device       'four-circle κ goniometer'
_diffrn_measurement_device_type  
'Rigaku FRE+ equipped with HF Varimax confocal mirrors and an AFC12 goniometer and HG Saturn 724+ detector'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support 'MiTeGen MicroLoop'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0007666500
_diffrn_orient_matrix_UB_12      -0.0014606500
_diffrn_orient_matrix_UB_13      -0.0435787000
_diffrn_orient_matrix_UB_21      0.0040389000
_diffrn_orient_matrix_UB_22      0.0181629000
_diffrn_orient_matrix_UB_23      -0.0015610000
_diffrn_orient_matrix_UB_31      0.0497607000
_diffrn_orient_matrix_UB_32      -0.0014991000
_diffrn_orient_matrix_UB_33      0.0236774000
_diffrn_radiation_collimation    0.2
_diffrn_radiation_monochromator  'Confocal mirrors, HF Varimax'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_xray_symbol    K-L~3~
_diffrn_source                   'Rotating Anode'
_diffrn_source_current           55.0
_diffrn_source_power             2.475
_diffrn_source_target            Mo
_diffrn_source_type              'Rigaku FRE+'
_diffrn_source_voltage           45.0
_reflns_Friedel_coverage         0.998
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.999
_reflns_number_gt                20621
_reflns_number_total             20662
_reflns_odcompleteness_completeness 99.88
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.42
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.9g (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.9g (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.9g (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXD (Sheldrick, 2008)'
_refine_diff_density_max         0.668
_refine_diff_density_min         -0.451
_refine_diff_density_rms         0.043
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.498(4)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1266
_refine_ls_number_reflns         20662
_refine_ls_number_restraints     4110
_refine_ls_R_factor_all          0.0191
_refine_ls_R_factor_gt           0.0191
_refine_ls_restrained_S_all      1.034
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0254P)²+6.1089P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0477
_refine_ls_wR_factor_ref         0.0477
_refine_special_details          
'There is disorder of the phosphine ligands along with an isopropyl and t-butyl side-arms. As such various geometrical (SADI, SAME) and displacement (SIMU, RIGU) restraints along with displacement constraints (EADP) were employed.'
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.502(4)
 0.498(4)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3. Restrained distances
 P101-O104 \\sim P101-O105 \\sim P102-O106 \\sim P102-O107 \\sim P103-O108
\\sim P103-O109
 with sigma of 0.01
 P201-O204 \\sim P201-O205 \\sim P202-O206 \\sim P202-O207 \\sim P203-O208
\\sim P203-O209
 with sigma of 0.01
4. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.04 and sigma
for terminal atoms of 0.08
Uanis(O204) = Uanis(C201) = Uanis(C202) = Uanis(O205) = Uanis(C203) =
Uanis(C204) = Uanis(O206) = Uanis(C205) = Uanis(C206) = Uanis(O207) =
Uanis(C207) = Uanis(C208) = Uanis(O208) = Uanis(C209) = Uanis(C210) =
Uanis(O209) = Uanis(C211) = Uanis(C212)
Uanis(O304) = Uanis(C301) = Uanis(C302)
Uanis(O305) = Uanis(C303) = Uanis(C304)
Uanis(O306) = Uanis(C305) = Uanis(C306)
Uanis(O307) = Uanis(C307) = Uanis(C308)
Uanis(O308) = Uanis(C309) = Uanis(C310)
Uanis(O309) = Uanis(C311) = Uanis(C312)
Uanis(O104) = Uanis(C101) = Uanis(C102)
Uanis(O105) = Uanis(C103) = Uanis(C104)
Uanis(O106) = Uanis(C105) = Uanis(C106)
Uanis(O107) = Uanis(C107) = Uanis(C108)
Uanis(O108) = Uanis(C109) = Uanis(C110)
Uanis(O109) = Uanis(C111) = Uanis(C112)
5. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Same fragment restrains
{P101, P102, P103, O101, O102, O103, O104, O105, O106, O107, O108, O109, C101,
C102, C103, C104, C105, C106, C107, C108, C109, C110, C111, C112} sigma for
1-2: 0.01, 1-3: 0.04
as
{P301, P302, P303, O301, O302, O303, O304, O305, O306, O307, O308, O309, C301,
C302, C303, C304, C305, C306, C307, C308, C309, C310, C311, C312}
{P101, P102, P103, O101, O102, O103, O104, O105, O106, O107, O108, O109, C101,
C102, C103, C104, C105, C106, C107, C108, C109, C110, C111, C112} sigma for
1-2: 0.01, 1-3: 0.04
as
{P201, P202, P203, O201, O202, O203, O204, O205, O206, O207, O208, O209, C201,
C202, C203, C204, C205, C206, C207, C208, C209, C210, C211, C212}
{C67, C68, C69, C70} sigma for 1-2: 0.02, 1-3: 0.04
as
{C67A, C68A, C69A, C70A}
{C40, C41, C42} sigma for 1-2: 0.02, 1-3: 0.04
as
{C40A, C41A, C42A}
7. Others
 1*[Sof(P101)+Sof(P102)+Sof(P103)+Sof(O101)+Sof(O102)+Sof(O103)+Sof(O104)+
 Sof(O105)+Sof(O106)+Sof(O107)+Sof(O108)+Sof(O109)+Sof(C101)+Sof(H10A)+
 Sof(H10B)+Sof(C102)+Sof(H10C)+Sof(H10D)+Sof(H10E)+Sof(C103)+Sof(H10F)+
 Sof(H10G)+Sof(C104)+Sof(H10H)+Sof(H10I)+Sof(H10J)+Sof(C105)+Sof(H10K)+
 Sof(H10L)+Sof(C106)+Sof(H10M)+Sof(H10N)+Sof(H10O)+Sof(C107)+Sof(H10P)+
 Sof(H10Q)+Sof(C108)+Sof(H10R)+Sof(H10S)+Sof(H10T)+Sof(C109)+Sof(H10U)+
 Sof(H10V)+Sof(C110)+Sof(H11A)+Sof(H11B)+Sof(H11C)+Sof(C111)+Sof(H11D)+
 Sof(H11E)+Sof(C112)+Sof(H11F)+Sof(H11G)+Sof(H11H)]+1*[Sof(P201)+Sof(P202)+
 Sof(P203)+Sof(O201)+Sof(O202)+Sof(O203)+Sof(O204)+Sof(O205)+Sof(O206)+
 Sof(O207)+Sof(O208)+Sof(O209)+Sof(C201)+Sof(H20A)+Sof(H20B)+Sof(C202)+
 Sof(H20C)+Sof(H20D)+Sof(H20E)+Sof(C203)+Sof(H20F)+Sof(H20G)+Sof(C204)+
 Sof(H20H)+Sof(H20I)+Sof(H20J)+Sof(C205)+Sof(H20K)+Sof(H20L)+Sof(C206)+
 Sof(H20M)+Sof(H20N)+Sof(H20O)+Sof(C207)+Sof(H20P)+Sof(H20Q)+Sof(C208)+
 Sof(H20R)+Sof(H20S)+Sof(H20T)+Sof(C209)+Sof(H20U)+Sof(H20V)+Sof(C210)+
 Sof(H21A)+Sof(H21B)+Sof(H21C)+Sof(C211)+Sof(H21D)+Sof(H21E)+Sof(C212)+
 Sof(H21F)+Sof(H21G)+Sof(H21H)]+1*[Sof(P301)+Sof(P302)+Sof(P303)+Sof(O301)+
 Sof(O302)+Sof(O303)+Sof(O304)+Sof(O305)+Sof(O306)+Sof(O307)+Sof(O308)+
 Sof(O309)+Sof(C301)+Sof(H30D)+Sof(H30E)+Sof(C302)+Sof(H30F)+Sof(H30G)+
 Sof(H30H)+Sof(C303)+Sof(H30I)+Sof(H30J)+Sof(C304)+Sof(H30K)+Sof(H30L)+
 Sof(H30M)+Sof(C305)+Sof(H30N)+Sof(H30O)+Sof(C306)+Sof(H30P)+Sof(H30Q)+
 Sof(H30R)+Sof(C307)+Sof(H30S)+Sof(H30T)+Sof(C308)+Sof(H30U)+Sof(H30V)+
 Sof(H30W)+Sof(C309)+Sof(H30X)+Sof(H30Y)+Sof(C310)+Sof(H31D)+Sof(H31E)+
 Sof(H31F)+Sof(C311)+Sof(H31G)+Sof(H31H)+Sof(C312)+Sof(H31I)+Sof(H31J)+
 Sof(H31K)]=1 with esd of 0.000001
 Sof(P101)=Sof(P102)=Sof(P103)=Sof(O101)=Sof(O102)=Sof(O103)=Sof(O104)=
 Sof(O105)=Sof(O106)=Sof(O107)=Sof(O108)=Sof(O109)=Sof(C101)=Sof(H10A)=
 Sof(H10B)=Sof(C102)=Sof(H10C)=Sof(H10D)=Sof(H10E)=Sof(C103)=Sof(H10F)=
 Sof(H10G)=Sof(C104)=Sof(H10H)=Sof(H10I)=Sof(H10J)=Sof(C105)=Sof(H10K)=
 Sof(H10L)=Sof(C106)=Sof(H10M)=Sof(H10N)=Sof(H10O)=Sof(C107)=Sof(H10P)=
 Sof(H10Q)=Sof(C108)=Sof(H10R)=Sof(H10S)=Sof(H10T)=Sof(C109)=Sof(H10U)=
 Sof(H10V)=Sof(C110)=Sof(H11A)=Sof(H11B)=Sof(H11C)=Sof(C111)=Sof(H11D)=
 Sof(H11E)=Sof(C112)=Sof(H11F)=Sof(H11G)=Sof(H11H)=FVAR(1)
 Sof(C40A)=Sof(H40A)=Sof(C41A)=Sof(H41A)=Sof(H41B)=Sof(H41C)=Sof(C42A)=
 Sof(H42A)=Sof(H42B)=Sof(H42C)=1-FVAR(2)
 Sof(C40)=Sof(H40)=Sof(C41)=Sof(H41D)=Sof(H41E)=Sof(H41F)=Sof(C42)=Sof(H42D)=
 Sof(H42E)=Sof(H42F)=FVAR(2)
 Sof(C67A)=Sof(C68A)=Sof(H68A)=Sof(H68B)=Sof(H68C)=Sof(C69A)=Sof(H69A)=
 Sof(H69B)=Sof(H69C)=Sof(C70A)=Sof(H70A)=Sof(H70B)=Sof(H70C)=1-FVAR(3)
 Sof(C67)=Sof(C68)=Sof(H68D)=Sof(H68E)=Sof(H68F)=Sof(C69)=Sof(H69D)=Sof(H69E)=
 Sof(H69F)=Sof(C70)=Sof(H70D)=Sof(H70E)=Sof(H70F)=FVAR(3)
 Sof(P201)=Sof(P202)=Sof(P203)=Sof(O201)=Sof(O202)=Sof(O203)=Sof(O204)=
 Sof(O205)=Sof(O206)=Sof(O207)=Sof(O208)=Sof(O209)=Sof(C201)=Sof(H20A)=
 Sof(H20B)=Sof(C202)=Sof(H20C)=Sof(H20D)=Sof(H20E)=Sof(C203)=Sof(H20F)=
 Sof(H20G)=Sof(C204)=Sof(H20H)=Sof(H20I)=Sof(H20J)=Sof(C205)=Sof(H20K)=
 Sof(H20L)=Sof(C206)=Sof(H20M)=Sof(H20N)=Sof(H20O)=Sof(C207)=Sof(H20P)=
 Sof(H20Q)=Sof(C208)=Sof(H20R)=Sof(H20S)=Sof(H20T)=Sof(C209)=Sof(H20U)=
 Sof(H20V)=Sof(C210)=Sof(H21A)=Sof(H21B)=Sof(H21C)=Sof(C211)=Sof(H21D)=
 Sof(H21E)=Sof(C212)=Sof(H21F)=Sof(H21G)=Sof(H21H)=FVAR(4)
 Sof(P301)=Sof(P302)=Sof(P303)=Sof(O301)=Sof(O302)=Sof(O303)=Sof(O304)=
 Sof(O305)=Sof(O306)=Sof(O307)=Sof(O308)=Sof(O309)=Sof(C301)=Sof(H30D)=
 Sof(H30E)=Sof(C302)=Sof(H30F)=Sof(H30G)=Sof(H30H)=Sof(C303)=Sof(H30I)=
 Sof(H30J)=Sof(C304)=Sof(H30K)=Sof(H30L)=Sof(H30M)=Sof(C305)=Sof(H30N)=
 Sof(H30O)=Sof(C306)=Sof(H30P)=Sof(H30Q)=Sof(H30R)=Sof(C307)=Sof(H30S)=
 Sof(H30T)=Sof(C308)=Sof(H30U)=Sof(H30V)=Sof(H30W)=Sof(C309)=Sof(H30X)=
 Sof(H30Y)=Sof(C310)=Sof(H31D)=Sof(H31E)=Sof(H31F)=Sof(C311)=Sof(H31G)=
 Sof(H31H)=Sof(C312)=Sof(H31I)=Sof(H31J)=Sof(H31K)=FVAR(5)
8.a Ternary CH refined with riding coordinates:
 C23(H23), C26(H26), C29(H29), C34(H34), C37(H37), C40A(H40A), C40(H40)
8.b Secondary CH2 refined with riding coordinates:
 C301(H30D,H30E), C303(H30I,H30J), C305(H30N,H30O), C307(H30S,H30T), C309(H30X,
 H30Y), C311(H31G,H31H), C201(H20A,H20B), C203(H20F,H20G), C205(H20K,H20L),
 C207(H20P,H20Q), C209(H20U,H20V), C211(H21D,H21E), C101(H10A,H10B), C103(H10F,
 H10G), C105(H10K,H10L), C107(H10P,H10Q), C109(H10U,H10V), C111(H11D,H11E)
8.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C7(H7), C8(H8), C12(H12), C13(H13), C17(H17), C18(H18),
 C44(H44), C46(H46), C48(H48), C58(H58), C60(H60), C62(H62), C121(H121),
 C122(H122), C123(H123), C124(H124), C125(H125)
8.d Idealised Me refined as rotating group:
 C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C27(H27A,H27B,H27C), C28(H28A,H28B,
 H28C), C30(H30A,H30B,H30C), C31(H31A,H31B,H31C), C35(H35A,H35B,H35C), C36(H36A,
 H36B,H36C), C38(H38A,H38B,H38C), C39(H39A,H39B,H39C), C50(H50A,H50B,H50C),
 C51(H51A,H51B,H51C), C52(H52A,H52B,H52C), C54(H54A,H54B,H54C), C55(H55A,H55B,
 H55C), C56(H56A,H56B,H56C), C64(H64A,H64B,H64C), C65(H65A,H65B,H65C), C66(H66A,
 H66B,H66C), C302(H30F,H30G,H30H), C304(H30K,H30L,H30M), C306(H30P,H30Q,H30R),
 C308(H30U,H30V,H30W), C310(H31D,H31E,H31F), C312(H31I,H31J,H31K), C202(H20C,
 H20D,H20E), C204(H20H,H20I,H20J), C206(H20M,H20N,H20O), C208(H20R,H20S,H20T),
 C210(H21A,H21B,H21C), C212(H21F,H21G,H21H), C102(H10C,H10D,H10E), C104(H10H,
 H10I,H10J), C106(H10M,H10N,H10O), C108(H10R,H10S,H10T), C110(H11A,H11B,H11C),
 C112(H11F,H11G,H11H), C68A(H68A,H68B,H68C), C69A(H69A,H69B,H69C), C70A(H70A,
 H70B,H70C), C41A(H41A,H41B,H41C), C42A(H42A,H42B,H42C), C68(H68D,H68E,H68F),
 C69(H69D,H69E,H69F), C70(H70D,H70E,H70F), C41(H41D,H41E,H41F), C42(H42D,H42E,
 H42F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Gd1 Gd 0.36649(2) 0.63596(2) 0.45959(2) 0.01634(3) Uani 1 1 d . U . . .
Co1 Co 0.57669(3) 0.59008(2) 0.71627(3) 0.02603(8) Uani 1 1 d . U . . .
Si1 Si -0.00093(5) 0.48581(2) 0.15399(5) 0.02092(14) Uani 1 1 d . U . . .
Si2 Si 0.54759(6) 0.83177(2) 0.58137(5) 0.02572(16) Uani 1 1 d . U . . .
N1 N 0.20038(15) 0.62384(6) 0.38876(15) 0.0193(4) Uani 1 1 d . U . . .
N2 N 0.32529(16) 0.61105(6) 0.30965(15) 0.0183(4) Uani 1 1 d . U . . .
N3 N 0.41587(15) 0.67728(6) 0.38201(14) 0.0179(4) Uani 1 1 d . U . . .
N4 N 0.29471(15) 0.68941(6) 0.46587(15) 0.0194(4) Uani 1 1 d . U . . .
C1 C 0.14366(19) 0.63542(7) 0.42432(19) 0.0220(5) Uani 1 1 d . U . . .
C2 C 0.0660(2) 0.61166(8) 0.3983(2) 0.0252(6) Uani 1 1 d . U . . .
H2 H 0.0171 0.6136 0.4139 0.030 Uiso 1 1 calc R . . . .
C3 C 0.0762(2) 0.58630(8) 0.3477(2) 0.0230(6) Uani 1 1 d . U . . .
H3 H 0.0362 0.5669 0.3214 0.028 Uiso 1 1 calc R . . . .
C4 C 0.15960(19) 0.59418(7) 0.34104(19) 0.0187(5) Uani 1 1 d . U . . .
C5 C 0.19192(18) 0.57469(7) 0.28898(18) 0.0199(5) Uani 1 1 d . U . . .
C6 C 0.26859(19) 0.58276(7) 0.27410(18) 0.0204(5) Uani 1 1 d . U . . .
C7 C 0.2942(2) 0.56363(7) 0.2145(2) 0.0265(6) Uani 1 1 d . U . . .
H7 H 0.2663 0.5428 0.1825 0.032 Uiso 1 1 calc R . . . .
C8 C 0.3654(2) 0.58098(8) 0.2124(2) 0.0252(6) Uani 1 1 d . U . . .
H8 H 0.3966 0.5747 0.1783 0.030 Uiso 1 1 calc R . . . .
C9 C 0.38504(18) 0.61096(7) 0.27241(17) 0.0192(5) Uani 1 1 d . U . . .
C10 C 0.45114(19) 0.63689(6) 0.28590(18) 0.0184(5) Uani 1 1 d . U . . .
C11 C 0.46439(17) 0.66786(7) 0.33615(17) 0.0181(5) Uani 1 1 d . U . . .
C12 C 0.52958(19) 0.69491(7) 0.34576(19) 0.0230(5) Uani 1 1 d . U . . .
H12 H 0.5724 0.6946 0.3219 0.028 Uiso 1 1 calc R . . . .
C13 C 0.5182(2) 0.72066(8) 0.3951(2) 0.0248(6) Uani 1 1 d . U . . .
H13 H 0.5513 0.7419 0.4121 0.030 Uiso 1 1 calc R . . . .
C14 C 0.44634(18) 0.70964(7) 0.41686(17) 0.0192(5) Uani 1 1 d . U . . .
C15 C 0.41035(19) 0.73004(7) 0.46402(18) 0.0189(5) Uani 1 1 d . U . . .
C16 C 0.33585(19) 0.72112(7) 0.48178(18) 0.0200(5) Uani 1 1 d . U . . .
C17 C 0.2910(2) 0.74465(8) 0.5155(2) 0.0266(6) Uani 1 1 d . U . . .
H17 H 0.3074 0.7681 0.5322 0.032 Uiso 1 1 calc R . . . .
C18 C 0.2206(2) 0.72692(8) 0.5187(2) 0.0272(6) Uani 1 1 d . U . . .
H18 H 0.1783 0.7356 0.5382 0.033 Uiso 1 1 calc R . . . .
C19 C 0.22229(18) 0.69235(7) 0.48696(18) 0.0218(5) Uani 1 1 d . U . . .
C20 C 0.15595(19) 0.66663(7) 0.47239(18) 0.0225(5) Uani 1 1 d . U . . .
C21 C 0.13650(19) 0.54489(7) 0.24187(19) 0.0222(5) Uani 1 1 d . U . . .
C22 C 0.0856(2) 0.52092(7) 0.2023(2) 0.0247(5) Uani 1 1 d . U . . .
C23 C 0.0532(2) 0.44784(8) 0.1257(2) 0.0314(7) Uani 1 1 d . U . . .
H23 H 0.0919 0.4352 0.1857 0.038 Uiso 1 1 calc R . . . .
C24 C -0.0212(3) 0.42236(8) 0.0584(3) 0.0402(8) Uani 1 1 d . U . . .
H24A H -0.0546 0.4325 -0.0043 0.060 Uiso 1 1 calc GR . . . .
H24B H -0.0662 0.4173 0.0804 0.060 Uiso 1 1 calc GR . . . .
H24C H 0.0097 0.4010 0.0560 0.060 Uiso 1 1 calc GR . . . .
C25 C 0.1204(3) 0.45815(10) 0.0883(3) 0.0463(9) Uani 1 1 d . U . . .
H25A H 0.1711 0.4726 0.1347 0.069 Uiso 1 1 calc GR . . . .
H25B H 0.0854 0.4711 0.0299 0.069 Uiso 1 1 calc GR . . . .
H25C H 0.1474 0.4374 0.0767 0.069 Uiso 1 1 calc GR . . . .
C26 C -0.0294(2) 0.47568(8) 0.2502(2) 0.0315(6) Uani 1 1 d . U . . .
H26 H -0.0526 0.4976 0.2642 0.038 Uiso 1 1 calc R . . . .
C27 C 0.0587(3) 0.46507(11) 0.3404(3) 0.0493(9) Uani 1 1 d . U . . .
H27A H 0.1060 0.4834 0.3596 0.074 Uiso 1 1 calc GR . . . .
H27B H 0.0844 0.4438 0.3296 0.074 Uiso 1 1 calc GR . . . .
H27C H 0.0421 0.4612 0.3898 0.074 Uiso 1 1 calc GR . . . .
C28 C -0.1072(3) 0.44901(10) 0.2239(3) 0.0500(10) Uani 1 1 d . U . . .
H28A H -0.0865 0.4268 0.2117 0.075 Uiso 1 1 calc GR . . . .
H28B H -0.1640 0.4566 0.1677 0.075 Uiso 1 1 calc GR . . . .
H28C H -0.1211 0.4464 0.2756 0.075 Uiso 1 1 calc GR . . . .
C29 C -0.1085(2) 0.50275(8) 0.0477(2) 0.0303(6) Uani 1 1 d . U . . .
H29 H -0.1531 0.4830 0.0195 0.036 Uiso 1 1 calc R . . . .
C30 C -0.1591(3) 0.53041(13) 0.0744(3) 0.0574(11) Uani 1 1 d . U . . .
H30A H -0.1158 0.5495 0.1062 0.086 Uiso 1 1 calc GR . . . .
H30B H -0.1799 0.5203 0.1162 0.086 Uiso 1 1 calc GR . . . .
H30C H -0.2139 0.5390 0.0177 0.086 Uiso 1 1 calc GR . . . .
C31 C -0.0855(2) 0.51625(9) -0.0268(2) 0.0365(7) Uani 1 1 d . U . . .
H31A H -0.0572 0.4977 -0.0456 0.055 Uiso 1 1 calc GR . . . .
H31B H -0.0411 0.5355 -0.0011 0.055 Uiso 1 1 calc GR . . . .
H31C H -0.1434 0.5242 -0.0813 0.055 Uiso 1 1 calc GR . . . .
C32 C 0.45084(19) 0.76378(7) 0.49424(17) 0.0224(5) Uani 1 1 d . U . . .
C33 C 0.4843(2) 0.79201(7) 0.52238(19) 0.0262(6) Uani 1 1 d . U . . .
C34 C 0.6706(2) 0.81777(9) 0.6682(2) 0.0392(8) Uani 1 1 d . U . . .
H34 H 0.7044 0.8384 0.7066 0.047 Uiso 1 1 calc R . . . .
C35 C 0.6700(3) 0.79039(9) 0.7351(2) 0.0433(8) Uani 1 1 d . U . . .
H35A H 0.6342 0.7703 0.6992 0.065 Uiso 1 1 calc GR . . . .
H35B H 0.6407 0.7999 0.7702 0.065 Uiso 1 1 calc GR . . . .
H35C H 0.7349 0.7835 0.7787 0.065 Uiso 1 1 calc GR . . . .
C36 C 0.7258(3) 0.80494(15) 0.6214(3) 0.0658(13) Uani 1 1 d . U . . .
H36A H 0.7296 0.8233 0.5822 0.099 Uiso 1 1 calc GR . . . .
H36B H 0.6939 0.7849 0.5825 0.099 Uiso 1 1 calc GR . . . .
H36C H 0.7894 0.7984 0.6694 0.099 Uiso 1 1 calc GR . . . .
C37 C 0.5524(3) 0.86039(8) 0.4905(2) 0.0342(7) Uani 1 1 d . U . . .
H37 H 0.5815 0.8460 0.4605 0.041 Uiso 1 1 calc R . . . .
C38 C 0.4582(3) 0.87209(10) 0.4114(3) 0.0491(9) Uani 1 1 d . U . . .
H38A H 0.4324 0.8903 0.4340 0.074 Uiso 1 1 calc GR . . . .
H38B H 0.4145 0.8525 0.3891 0.074 Uiso 1 1 calc GR . . . .
H38C H 0.4666 0.8810 0.3599 0.074 Uiso 1 1 calc GR . . . .
C39 C 0.6186(3) 0.89108(10) 0.5341(3) 0.0477(9) Uani 1 1 d . U . . .
H39A H 0.6807 0.8828 0.5814 0.071 Uiso 1 1 calc GR . . . .
H39B H 0.5929 0.9065 0.5636 0.071 Uiso 1 1 calc GR . . . .
H39C H 0.6246 0.9036 0.4853 0.071 Uiso 1 1 calc GR . . . .
C43 C 0.50933(18) 0.63171(6) 0.23883(18) 0.0176(5) Uani 1 1 d . U . . .
C44 C 0.57304(18) 0.60438(6) 0.26421(18) 0.0194(5) Uani 1 1 d . U . . .
H44 H 0.5798 0.5891 0.3125 0.023 Uiso 1 1 calc R . . . .
C45 C 0.62690(18) 0.59906(7) 0.22019(19) 0.0212(5) Uani 1 1 d . U . . .
C46 C 0.6156(2) 0.62219(8) 0.1497(2) 0.0247(5) Uani 1 1 d . U . . .
H46 H 0.6515 0.6188 0.1187 0.030 Uiso 1 1 calc R . . . .
C47 C 0.5537(2) 0.64999(7) 0.12329(18) 0.0232(5) Uani 1 1 d . U . . .
C48 C 0.49990(19) 0.65412(7) 0.16828(18) 0.0206(5) Uani 1 1 d . U . . .
H48 H 0.4561 0.6726 0.1504 0.025 Uiso 1 1 calc R . . . .
C49 C 0.6944(2) 0.56824(7) 0.2441(2) 0.0291(6) Uani 1 1 d . U . . .
C50 C 0.7034(3) 0.54788(9) 0.3279(3) 0.0431(9) Uani 1 1 d . U . . .
H50A H 0.6415 0.5389 0.3138 0.065 Uiso 1 1 calc GR . . . .
H50B H 0.7274 0.5630 0.3827 0.065 Uiso 1 1 calc GR . . . .
H50C H 0.7471 0.5286 0.3410 0.065 Uiso 1 1 calc GR . . . .
C51 C 0.6562(3) 0.54408(9) 0.1598(3) 0.0420(8) Uani 1 1 d . U . . .
H51A H 0.6525 0.5564 0.1058 0.063 Uiso 1 1 calc GR . . . .
H51B H 0.5933 0.5361 0.1450 0.063 Uiso 1 1 calc GR . . . .
H51C H 0.6984 0.5242 0.1744 0.063 Uiso 1 1 calc GR . . . .
C52 C 0.7931(2) 0.58099(9) 0.2671(3) 0.0447(9) Uani 1 1 d . U . . .
H52A H 0.8175 0.5965 0.3212 0.067 Uiso 1 1 calc GR . . . .
H52B H 0.7891 0.5934 0.2131 0.067 Uiso 1 1 calc GR . . . .
H52C H 0.8354 0.5612 0.2816 0.067 Uiso 1 1 calc GR . . . .
C53 C 0.5403(3) 0.67564(9) 0.0460(2) 0.0350(7) Uani 1 1 d . U . . .
C54 C 0.4382(3) 0.67220(11) -0.0348(2) 0.0529(10) Uani 1 1 d . U . . .
H54A H 0.3943 0.6788 -0.0126 0.079 Uiso 1 1 calc GR . . . .
H54B H 0.4264 0.6483 -0.0567 0.079 Uiso 1 1 calc GR . . . .
H54C H 0.4292 0.6874 -0.0864 0.079 Uiso 1 1 calc GR . . . .
C55 C 0.6079(4) 0.66963(13) 0.0087(4) 0.0713(15) Uani 1 1 d . U . . .
H55A H 0.5964 0.6468 -0.0206 0.107 Uiso 1 1 calc GR . . . .
H55B H 0.6728 0.6708 0.0603 0.107 Uiso 1 1 calc GR . . . .
H55C H 0.5984 0.6873 -0.0378 0.107 Uiso 1 1 calc GR . . . .
C56 C 0.5532(3) 0.71271(9) 0.0834(2) 0.0404(8) Uani 1 1 d . U . . .
H56A H 0.6170 0.7155 0.1361 0.061 Uiso 1 1 calc GR . . . .
H56B H 0.5071 0.7174 0.1043 0.061 Uiso 1 1 calc GR . . . .
H56C H 0.5437 0.7289 0.0336 0.061 Uiso 1 1 calc GR . . . .
C57 C 0.0865(2) 0.67491(7) 0.5054(2) 0.0247(5) Uani 1 1 d . U . . .
C58 C -0.0036(2) 0.68570(8) 0.4426(2) 0.0261(6) Uani 1 1 d . U . . .
H58 H -0.0222 0.6868 0.3779 0.031 Uiso 1 1 calc R . . . .
C59 C -0.06808(19) 0.69503(7) 0.4725(2) 0.0242(5) Uani 1 1 d . U . . .
C60 C -0.0392(2) 0.69236(8) 0.5676(2) 0.0254(6) Uani 1 1 d . U . . .
H60 H -0.0825 0.6982 0.5888 0.030 Uiso 1 1 calc R . . . .
C61 C 0.0515(2) 0.68141(7) 0.6330(2) 0.0247(5) Uani 1 1 d . U . . .
C62 C 0.1143(2) 0.67300(7) 0.6006(2) 0.0252(5) Uani 1 1 d . U . . .
H62 H 0.1765 0.6659 0.6438 0.030 Uiso 1 1 calc R . . . .
C63 C -0.1674(2) 0.70654(7) 0.4004(2) 0.0270(6) Uani 1 1 d . U . . .
C64 C -0.2244(2) 0.67492(9) 0.3462(3) 0.0382(8) Uani 1 1 d . U . . .
H64A H -0.2275 0.6584 0.3898 0.057 Uiso 1 1 calc GR . . . .
H64B H -0.1939 0.6641 0.3137 0.057 Uiso 1 1 calc GR . . . .
H64C H -0.2883 0.6821 0.3003 0.057 Uiso 1 1 calc GR . . . .
C65 C -0.1633(2) 0.73171(9) 0.3301(3) 0.0381(7) Uani 1 1 d . U . . .
H65A H -0.1362 0.7200 0.2956 0.057 Uiso 1 1 calc GR . . . .
H65B H -0.1241 0.7516 0.3636 0.057 Uiso 1 1 calc GR . . . .
H65C H -0.2271 0.7396 0.2861 0.057 Uiso 1 1 calc GR . . . .
C66 C -0.2187(2) 0.72487(9) 0.4460(3) 0.0360(7) Uani 1 1 d . U . . .
H66A H -0.1799 0.7439 0.4849 0.054 Uiso 1 1 calc GR . . . .
H66B H -0.2300 0.7085 0.4850 0.054 Uiso 1 1 calc GR . . . .
H66C H -0.2791 0.7339 0.3971 0.054 Uiso 1 1 calc GR . . . .
C121 C 0.6834(2) 0.55334(9) 0.7741(3) 0.0428(8) Uani 1 1 d . U . . .
H121 H 0.7017 0.5383 0.7399 0.051 Uiso 1 1 calc R . . . .
C122 C 0.7207(2) 0.58658(9) 0.8070(2) 0.0379(7) Uani 1 1 d . U . . .
H122 H 0.7676 0.5979 0.7981 0.046 Uiso 1 1 calc R . . . .
C123 C 0.6754(3) 0.59994(10) 0.8555(2) 0.0453(9) Uani 1 1 d . U . . .
H123 H 0.6866 0.6218 0.8853 0.054 Uiso 1 1 calc R . . . .
C124 C 0.6109(3) 0.57505(12) 0.8517(3) 0.0535(10) Uani 1 1 d . U . . .
H124 H 0.5710 0.5771 0.8788 0.064 Uiso 1 1 calc R . . . .
C125 C 0.6153(3) 0.54629(10) 0.8003(3) 0.0516(10) Uani 1 1 d . U . . .
H125 H 0.5785 0.5259 0.7863 0.062 Uiso 1 1 calc R . . . .
P301 P 0.4241(3) 0.57554(10) 0.6506(3) 0.0206(8) Uani 0.326(3) 1 d D U P A 3
P302 P 0.5643(8) 0.5811(3) 0.5754(10) 0.023(2) Uani 0.326(3) 1 d D U P A 3
P303 P 0.5514(7) 0.6429(3) 0.6962(7) 0.0272(16) Uani 0.326(3) 1 d D U P A 3
O301 O 0.3581(12) 0.5999(3) 0.5751(9) 0.022(3) Uani 0.326(3) 1 d D U P A 3
O302 O 0.4857(16) 0.5968(7) 0.4878(15) 0.020(4) Uani 0.326(3) 1 d D U P A 3
O303 O 0.4896(16) 0.6564(7) 0.5981(11) 0.023(4) Uani 0.326(3) 1 d D U P A 3
O304 O 0.3865(5) 0.56765(19) 0.7231(5) 0.0343(14) Uani 0.326(3) 1 d D U P A 3
O305 O 0.4084(6) 0.53805(17) 0.6068(7) 0.0454(16) Uani 0.326(3) 1 d D U P A 3
O306 O 0.5659(17) 0.5399(3) 0.5606(13) 0.041(2) Uani 0.326(3) 1 d D U P A 3
O307 O 0.6641(8) 0.5969(3) 0.5939(9) 0.042(2) Uani 0.326(3) 1 d D U P A 3
O308 O 0.6558(8) 0.6602(3) 0.7367(9) 0.042(2) Uani 0.326(3) 1 d D U P A 3
O309 O 0.5078(7) 0.6578(3) 0.7579(7) 0.042(3) Uani 0.326(3) 1 d D U P A 3
C301 C 0.3542(9) 0.5951(3) 0.7609(8) 0.0343(14) Uani 0.326(3) 1 d D U P A 3
H30D H 0.2945 0.6051 0.7116 0.041 Uiso 0.326(3) 1 calc R . P A 3
H30E H 0.4019 0.6137 0.7874 0.041 Uiso 0.326(3) 1 calc R . P A 3
C302 C 0.3398(9) 0.5784(4) 0.8363(8) 0.0343(14) Uani 0.326(3) 1 d D U P A 3
H30F H 0.2866 0.5623 0.8077 0.051 Uiso 0.326(3) 1 calc GR . P A 3
H30G H 0.3266 0.5962 0.8709 0.051 Uiso 0.326(3) 1 calc GR . P A 3
H30H H 0.3968 0.5658 0.8794 0.051 Uiso 0.326(3) 1 calc GR . P A 3
C303 C 0.3185(8) 0.5225(3) 0.5439(10) 0.0454(16) Uani 0.326(3) 1 d D U P A 3
H30I H 0.2868 0.5367 0.4865 0.054 Uiso 0.326(3) 1 calc R . P A 3
H30J H 0.2785 0.5227 0.5740 0.054 Uiso 0.326(3) 1 calc R . P A 3
C304 C 0.3265(9) 0.4869(3) 0.5176(10) 0.0454(16) Uani 0.326(3) 1 d D U P A 3
H30K H 0.3342 0.4871 0.4618 0.068 Uiso 0.326(3) 1 calc GR . P A 3
H30L H 0.2694 0.4741 0.5043 0.068 Uiso 0.326(3) 1 calc GR . P A 3
H30M H 0.3813 0.4758 0.5692 0.068 Uiso 0.326(3) 1 calc GR . P A 3
C305 C 0.5548(10) 0.5288(3) 0.4710(11) 0.041(2) Uani 0.326(3) 1 d D U P A 3
H30N H 0.6159 0.5204 0.4793 0.049 Uiso 0.326(3) 1 calc R . P A 3
H30O H 0.5349 0.5486 0.4274 0.049 Uiso 0.326(3) 1 calc R . P A 3
C306 C 0.4819(9) 0.5003(3) 0.4299(9) 0.041(2) Uani 0.326(3) 1 d D U P A 3
H30P H 0.4210 0.5089 0.4202 0.062 Uiso 0.326(3) 1 calc GR . P A 3
H30Q H 0.5018 0.4807 0.4731 0.062 Uiso 0.326(3) 1 calc GR . P A 3
H30R H 0.4757 0.4929 0.3699 0.062 Uiso 0.326(3) 1 calc GR . P A 3
C307 C 0.6569(9) 0.6252(6) 0.5320(17) 0.042(2) Uani 0.326(3) 1 d D U P A 3
H30S H 0.6258 0.6453 0.5425 0.050 Uiso 0.326(3) 1 calc R . P A 3
H30T H 0.6197 0.6180 0.4658 0.050 Uiso 0.326(3) 1 calc R . P A 3
C308 C 0.7543(9) 0.6340(4) 0.5547(12) 0.042(2) Uani 0.326(3) 1 d D U P A 3
H30U H 0.7872 0.6131 0.5529 0.063 Uiso 0.326(3) 1 calc GR . P A 3
H30V H 0.7875 0.6442 0.6174 0.063 Uiso 0.326(3) 1 calc GR . P A 3
H30W H 0.7526 0.6506 0.5088 0.063 Uiso 0.326(3) 1 calc GR . P A 3
C309 C 0.6826(10) 0.6952(3) 0.7322(10) 0.042(2) Uani 0.326(3) 1 d D U P A 3
H30X H 0.6440 0.7032 0.6669 0.051 Uiso 0.326(3) 1 calc R . P A 3
H30Y H 0.6650 0.7094 0.7714 0.051 Uiso 0.326(3) 1 calc R . P A 3
C310 C 0.7774(9) 0.7020(3) 0.7596(9) 0.042(2) Uani 0.326(3) 1 d D U P A 3
H31D H 0.7998 0.6856 0.7293 0.063 Uiso 0.326(3) 1 calc GR . P A 3
H31E H 0.8155 0.6998 0.8277 0.063 Uiso 0.326(3) 1 calc GR . P A 3
H31F H 0.7832 0.7255 0.7410 0.063 Uiso 0.326(3) 1 calc GR . P A 3
C311 C 0.4287(9) 0.6812(4) 0.7206(9) 0.042(3) Uani 0.326(3) 1 d D U P A 3
H31G H 0.3930 0.6776 0.7546 0.051 Uiso 0.326(3) 1 calc R . P A 3
H31H H 0.3864 0.6754 0.6542 0.051 Uiso 0.326(3) 1 calc R . P A 3
C312 C 0.4541(10) 0.7183(4) 0.7267(8) 0.042(3) Uani 0.326(3) 1 d D U P A 3
H31I H 0.4869 0.7224 0.6908 0.063 Uiso 0.326(3) 1 calc GR . P A 3
H31J H 0.4954 0.7245 0.7923 0.063 Uiso 0.326(3) 1 calc GR . P A 3
H31K H 0.3968 0.7323 0.7011 0.063 Uiso 0.326(3) 1 calc GR . P A 3
P201 P 0.4540(4) 0.62080(17) 0.7045(4) 0.0287(14) Uani 0.1227(15) 1 d D U P A 2
P202 P 0.4987(5) 0.56369(16) 0.5969(4) 0.0319(15) Uani 0.1227(15) 1 d D U P A 2
P203 P 0.6079(4) 0.63255(17) 0.6495(4) 0.0294(14) Uani 0.1227(15) 1 d D U P A 2
O201 O 0.3742(10) 0.6278(6) 0.6071(8) 0.027(3) Uani 0.1227(15) 1 d D U P A 2
O202 O 0.4308(12) 0.5817(4) 0.5070(9) 0.030(3) Uani 0.1227(15) 1 d D U P A 2
O203 O 0.5257(10) 0.6502(5) 0.5683(12) 0.029(4) Uani 0.1227(15) 1 d D U P A 2
O204 O 0.4852(16) 0.6566(4) 0.7605(14) 0.0316(13) Uani 0.1227(15) 1 d D U P A 2
O205 O 0.416(2) 0.5975(9) 0.759(2) 0.0316(13) Uani 0.1227(15) 1 d D U P A 2
O206 O 0.4400(12) 0.5342(4) 0.6146(14) 0.0316(13) Uani 0.1227(15) 1 d D U P A 2
O207 O 0.5732(14) 0.5432(8) 0.575(2) 0.0316(13) Uani 0.1227(15) 1 d D U P A 2
O208 O 0.6750(12) 0.6150(5) 0.6142(11) 0.0316(13) Uani 0.1227(15) 1 d D U P A 2
O209 O 0.673(2) 0.6607(7) 0.723(2) 0.0316(13) Uani 0.1227(15) 1 d D U P A 2
C201 C 0.446(2) 0.6914(5) 0.733(2) 0.0316(13) Uani 0.1227(15) 1 d D U P A 2
H20A H 0.3974 0.6951 0.7515 0.038 Uiso 0.1227(15) 1 calc R . P A 2
H20B H 0.4163 0.6937 0.6642 0.038 Uiso 0.1227(15) 1 calc R . P A 2
C202 C 0.522(2) 0.7184(6) 0.7785(19) 0.0316(13) Uani 0.1227(15) 1 d D U P A 2
H20C H 0.5121 0.7366 0.7332 0.047 Uiso 0.1227(15) 1 calc GR . P A 2
H20D H 0.5839 0.7077 0.7996 0.047 Uiso 0.1227(15) 1 calc GR . P A 2
H20E H 0.5194 0.7283 0.8322 0.047 Uiso 0.1227(15) 1 calc GR . P A 2
C203 C 0.3227(18) 0.5868(7) 0.7386(18) 0.0316(13) Uani 0.1227(15) 1 d D U P A 2
H20F H 0.2907 0.5754 0.6767 0.038 Uiso 0.1227(15) 1 calc R . P A 2
H20G H 0.2852 0.6072 0.7364 0.038 Uiso 0.1227(15) 1 calc R . P A 2
C204 C 0.329(2) 0.5626(7) 0.8110(19) 0.0316(13) Uani 0.1227(15) 1 d D U P A 2
H20H H 0.3339 0.5390 0.7929 0.047 Uiso 0.1227(15) 1 calc GR . P A 2
H20I H 0.2720 0.5647 0.8173 0.047 Uiso 0.1227(15) 1 calc GR . P A 2
H20J H 0.3843 0.5681 0.8709 0.047 Uiso 0.1227(15) 1 calc GR . P A 2
C205 C 0.3432(13) 0.5282(6) 0.5872(19) 0.0316(13) Uani 0.1227(15) 1 d D U P A 2
H20K H 0.2986 0.5387 0.5266 0.038 Uiso 0.1227(15) 1 calc R . P A 2
H20L H 0.3264 0.5340 0.6362 0.038 Uiso 0.1227(15) 1 calc R . P A 2
C206 C 0.359(2) 0.4899(6) 0.5810(19) 0.0316(13) Uani 0.1227(15) 1 d D U P A 2
H20M H 0.2999 0.4775 0.5597 0.047 Uiso 0.1227(15) 1 calc GR . P A 2
H20N H 0.4059 0.4814 0.6428 0.047 Uiso 0.1227(15) 1 calc GR . P A 2
H20O H 0.3827 0.4863 0.5366 0.047 Uiso 0.1227(15) 1 calc GR . P A 2
C207 C 0.5195(17) 0.5223(6) 0.4943(15) 0.0316(13) Uani 0.1227(15) 1 d D U P A 2
H20P H 0.4573 0.5333 0.4564 0.038 Uiso 0.1227(15) 1 calc R . P A 2
H20Q H 0.5084 0.4997 0.5156 0.038 Uiso 0.1227(15) 1 calc R . P A 2
C208 C 0.5610(18) 0.5160(7) 0.4337(16) 0.0316(13) Uani 0.1227(15) 1 d D U P A 2
H20R H 0.5319 0.4955 0.3952 0.047 Uiso 0.1227(15) 1 calc GR . P A 2
H20S H 0.6289 0.5122 0.4722 0.047 Uiso 0.1227(15) 1 calc GR . P A 2
H20T H 0.5499 0.5360 0.3930 0.047 Uiso 0.1227(15) 1 calc GR . P A 2
C209 C 0.6822(17) 0.6049(8) 0.5334(15) 0.0316(13) Uani 0.1227(15) 1 d D U P A 2
H20U H 0.6862 0.5795 0.5326 0.038 Uiso 0.1227(15) 1 calc R . P A 2
H20V H 0.6238 0.6119 0.4766 0.038 Uiso 0.1227(15) 1 calc R . P A 2
C210 C 0.7585(18) 0.6187(7) 0.5289(19) 0.0316(13) Uani 0.1227(15) 1 d D U P A 2
H21A H 0.7412 0.6411 0.4975 0.047 Uiso 0.1227(15) 1 calc GR . P A 2
H21B H 0.7771 0.6031 0.4936 0.047 Uiso 0.1227(15) 1 calc GR . P A 2
H21C H 0.8113 0.6216 0.5923 0.047 Uiso 0.1227(15) 1 calc GR . P A 2
C211 C 0.6710(19) 0.6977(7) 0.719(2) 0.0316(13) Uani 0.1227(15) 1 d D U P A 2
H21D H 0.6252 0.7075 0.7361 0.038 Uiso 0.1227(15) 1 calc R . P A 2
H21E H 0.6563 0.7061 0.6562 0.038 Uiso 0.1227(15) 1 calc R . P A 2
C212 C 0.7711(17) 0.7059(7) 0.7914(18) 0.0316(13) Uani 0.1227(15) 1 d D U P A 2
H21F H 0.7962 0.7238 0.7672 0.047 Uiso 0.1227(15) 1 calc GR . P A 2
H21G H 0.8097 0.6851 0.8054 0.047 Uiso 0.1227(15) 1 calc GR . P A 2
H21H H 0.7724 0.7142 0.8485 0.047 Uiso 0.1227(15) 1 calc GR . P A 2
P101 P 0.42847(17) 0.58801(6) 0.66519(17) 0.0225(5) Uani 0.552(3) 1 d D U P A 1
P102 P 0.5663(4) 0.58025(17) 0.5821(6) 0.0230(13) Uani 0.552(3) 1 d D U P A 1
P103 P 0.5644(4) 0.64604(16) 0.6866(4) 0.0230(8) Uani 0.552(3) 1 d D U P A 1
O101 O 0.3602(6) 0.60935(19) 0.5836(5) 0.0184(16) Uani 0.552(3) 1 d D U P A 1
O102 O 0.4813(9) 0.5939(4) 0.4961(9) 0.020(2) Uani 0.552(3) 1 d D U P A 1
O103 O 0.4991(9) 0.6596(4) 0.5899(7) 0.0195(19) Uani 0.552(3) 1 d D U P A 1
O104 O 0.4163(5) 0.5970(3) 0.7541(5) 0.0378(9) Uani 0.552(3) 1 d D U P A 1
O105 O 0.3892(3) 0.54927(11) 0.6458(3) 0.0388(8) Uani 0.552(3) 1 d D U P A 1
O106 O 0.5729(13) 0.5395(3) 0.5683(9) 0.0562(19) Uani 0.552(3) 1 d D U P A 1
O107 O 0.6576(5) 0.58941(18) 0.5723(5) 0.0351(11) Uani 0.552(3) 1 d D U P A 1
O108 O 0.6690(7) 0.6598(3) 0.7197(9) 0.0437(14) Uani 0.552(3) 1 d D U P A 1
O109 O 0.5427(4) 0.66479(16) 0.7616(4) 0.0345(11) Uani 0.552(3) 1 d D U P A 1
C101 C 0.3243(5) 0.6009(2) 0.7483(5) 0.0378(9) Uani 0.552(3) 1 d D U P A 1
H10A H 0.2743 0.5952 0.6843 0.045 Uiso 0.552(3) 1 calc R . P A 1
H10B H 0.3156 0.6252 0.7612 0.045 Uiso 0.552(3) 1 calc R . P A 1
C102 C 0.3162(5) 0.5780(3) 0.8168(5) 0.0378(9) Uani 0.552(3) 1 d D U P A 1
H10C H 0.3193 0.5539 0.8007 0.057 Uiso 0.552(3) 1 calc GR . P A 1
H10D H 0.2559 0.5821 0.8151 0.057 Uiso 0.552(3) 1 calc GR . P A 1
H10E H 0.3679 0.5828 0.8798 0.057 Uiso 0.552(3) 1 calc GR . P A 1
C103 C 0.3386(5) 0.53673(18) 0.5497(5) 0.0388(8) Uani 0.552(3) 1 d D U P A 1
H10F H 0.3735 0.5432 0.5165 0.047 Uiso 0.552(3) 1 calc R . P A 1
H10G H 0.2757 0.5477 0.5169 0.047 Uiso 0.552(3) 1 calc R . P A 1
C104 C 0.3277(5) 0.49867(18) 0.5476(6) 0.0388(8) Uani 0.552(3) 1 d D U P A 1
H10H H 0.2880 0.4910 0.4829 0.058 Uiso 0.552(3) 1 calc GR . P A 1
H10I H 0.2981 0.4921 0.5852 0.058 Uiso 0.552(3) 1 calc GR . P A 1
H10J H 0.3897 0.4877 0.5733 0.058 Uiso 0.552(3) 1 calc GR . P A 1
C105 C 0.5678(7) 0.5249(2) 0.4854(7) 0.0562(19) Uani 0.552(3) 1 d D U P A 1
H10K H 0.6140 0.5058 0.5037 0.067 Uiso 0.552(3) 1 calc R . P A 1
H10L H 0.5862 0.5427 0.4540 0.067 Uiso 0.552(3) 1 calc R . P A 1
C106 C 0.4717(7) 0.5112(2) 0.4165(5) 0.0562(19) Uani 0.552(3) 1 d D U P A 1
H10M H 0.4759 0.4981 0.3676 0.084 Uiso 0.552(3) 1 calc GR . P A 1
H10N H 0.4281 0.5306 0.3881 0.084 Uiso 0.552(3) 1 calc GR . P A 1
H10O H 0.4486 0.4963 0.4492 0.084 Uiso 0.552(3) 1 calc GR . P A 1
C107 C 0.6705(5) 0.6220(3) 0.5367(9) 0.0351(11) Uani 0.552(3) 1 d D U P A 1
H10P H 0.6428 0.6409 0.5560 0.042 Uiso 0.552(3) 1 calc R . P A 1
H10Q H 0.6384 0.6214 0.4675 0.042 Uiso 0.552(3) 1 calc R . P A 1
C108 C 0.7729(5) 0.6281(2) 0.5744(6) 0.0351(11) Uani 0.552(3) 1 d D U P A 1
H10R H 0.7823 0.6501 0.5506 0.053 Uiso 0.552(3) 1 calc GR . P A 1
H10S H 0.7997 0.6094 0.5546 0.053 Uiso 0.552(3) 1 calc GR . P A 1
H10T H 0.8042 0.6289 0.6429 0.053 Uiso 0.552(3) 1 calc GR . P A 1
C109 C 0.6821(6) 0.6948(2) 0.6991(6) 0.0437(14) Uani 0.552(3) 1 d D U P A 1
H10U H 0.6437 0.6987 0.6309 0.052 Uiso 0.552(3) 1 calc R . P A 1
H10V H 0.6587 0.7106 0.7308 0.052 Uiso 0.552(3) 1 calc R . P A 1
C110 C 0.7756(5) 0.7030(2) 0.7269(6) 0.0437(14) Uani 0.552(3) 1 d D U P A 1
H11A H 0.7969 0.6896 0.6899 0.066 Uiso 0.552(3) 1 calc GR . P A 1
H11B H 0.8151 0.6975 0.7933 0.066 Uiso 0.552(3) 1 calc GR . P A 1
H11C H 0.7806 0.7277 0.7170 0.066 Uiso 0.552(3) 1 calc GR . P A 1
C111 C 0.4573(6) 0.6842(2) 0.7338(6) 0.0345(11) Uani 0.552(3) 1 d D U P A 1
H11D H 0.4289 0.6777 0.7731 0.041 Uiso 0.552(3) 1 calc R . P A 1
H11E H 0.4112 0.6792 0.6677 0.041 Uiso 0.552(3) 1 calc R . P A 1
C112 C 0.4809(6) 0.7219(2) 0.7452(5) 0.0345(11) Uani 0.552(3) 1 d D U P A 1
H11F H 0.4995 0.7290 0.6991 0.052 Uiso 0.552(3) 1 calc GR . P A 1
H11G H 0.5329 0.7261 0.8084 0.052 Uiso 0.552(3) 1 calc GR . P A 1
H11H H 0.4256 0.7351 0.7357 0.052 Uiso 0.552(3) 1 calc GR . P A 1
C67A C 0.0901(11) 0.6776(4) 0.7444(13) 0.025(3) Uani 0.433(10) 1 d D U P B 2
C68A C 0.0502(11) 0.6436(3) 0.7554(8) 0.051(3) Uani 0.433(10) 1 d D U P B 2
H68A H 0.0698 0.6250 0.7282 0.076 Uiso 0.433(10) 1 calc GR . P B 2
H68B H -0.0187 0.6449 0.7232 0.076 Uiso 0.433(10) 1 calc GR . P B 2
H68C H 0.0737 0.6390 0.8220 0.076 Uiso 0.433(10) 1 calc GR . P B 2
C69A C 0.1965(6) 0.6771(3) 0.8044(5) 0.040(2) Uani 0.433(10) 1 d D U P B 2
H69A H 0.2226 0.6988 0.7968 0.059 Uiso 0.433(10) 1 calc GR . P B 2
H69B H 0.2223 0.6579 0.7849 0.059 Uiso 0.433(10) 1 calc GR . P B 2
H69C H 0.2133 0.6741 0.8701 0.059 Uiso 0.433(10) 1 calc GR . P B 2
C70A C 0.0522(7) 0.7079(2) 0.7760(5) 0.042(2) Uani 0.433(10) 1 d D U P B 2
H70A H -0.0165 0.7062 0.7469 0.063 Uiso 0.433(10) 1 calc GR . P B 2
H70B H 0.0691 0.7296 0.7572 0.063 Uiso 0.433(10) 1 calc GR . P B 2
H70C H 0.0797 0.7074 0.8442 0.063 Uiso 0.433(10) 1 calc GR . P B 2
C40A C 0.4731(10) 0.8557(4) 0.6281(10) 0.029(3) Uani 0.418(11) 1 d D U P C 2
H40A H 0.5051 0.8777 0.6586 0.035 Uiso 0.418(11) 1 calc R . P C 2
C41A C 0.4679(11) 0.8322(4) 0.7010(9) 0.050(3) Uani 0.418(11) 1 d D U P C 2
H41A H 0.5317 0.8256 0.7485 0.074 Uiso 0.418(11) 1 calc GR . P C 2
H41B H 0.4317 0.8114 0.6702 0.074 Uiso 0.418(11) 1 calc GR . P C 2
H41C H 0.4370 0.8445 0.7309 0.074 Uiso 0.418(11) 1 calc GR . P C 2
C42A C 0.3719(7) 0.8633(3) 0.5525(7) 0.049(3) Uani 0.418(11) 1 d D U P C 2
H42A H 0.3403 0.8417 0.5225 0.073 Uiso 0.418(11) 1 calc GR . P C 2
H42B H 0.3726 0.8787 0.5054 0.073 Uiso 0.418(11) 1 calc GR . P C 2
H42C H 0.3378 0.8743 0.5810 0.073 Uiso 0.418(11) 1 calc GR . P C 2
C67 C 0.0757(8) 0.6783(3) 0.7320(11) 0.024(2) Uani 0.567(10) 1 d D U P B 1
C68 C 0.0953(7) 0.6402(2) 0.7615(6) 0.0372(18) Uani 0.567(10) 1 d D U P B 1
H68D H 0.1428 0.6312 0.7467 0.056 Uiso 0.567(10) 1 calc GR . P B 1
H68E H 0.0370 0.6269 0.7277 0.056 Uiso 0.567(10) 1 calc GR . P B 1
H68F H 0.1186 0.6383 0.8290 0.056 Uiso 0.567(10) 1 calc GR . P B 1
C69 C 0.1633(5) 0.6998(2) 0.7901(4) 0.046(2) Uani 0.567(10) 1 d D U P B 1
H69D H 0.1495 0.7241 0.7725 0.069 Uiso 0.567(10) 1 calc GR . P B 1
H69E H 0.2142 0.6921 0.7787 0.069 Uiso 0.567(10) 1 calc GR . P B 1
H69F H 0.1826 0.6971 0.8566 0.069 Uiso 0.567(10) 1 calc GR . P B 1
C70 C -0.0002(5) 0.69115(16) 0.7559(4) 0.0325(16) Uani 0.567(10) 1 d D U P B 1
H70D H -0.0578 0.6775 0.7212 0.049 Uiso 0.567(10) 1 calc GR . P B 1
H70E H -0.0139 0.7155 0.7385 0.049 Uiso 0.567(10) 1 calc GR . P B 1
H70F H 0.0230 0.6886 0.8232 0.049 Uiso 0.567(10) 1 calc GR . P B 1
C40 C 0.4926(8) 0.8488(3) 0.6517(7) 0.032(2) Uani 0.582(11) 1 d D U P C 1
H40 H 0.5467 0.8555 0.7136 0.039 Uiso 0.582(11) 1 calc R . P C 1
C41 C 0.4343(9) 0.8239(2) 0.6743(8) 0.050(2) Uani 0.582(11) 1 d D U P C 1
H41D H 0.4731 0.8040 0.7082 0.075 Uiso 0.582(11) 1 calc GR . P C 1
H41E H 0.3801 0.8160 0.6160 0.075 Uiso 0.582(11) 1 calc GR . P C 1
H41F H 0.4121 0.8355 0.7131 0.075 Uiso 0.582(11) 1 calc GR . P C 1
C42 C 0.4355(5) 0.88232(16) 0.6115(5) 0.0428(19) Uani 0.582(11) 1 d D U P C 1
H42D H 0.3813 0.8776 0.5500 0.064 Uiso 0.582(11) 1 calc GR . P C 1
H42E H 0.4757 0.8998 0.6052 0.064 Uiso 0.582(11) 1 calc GR . P C 1
H42F H 0.4135 0.8908 0.6539 0.064 Uiso 0.582(11) 1 calc GR . P C 1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Gd1 N1 2.410(2) . ?
Gd1 N2 2.409(2) . ?
Gd1 N3 2.412(2) . ?
Gd1 N4 2.406(2) . ?
Gd1 O301 2.409(15) . ?
Gd1 O302 2.32(2) . ?
Gd1 O303 2.314(19) . ?
Gd1 O201 2.377(14) . ?
Gd1 O202 2.311(13) . ?
Gd1 O203 2.385(14) . ?
Gd1 O101 2.323(8) . ?
Gd1 O102 2.329(13) . ?
Gd1 O103 2.360(11) . ?
Co1 C121 2.083(3) . ?
Co1 C122 2.078(3) . ?
Co1 C123 2.087(3) . ?
Co1 C124 2.088(4) . ?
Co1 C125 2.081(3) . ?
Co1 P301 2.243(4) . ?
Co1 P302 2.242(14) . ?
Co1 P303 2.086(11) . ?
Co1 P201 2.249(6) . ?
Co1 P202 2.016(7) . ?
Co1 P203 2.170(7) . ?
Co1 P101 2.133(3) . ?
Co1 P102 2.152(8) . ?
Co1 P103 2.212(6) . ?
Si1 C22 1.838(3) . ?
Si1 C23 1.886(3) . ?
Si1 C26 1.885(3) . ?
Si1 C29 1.885(3) . ?
Si2 C33 1.845(3) . ?
Si2 C34 1.884(3) . ?
Si2 C37 1.888(3) . ?
Si2 C40A 1.951(14) . ?
Si2 C40 1.888(11) . ?
N1 C1 1.383(3) . ?
N1 C4 1.367(4) . ?
N2 C6 1.368(3) . ?
N2 C9 1.375(3) . ?
N3 C11 1.376(3) . ?
N3 C14 1.368(3) . ?
N4 C16 1.364(4) . ?
N4 C19 1.383(3) . ?
C1 C2 1.449(4) . ?
C1 C20 1.405(4) . ?
C2 C3 1.347(4) . ?
C3 C4 1.444(4) . ?
C4 C5 1.417(4) . ?
C5 C6 1.416(4) . ?
C5 C21 1.438(4) . ?
C6 C7 1.439(4) . ?
C7 C8 1.353(4) . ?
C8 C9 1.454(4) . ?
C9 C10 1.409(4) . ?
C10 C11 1.412(3) . ?
C10 C43 1.496(3) . ?
C11 C12 1.445(4) . ?
C12 C13 1.352(4) . ?
C13 C14 1.442(4) . ?
C14 C15 1.415(3) . ?
C15 C16 1.419(4) . ?
C15 C32 1.440(4) . ?
C16 C17 1.435(4) . ?
C17 C18 1.358(4) . ?
C18 C19 1.443(4) . ?
C19 C20 1.402(4) . ?
C20 C57 1.504(3) . ?
C21 C22 1.203(4) . ?
C23 C24 1.536(5) . ?
C23 C25 1.541(5) . ?
C26 C27 1.531(5) . ?
C26 C28 1.525(4) . ?
C29 C30 1.538(5) . ?
C29 C31 1.532(4) . ?
C32 C33 1.210(4) . ?
C34 C35 1.528(5) . ?
C34 C36 1.519(6) . ?
C37 C38 1.517(5) . ?
C37 C39 1.529(5) . ?
C43 C44 1.397(4) . ?
C43 C48 1.393(4) . ?
C44 C45 1.393(3) . ?
C45 C46 1.401(4) . ?
C45 C49 1.539(4) . ?
C46 C47 1.393(4) . ?
C47 C48 1.399(4) . ?
C47 C53 1.540(4) . ?
C49 C50 1.526(5) . ?
C49 C51 1.529(4) . ?
C49 C52 1.541(4) . ?
C53 C54 1.544(5) . ?
C53 C55 1.512(5) . ?
C53 C56 1.537(5) . ?
C57 C58 1.382(4) . ?
C57 C62 1.397(4) . ?
C58 C59 1.403(4) . ?
C59 C60 1.394(4) . ?
C59 C63 1.531(4) . ?
C60 C61 1.401(4) . ?
C61 C62 1.400(4) . ?
C61 C67A 1.620(19) . ?
C61 C67 1.473(16) . ?
C63 C64 1.534(4) . ?
C63 C65 1.535(5) . ?
C63 C66 1.537(4) . ?
C121 C122 1.415(5) . ?
C121 C125 1.396(6) . ?
C122 C123 1.418(6) . ?
C123 C124 1.404(6) . ?
C124 C125 1.419(7) . ?
P301 O301 1.509(9) . ?
P301 O304 1.607(6) . ?
P301 O305 1.586(7) . ?
P302 O302 1.508(10) . ?
P302 O306 1.622(9) . ?
P302 O307 1.618(9) . ?
P303 O303 1.513(10) . ?
P303 O308 1.635(9) . ?
P303 O309 1.597(9) . ?
O304 C301 1.453(11) . ?
O305 C303 1.446(12) . ?
O306 C305 1.453(11) . ?
O307 C307 1.460(10) . ?
O308 C309 1.436(10) . ?
O309 C311 1.445(10) . ?
C301 C302 1.512(10) . ?
C303 C304 1.472(12) . ?
C305 C306 1.519(12) . ?
C307 C308 1.479(10) . ?
C309 C310 1.406(12) . ?
C311 C312 1.485(12) . ?
P201 O201 1.511(10) . ?
P201 O204 1.604(10) . ?
P201 O205 1.593(10) . ?
P202 O202 1.513(11) . ?
P202 O206 1.604(10) . ?
P202 O207 1.627(10) . ?
P203 O203 1.513(11) . ?
P203 O208 1.612(9) . ?
P203 O209 1.587(11) . ?
O204 C201 1.466(14) . ?
O205 C203 1.447(15) . ?
O206 C205 1.430(13) . ?
O207 C207 1.430(13) . ?
O208 C209 1.438(13) . ?
O209 C211 1.439(14) . ?
C201 C202 1.507(14) . ?
C203 C204 1.476(15) . ?
C205 C206 1.518(15) . ?
C207 C208 1.467(13) . ?
C209 C210 1.386(14) . ?
C211 C212 1.509(15) . ?
P101 O101 1.503(6) . ?
P101 O104 1.600(8) . ?
P101 O105 1.603(4) . ?
P102 O102 1.509(6) . ?
P102 O106 1.609(7) . ?
P102 O107 1.608(6) . ?
P103 O103 1.508(6) . ?
P103 O108 1.606(8) . ?
P103 O109 1.606(6) . ?
O104 C101 1.458(8) . ?
O105 C103 1.459(9) . ?
O106 C105 1.436(8) . ?
O107 C107 1.450(7) . ?
O108 C109 1.440(8) . ?
O109 C111 1.446(7) . ?
C101 C102 1.488(7) . ?
C103 C104 1.486(9) . ?
C105 C106 1.510(11) . ?
C107 C108 1.485(8) . ?
C109 C110 1.395(8) . ?
C111 C112 1.498(8) . ?
C67A C68A 1.519(16) . ?
C67A C69A 1.518(16) . ?
C67A C70A 1.531(16) . ?
C40A C41A 1.536(14) . ?
C40A C42A 1.532(16) . ?
C67 C68 1.540(12) . ?
C67 C69 1.520(13) . ?
C67 C70 1.547(13) . ?
C40 C41 1.521(12) . ?
C40 C42 1.545(10) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Gd1 N3 117.27(7) . . ?
N2 Gd1 N1 74.96(7) . . ?
N2 Gd1 N3 74.30(7) . . ?
N4 Gd1 N1 74.68(8) . . ?
N4 Gd1 N2 119.27(7) . . ?
N4 Gd1 N3 75.05(7) . . ?
N4 Gd1 O301 104.7(4) . . ?
O301 Gd1 N1 77.7(4) . . ?
O301 Gd1 N2 118.2(4) . . ?
O301 Gd1 N3 163.7(4) . . ?
O302 Gd1 N1 126.8(8) . . ?
O302 Gd1 N2 74.5(6) . . ?
O302 Gd1 N3 94.6(7) . . ?
O302 Gd1 N4 158.3(8) . . ?
O302 Gd1 O301 79.9(7) . . ?
O303 Gd1 N1 140.4(7) . . ?
O303 Gd1 N2 144.5(7) . . ?
O303 Gd1 N3 86.4(5) . . ?
O303 Gd1 N4 82.5(7) . . ?
O303 Gd1 O301 77.4(6) . . ?
O303 Gd1 O302 77.8(8) . . ?
O201 Gd1 N1 87.5(4) . . ?
O201 Gd1 N2 146.3(6) . . ?
O201 Gd1 N3 139.2(6) . . ?
O201 Gd1 N4 81.9(5) . . ?
O201 Gd1 O203 76.8(6) . . ?
O202 Gd1 N1 101.6(5) . . ?
O202 Gd1 N2 80.3(3) . . ?
O202 Gd1 N3 124.8(5) . . ?
O202 Gd1 N4 157.0(4) . . ?
O202 Gd1 O201 75.2(6) . . ?
O202 Gd1 O203 79.1(6) . . ?
O203 Gd1 N1 163.6(5) . . ?
O203 Gd1 N2 121.0(5) . . ?
O203 Gd1 N3 73.8(4) . . ?
O203 Gd1 N4 98.1(5) . . ?
O101 Gd1 N1 79.5(2) . . ?
O101 Gd1 N2 127.1(2) . . ?
O101 Gd1 N3 157.3(2) . . ?
O101 Gd1 N4 96.8(2) . . ?
O101 Gd1 O102 80.5(4) . . ?
O101 Gd1 O103 78.0(3) . . ?
O102 Gd1 N1 123.9(4) . . ?
O102 Gd1 N2 76.8(3) . . ?
O102 Gd1 N3 99.8(4) . . ?
O102 Gd1 N4 159.8(4) . . ?
O102 Gd1 O103 77.0(4) . . ?
O103 Gd1 N1 145.9(4) . . ?
O103 Gd1 N2 139.1(4) . . ?
O103 Gd1 N3 80.0(3) . . ?
O103 Gd1 N4 82.8(4) . . ?
C121 Co1 C123 66.53(15) . . ?
C121 Co1 C124 66.05(17) . . ?
C121 Co1 P301 121.87(15) . . ?
C121 Co1 P302 90.0(3) . . ?
C121 Co1 P303 143.2(3) . . ?
C121 Co1 P201 155.4(2) . . ?
C121 Co1 P203 113.7(2) . . ?
C121 Co1 P101 133.20(13) . . ?
C121 Co1 P102 88.7(2) . . ?
C121 Co1 P103 137.53(19) . . ?
C122 Co1 C121 39.76(13) . . ?
C122 Co1 C123 39.81(15) . . ?
C122 Co1 C124 66.29(16) . . ?
C122 Co1 C125 66.54(15) . . ?
C122 Co1 P301 157.56(14) . . ?
C122 Co1 P302 103.4(3) . . ?
C122 Co1 P303 104.1(3) . . ?
C122 Co1 P201 137.65(19) . . ?
C122 Co1 P203 87.23(19) . . ?
C122 Co1 P101 160.42(13) . . ?
C122 Co1 P102 102.68(19) . . ?
C122 Co1 P103 99.86(19) . . ?
C123 Co1 C124 39.30(17) . . ?
C123 Co1 P301 130.75(16) . . ?
C123 Co1 P302 142.0(3) . . ?
C123 Co1 P201 100.06(18) . . ?
C123 Co1 P203 99.6(2) . . ?
C123 Co1 P101 123.81(14) . . ?
C123 Co1 P102 141.6(2) . . ?
C123 Co1 P103 89.9(2) . . ?
C124 Co1 P301 95.72(16) . . ?
C124 Co1 P302 153.2(3) . . ?
C124 Co1 P201 90.35(19) . . ?
C124 Co1 P203 137.7(2) . . ?
C124 Co1 P101 94.14(13) . . ?
C124 Co1 P102 151.8(2) . . ?
C124 Co1 P103 117.1(2) . . ?
C125 Co1 C121 39.17(17) . . ?
C125 Co1 C123 66.65(16) . . ?
C125 Co1 C124 39.80(18) . . ?
C125 Co1 P301 91.09(15) . . ?
C125 Co1 P302 113.6(3) . . ?
C125 Co1 P303 151.6(3) . . ?
C125 Co1 P201 117.3(2) . . ?
C125 Co1 P203 152.1(2) . . ?
C125 Co1 P101 98.52(13) . . ?
C125 Co1 P102 112.2(2) . . ?
C125 Co1 P103 155.8(2) . . ?
P302 Co1 P301 86.7(3) . . ?
P303 Co1 C123 88.8(3) . . ?
P303 Co1 C124 111.8(3) . . ?
P303 Co1 P301 94.8(3) . . ?
P303 Co1 P302 94.5(4) . . ?
P202 Co1 C121 94.9(2) . . ?
P202 Co1 C122 128.2(2) . . ?
P202 Co1 C123 159.79(19) . . ?
P202 Co1 C124 127.1(2) . . ?
P202 Co1 C125 94.1(2) . . ?
P202 Co1 P201 94.2(2) . . ?
P202 Co1 P203 95.1(2) . . ?
P203 Co1 P201 88.2(2) . . ?
P101 Co1 P102 94.61(17) . . ?
P101 Co1 P103 89.22(17) . . ?
P102 Co1 P103 89.8(2) . . ?
C22 Si1 C23 109.51(14) . . ?
C22 Si1 C26 104.03(13) . . ?
C22 Si1 C29 108.09(14) . . ?
C26 Si1 C23 112.08(14) . . ?
C26 Si1 C29 110.41(14) . . ?
C29 Si1 C23 112.33(15) . . ?
C33 Si2 C34 105.68(14) . . ?
C33 Si2 C37 107.80(14) . . ?
C33 Si2 C40A 108.0(5) . . ?
C33 Si2 C40 107.7(4) . . ?
C34 Si2 C37 109.18(17) . . ?
C34 Si2 C40A 118.3(4) . . ?
C34 Si2 C40 106.5(3) . . ?
C37 Si2 C40A 107.5(4) . . ?
C40 Si2 C37 119.2(3) . . ?
C1 N1 Gd1 123.66(17) . . ?
C4 N1 Gd1 123.87(17) . . ?
C4 N1 C1 106.1(2) . . ?
C6 N2 Gd1 123.43(17) . . ?
C6 N2 C9 106.5(2) . . ?
C9 N2 Gd1 123.10(17) . . ?
C11 N3 Gd1 122.41(16) . . ?
C14 N3 Gd1 122.43(16) . . ?
C14 N3 C11 106.5(2) . . ?
C16 N4 Gd1 125.66(17) . . ?
C16 N4 C19 106.0(2) . . ?
C19 N4 Gd1 124.82(17) . . ?
N1 C1 C2 109.4(2) . . ?
N1 C1 C20 125.0(3) . . ?
C20 C1 C2 125.4(2) . . ?
C3 C2 C1 107.2(2) . . ?
C2 C3 C4 107.0(3) . . ?
N1 C4 C3 110.3(2) . . ?
N1 C4 C5 125.0(2) . . ?
C5 C4 C3 124.6(3) . . ?
C4 C5 C21 115.6(2) . . ?
C6 C5 C4 126.8(2) . . ?
C6 C5 C21 117.4(2) . . ?
N2 C6 C5 124.9(2) . . ?
N2 C6 C7 110.2(2) . . ?
C5 C6 C7 124.8(2) . . ?
C8 C7 C6 107.0(2) . . ?
C7 C8 C9 106.9(2) . . ?
N2 C9 C8 109.3(2) . . ?
N2 C9 C10 125.3(2) . . ?
C10 C9 C8 125.3(2) . . ?
C9 C10 C11 126.0(2) . . ?
C9 C10 C43 116.6(2) . . ?
C11 C10 C43 117.3(2) . . ?
N3 C11 C10 125.3(2) . . ?
N3 C11 C12 109.4(2) . . ?
C10 C11 C12 125.3(2) . . ?
C13 C12 C11 107.2(2) . . ?
C12 C13 C14 106.9(3) . . ?
N3 C14 C13 110.0(2) . . ?
N3 C14 C15 125.3(2) . . ?
C15 C14 C13 124.6(2) . . ?
C14 C15 C16 126.6(3) . . ?
C14 C15 C32 117.0(2) . . ?
C16 C15 C32 116.4(2) . . ?
N4 C16 C15 124.7(2) . . ?
N4 C16 C17 110.7(2) . . ?
C15 C16 C17 124.5(3) . . ?
C18 C17 C16 106.7(3) . . ?
C17 C18 C19 107.0(3) . . ?
N4 C19 C18 109.5(2) . . ?
N4 C19 C20 125.2(2) . . ?
C20 C19 C18 125.1(2) . . ?
C1 C20 C57 117.3(2) . . ?
C19 C20 C1 126.7(2) . . ?
C19 C20 C57 115.9(2) . . ?
C22 C21 C5 176.1(3) . . ?
C21 C22 Si1 170.6(2) . . ?
C24 C23 Si1 112.3(2) . . ?
C24 C23 C25 110.2(3) . . ?
C25 C23 Si1 113.6(2) . . ?
C27 C26 Si1 111.6(2) . . ?
C28 C26 Si1 114.4(2) . . ?
C28 C26 C27 110.3(3) . . ?
C30 C29 Si1 111.4(2) . . ?
C31 C29 Si1 112.2(2) . . ?
C31 C29 C30 111.0(3) . . ?
C33 C32 C15 177.6(3) . . ?
C32 C33 Si2 171.5(3) . . ?
C35 C34 Si2 111.5(3) . . ?
C36 C34 Si2 112.6(3) . . ?
C36 C34 C35 110.1(3) . . ?
C38 C37 Si2 115.9(3) . . ?
C38 C37 C39 110.8(3) . . ?
C39 C37 Si2 112.3(2) . . ?
C44 C43 C10 120.8(2) . . ?
C48 C43 C10 120.1(2) . . ?
C48 C43 C44 119.1(2) . . ?
C45 C44 C43 121.3(2) . . ?
C44 C45 C46 117.8(2) . . ?
C44 C45 C49 122.2(2) . . ?
C46 C45 C49 119.9(2) . . ?
C47 C46 C45 122.5(2) . . ?
C46 C47 C48 117.8(2) . . ?
C46 C47 C53 123.2(3) . . ?
C48 C47 C53 118.9(3) . . ?
C43 C48 C47 121.3(2) . . ?
C45 C49 C52 109.9(2) . . ?
C50 C49 C45 112.1(2) . . ?
C50 C49 C51 108.3(3) . . ?
C50 C49 C52 108.3(3) . . ?
C51 C49 C45 108.7(3) . . ?
C51 C49 C52 109.5(3) . . ?
C47 C53 C54 108.1(3) . . ?
C55 C53 C47 113.1(3) . . ?
C55 C53 C54 109.3(3) . . ?
C55 C53 C56 108.7(3) . . ?
C56 C53 C47 109.9(2) . . ?
C56 C53 C54 107.7(3) . . ?
C58 C57 C20 120.4(2) . . ?
C58 C57 C62 119.8(2) . . ?
C62 C57 C20 119.8(3) . . ?
C57 C58 C59 121.3(3) . . ?
C58 C59 C63 119.6(3) . . ?
C60 C59 C58 117.8(3) . . ?
C60 C59 C63 122.6(2) . . ?
C59 C60 C61 122.3(2) . . ?
C60 C61 C67A 125.1(6) . . ?
C60 C61 C67 119.0(5) . . ?
C62 C61 C60 118.1(3) . . ?
C62 C61 C67A 116.8(6) . . ?
C62 C61 C67 122.9(5) . . ?
C57 C62 C61 120.7(3) . . ?
C59 C63 C64 109.1(2) . . ?
C59 C63 C65 110.4(2) . . ?
C59 C63 C66 112.3(2) . . ?
C64 C63 C65 108.0(3) . . ?
C64 C63 C66 109.4(2) . . ?
C65 C63 C66 107.5(3) . . ?
C122 C121 Co1 69.93(18) . . ?
C125 C121 Co1 70.35(19) . . ?
C125 C121 C122 108.5(4) . . ?
C121 C122 Co1 70.31(18) . . ?
C121 C122 C123 107.7(4) . . ?
C123 C122 Co1 70.44(19) . . ?
C122 C123 Co1 69.75(19) . . ?
C124 C123 Co1 70.4(2) . . ?
C124 C123 C122 107.6(4) . . ?
C123 C124 Co1 70.3(2) . . ?
C123 C124 C125 108.4(4) . . ?
C125 C124 Co1 69.8(2) . . ?
C121 C125 Co1 70.5(2) . . ?
C121 C125 C124 107.7(4) . . ?
C124 C125 Co1 70.4(2) . . ?
O301 P301 Co1 114.5(8) . . ?
O301 P301 O304 110.5(8) . . ?
O301 P301 O305 108.0(7) . . ?
O304 P301 Co1 115.0(3) . . ?
O305 P301 Co1 110.2(4) . . ?
O305 P301 O304 97.0(5) . . ?
O302 P302 Co1 121.8(11) . . ?
O302 P302 O306 109.0(14) . . ?
O302 P302 O307 109.5(14) . . ?
O306 P302 Co1 107.8(9) . . ?
O307 P302 Co1 99.7(7) . . ?
O307 P302 O306 108.2(11) . . ?
O303 P303 Co1 118.9(12) . . ?
O303 P303 O308 108.1(11) . . ?
O303 P303 O309 106.1(13) . . ?
O308 P303 Co1 104.7(7) . . ?
O309 P303 Co1 111.7(7) . . ?
O309 P303 O308 106.7(8) . . ?
P301 O301 Gd1 135.8(12) . . ?
P302 O302 Gd1 133.7(16) . . ?
P303 O303 Gd1 137.1(14) . . ?
C301 O304 P301 121.4(6) . . ?
C303 O305 P301 126.1(7) . . ?
C305 O306 P302 116.0(12) . . ?
C307 O307 P302 114.8(11) . . ?
C309 O308 P303 130.3(10) . . ?
C311 O309 P303 122.5(10) . . ?
O304 C301 C302 105.3(9) . . ?
O305 C303 C304 113.4(9) . . ?
O306 C305 C306 110.4(12) . . ?
O307 C307 C308 106.6(10) . . ?
C310 C309 O308 118.4(11) . . ?
O309 C311 C312 114.8(10) . . ?
O201 P201 Co1 117.1(7) . . ?
O201 P201 O204 108.6(12) . . ?
O201 P201 O205 109.1(14) . . ?
O204 P201 Co1 112.9(9) . . ?
O205 P201 Co1 102.7(14) . . ?
O205 P201 O204 105.7(16) . . ?
O202 P202 Co1 121.7(7) . . ?
O202 P202 O206 106.8(11) . . ?
O202 P202 O207 106.3(14) . . ?
O206 P202 Co1 109.7(8) . . ?
O206 P202 O207 105.2(14) . . ?
O207 P202 Co1 106.0(9) . . ?
O203 P203 Co1 117.6(7) . . ?
O203 P203 O208 109.8(11) . . ?
O203 P203 O209 109.5(15) . . ?
O208 P203 Co1 102.9(8) . . ?
O209 P203 Co1 111.8(14) . . ?
O209 P203 O208 104.3(16) . . ?
P201 O201 Gd1 133.6(9) . . ?
P202 O202 Gd1 138.0(9) . . ?
P203 O203 Gd1 136.4(10) . . ?
C201 O204 P201 130.8(18) . . ?
C203 O205 P201 133(2) . . ?
C205 O206 P202 136.0(16) . . ?
C207 O207 P202 107.2(14) . . ?
C209 O208 P203 144.7(16) . . ?
C211 O209 P203 131(2) . . ?
O204 C201 C202 111.2(19) . . ?
O205 C203 C204 110.0(18) . . ?
O206 C205 C206 88.9(15) . . ?
O207 C207 C208 116(2) . . ?
C210 C209 O208 114.8(19) . . ?
O209 C211 C212 100.6(18) . . ?
O101 P101 Co1 122.2(4) . . ?
O101 P101 O104 108.9(5) . . ?
O101 P101 O105 106.8(4) . . ?
O104 P101 Co1 104.6(3) . . ?
O104 P101 O105 99.9(4) . . ?
O105 P101 Co1 112.2(2) . . ?
O102 P102 Co1 118.2(7) . . ?
O102 P102 O106 107.8(9) . . ?
O102 P102 O107 107.4(8) . . ?
O106 P102 Co1 109.9(6) . . ?
O107 P102 Co1 116.4(4) . . ?
O107 P102 O106 94.3(7) . . ?
O103 P103 Co1 121.0(7) . . ?
O103 P103 O108 109.0(7) . . ?
O103 P103 O109 109.9(7) . . ?
O108 P103 Co1 106.6(5) . . ?
O109 P103 Co1 107.9(3) . . ?
O109 P103 O108 100.4(6) . . ?
P101 O101 Gd1 133.9(6) . . ?
P102 O102 Gd1 137.8(9) . . ?
P103 O103 Gd1 132.8(8) . . ?
C101 O104 P101 122.7(6) . . ?
C103 O105 P101 119.2(4) . . ?
C105 O106 P102 123.0(9) . . ?
C107 O107 P102 123.7(6) . . ?
C109 O108 P103 119.3(8) . . ?
C111 O109 P103 122.0(5) . . ?
O104 C101 C102 110.7(6) . . ?
O105 C103 C104 110.8(5) . . ?
O106 C105 C106 114.0(10) . . ?
O107 C107 C108 108.9(6) . . ?
C110 C109 O108 113.6(7) . . ?
O109 C111 C112 108.7(6) . . ?
C68A C67A C61 105.0(10) . . ?
C68A C67A C70A 111.2(12) . . ?
C69A C67A C61 115.2(10) . . ?
C69A C67A C68A 109.2(13) . . ?
C69A C67A C70A 108.2(11) . . ?
C70A C67A C61 108.1(11) . . ?
C41A C40A Si2 107.6(9) . . ?
C42A C40A Si2 113.8(9) . . ?
C42A C40A C41A 107.4(11) . . ?
C61 C67 C68 109.1(8) . . ?
C61 C67 C69 108.2(9) . . ?
C61 C67 C70 115.6(8) . . ?
C68 C67 C70 107.4(9) . . ?
C69 C67 C68 110.0(9) . . ?
C69 C67 C70 106.5(9) . . ?
C41 C40 Si2 117.4(8) . . ?
C41 C40 C42 108.8(9) . . ?
C42 C40 Si2 113.5(6) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Gd1 N1 C1 C2 -151.91(19) . . . . ?
Gd1 N1 C1 C20 32.3(4) . . . . ?
Gd1 N1 C4 C3 151.49(18) . . . . ?
Gd1 N1 C4 C5 -31.1(4) . . . . ?
Gd1 N2 C6 C5 33.7(4) . . . . ?
Gd1 N2 C6 C7 -150.04(19) . . . . ?
Gd1 N2 C9 C8 150.61(19) . . . . ?
Gd1 N2 C9 C10 -32.8(4) . . . . ?
Gd1 N3 C11 C10 35.0(3) . . . . ?
Gd1 N3 C11 C12 -146.22(18) . . . . ?
Gd1 N3 C14 C13 146.43(19) . . . . ?
Gd1 N3 C14 C15 -36.0(3) . . . . ?
Gd1 N4 C16 C15 24.1(4) . . . . ?
Gd1 N4 C16 C17 -158.26(18) . . . . ?
Gd1 N4 C19 C18 158.52(18) . . . . ?
Gd1 N4 C19 C20 -26.4(4) . . . . ?
Co1 C121 C122 C123 60.8(2) . . . . ?
Co1 C121 C125 C124 -60.8(2) . . . . ?
Co1 C122 C123 C124 60.5(2) . . . . ?
Co1 C123 C124 C125 59.7(2) . . . . ?
Co1 C124 C125 C121 60.9(2) . . . . ?
Co1 P301 O301 Gd1 31.8(13) . . . . ?
Co1 P301 O304 C301 85.2(8) . . . . ?
Co1 P301 O305 C303 -167.5(11) . . . . ?
Co1 P302 O302 Gd1 6(3) . . . . ?
Co1 P302 O306 C305 177.7(12) . . . . ?
Co1 P302 O307 C307 -121.2(14) . . . . ?
Co1 P303 O303 Gd1 28(3) . . . . ?
Co1 P303 O308 C309 172.0(12) . . . . ?
Co1 P303 O309 C311 -134.9(10) . . . . ?
Co1 P201 O201 Gd1 -32(2) . . . . ?
Co1 P201 O204 C201 135(2) . . . . ?
Co1 P201 O205 C203 -135(4) . . . . ?
Co1 P202 O202 Gd1 -10(2) . . . . ?
Co1 P202 O206 C205 110(2) . . . . ?
Co1 P202 O207 C207 176(2) . . . . ?
Co1 P203 O203 Gd1 -21(2) . . . . ?
Co1 P203 O208 C209 113(3) . . . . ?
Co1 P203 O209 C211 -140(4) . . . . ?
Co1 P101 O101 Gd1 22.0(8) . . . . ?
Co1 P101 O104 C101 175.4(7) . . . . ?
Co1 P101 O105 C103 -103.5(5) . . . . ?
Co1 P102 O102 Gd1 20.1(18) . . . . ?
Co1 P102 O106 C105 179.8(11) . . . . ?
Co1 P102 O107 C107 -94.2(10) . . . . ?
Co1 P103 O103 Gd1 20.5(15) . . . . ?
Co1 P103 O108 C109 172.8(8) . . . . ?
Co1 P103 O109 C111 -118.8(6) . . . . ?
N1 C1 C2 C3 -0.1(3) . . . . ?
N1 C1 C20 C19 4.9(5) . . . . ?
N1 C1 C20 C57 179.6(2) . . . . ?
N1 C4 C5 C6 -2.5(5) . . . . ?
N1 C4 C5 C21 -178.1(3) . . . . ?
N2 C6 C7 C8 -1.4(3) . . . . ?
N2 C9 C10 C11 -2.9(4) . . . . ?
N2 C9 C10 C43 -180.0(2) . . . . ?
N3 C11 C12 C13 -1.5(3) . . . . ?
N3 C14 C15 C16 -1.4(4) . . . . ?
N3 C14 C15 C32 -179.0(2) . . . . ?
N4 C16 C17 C18 -0.8(3) . . . . ?
N4 C19 C20 C1 -8.3(4) . . . . ?
N4 C19 C20 C57 176.9(2) . . . . ?
C1 N1 C4 C3 -1.1(3) . . . . ?
C1 N1 C4 C5 176.3(3) . . . . ?
C1 C2 C3 C4 -0.5(3) . . . . ?
C1 C20 C57 C58 -75.0(4) . . . . ?
C1 C20 C57 C62 107.5(3) . . . . ?
C2 C1 C20 C19 -170.3(3) . . . . ?
C2 C1 C20 C57 4.5(4) . . . . ?
C2 C3 C4 N1 1.1(3) . . . . ?
C2 C3 C4 C5 -176.4(3) . . . . ?
C3 C4 C5 C6 174.6(3) . . . . ?
C3 C4 C5 C21 -1.0(4) . . . . ?
C4 N1 C1 C2 0.8(3) . . . . ?
C4 N1 C1 C20 -175.1(3) . . . . ?
C4 C5 C6 N2 1.0(5) . . . . ?
C4 C5 C6 C7 -174.7(3) . . . . ?
C5 C6 C7 C8 174.9(3) . . . . ?
C6 N2 C9 C8 -1.0(3) . . . . ?
C6 N2 C9 C10 175.6(3) . . . . ?
C6 C7 C8 C9 0.7(3) . . . . ?
C7 C8 C9 N2 0.2(3) . . . . ?
C7 C8 C9 C10 -176.5(3) . . . . ?
C8 C9 C10 C11 173.1(3) . . . . ?
C8 C9 C10 C43 -3.9(4) . . . . ?
C9 N2 C6 C5 -174.8(3) . . . . ?
C9 N2 C6 C7 1.4(3) . . . . ?
C9 C10 C11 N3 1.6(4) . . . . ?
C9 C10 C11 C12 -177.0(3) . . . . ?
C9 C10 C43 C44 -64.8(3) . . . . ?
C9 C10 C43 C48 114.7(3) . . . . ?
C10 C11 C12 C13 177.3(3) . . . . ?
C10 C43 C44 C45 179.3(2) . . . . ?
C10 C43 C48 C47 179.7(2) . . . . ?
C11 N3 C14 C13 -1.8(3) . . . . ?
C11 N3 C14 C15 175.8(2) . . . . ?
C11 C10 C43 C44 117.9(3) . . . . ?
C11 C10 C43 C48 -62.6(3) . . . . ?
C11 C12 C13 C14 0.4(3) . . . . ?
C12 C13 C14 N3 0.9(3) . . . . ?
C12 C13 C14 C15 -176.7(3) . . . . ?
C13 C14 C15 C16 175.8(3) . . . . ?
C13 C14 C15 C32 -1.8(4) . . . . ?
C14 N3 C11 C10 -176.8(2) . . . . ?
C14 N3 C11 C12 2.0(3) . . . . ?
C14 C15 C16 N4 8.5(4) . . . . ?
C14 C15 C16 C17 -168.9(3) . . . . ?
C15 C16 C17 C18 176.9(3) . . . . ?
C16 N4 C19 C18 -1.2(3) . . . . ?
C16 N4 C19 C20 173.9(2) . . . . ?
C16 C17 C18 C19 0.0(3) . . . . ?
C17 C18 C19 N4 0.7(3) . . . . ?
C17 C18 C19 C20 -174.4(3) . . . . ?
C18 C19 C20 C1 166.1(3) . . . . ?
C18 C19 C20 C57 -8.7(4) . . . . ?
C19 N4 C16 C15 -176.4(3) . . . . ?
C19 N4 C16 C17 1.3(3) . . . . ?
C19 C20 C57 C58 100.3(3) . . . . ?
C19 C20 C57 C62 -77.2(3) . . . . ?
C20 C1 C2 C3 175.7(3) . . . . ?
C20 C57 C58 C59 -177.1(3) . . . . ?
C20 C57 C62 C61 178.4(3) . . . . ?
C21 C5 C6 N2 176.6(3) . . . . ?
C21 C5 C6 C7 0.9(4) . . . . ?
C22 Si1 C23 C24 -162.2(2) . . . . ?
C22 Si1 C23 C25 -36.2(3) . . . . ?
C22 Si1 C26 C27 -58.9(3) . . . . ?
C22 Si1 C26 C28 175.0(3) . . . . ?
C22 Si1 C29 C30 -66.7(3) . . . . ?
C22 Si1 C29 C31 58.5(3) . . . . ?
C23 Si1 C26 C27 59.3(3) . . . . ?
C23 Si1 C26 C28 -66.8(3) . . . . ?
C23 Si1 C29 C30 172.4(3) . . . . ?
C23 Si1 C29 C31 -62.5(3) . . . . ?
C26 Si1 C23 C24 82.9(3) . . . . ?
C26 Si1 C23 C25 -151.1(3) . . . . ?
C26 Si1 C29 C30 46.5(3) . . . . ?
C26 Si1 C29 C31 171.6(2) . . . . ?
C29 Si1 C23 C24 -42.1(3) . . . . ?
C29 Si1 C23 C25 83.9(3) . . . . ?
C29 Si1 C26 C27 -174.7(2) . . . . ?
C29 Si1 C26 C28 59.2(3) . . . . ?
C32 C15 C16 N4 -173.9(2) . . . . ?
C32 C15 C16 C17 8.7(4) . . . . ?
C33 Si2 C34 C35 -55.9(3) . . . . ?
C33 Si2 C34 C36 68.5(3) . . . . ?
C33 Si2 C37 C38 61.9(3) . . . . ?
C33 Si2 C37 C39 -169.5(3) . . . . ?
C33 Si2 C40 C41 18.9(9) . . . . ?
C33 Si2 C40 C42 -109.6(7) . . . . ?
C34 Si2 C37 C38 176.2(2) . . . . ?
C34 Si2 C37 C39 -55.1(3) . . . . ?
C34 Si2 C40 C41 -94.0(9) . . . . ?
C34 Si2 C40 C42 137.4(6) . . . . ?
C37 Si2 C34 C35 -171.6(2) . . . . ?
C37 Si2 C34 C36 -47.2(3) . . . . ?
C37 Si2 C40 C41 142.0(8) . . . . ?
C37 Si2 C40 C42 13.5(9) . . . . ?
C43 C10 C11 N3 178.6(2) . . . . ?
C43 C10 C11 C12 0.0(4) . . . . ?
C43 C44 C45 C46 0.4(4) . . . . ?
C43 C44 C45 C49 -177.3(2) . . . . ?
C44 C43 C48 C47 -0.7(4) . . . . ?
C44 C45 C46 C47 0.5(4) . . . . ?
C44 C45 C49 C50 -7.2(4) . . . . ?
C44 C45 C49 C51 112.5(3) . . . . ?
C44 C45 C49 C52 -127.7(3) . . . . ?
C45 C46 C47 C48 -1.4(4) . . . . ?
C45 C46 C47 C53 -180.0(3) . . . . ?
C46 C45 C49 C50 175.2(3) . . . . ?
C46 C45 C49 C51 -65.2(3) . . . . ?
C46 C45 C49 C52 54.7(4) . . . . ?
C46 C47 C48 C43 1.5(4) . . . . ?
C46 C47 C53 C54 115.4(3) . . . . ?
C46 C47 C53 C55 -5.7(5) . . . . ?
C46 C47 C53 C56 -127.3(3) . . . . ?
C48 C43 C44 C45 -0.2(4) . . . . ?
C48 C47 C53 C54 -63.1(4) . . . . ?
C48 C47 C53 C55 175.7(3) . . . . ?
C48 C47 C53 C56 54.1(4) . . . . ?
C49 C45 C46 C47 178.2(3) . . . . ?
C53 C47 C48 C43 -179.8(3) . . . . ?
C57 C58 C59 C60 -1.4(4) . . . . ?
C57 C58 C59 C63 -179.5(3) . . . . ?
C58 C57 C62 C61 0.9(4) . . . . ?
C58 C59 C60 C61 1.2(4) . . . . ?
C58 C59 C63 C64 74.1(3) . . . . ?
C58 C59 C63 C65 -44.5(4) . . . . ?
C58 C59 C63 C66 -164.5(3) . . . . ?
C59 C60 C61 C62 0.1(4) . . . . ?
C59 C60 C61 C67A -179.9(7) . . . . ?
C59 C60 C61 C67 -178.2(6) . . . . ?
C60 C59 C63 C64 -103.9(3) . . . . ?
C60 C59 C63 C65 137.5(3) . . . . ?
C60 C59 C63 C66 17.6(4) . . . . ?
C60 C61 C62 C57 -1.1(4) . . . . ?
C60 C61 C67A C68A 79.3(12) . . . . ?
C60 C61 C67A C69A -160.5(8) . . . . ?
C60 C61 C67A C70A -39.5(12) . . . . ?
C60 C61 C67 C68 115.3(7) . . . . ?
C60 C61 C67 C69 -125.1(7) . . . . ?
C60 C61 C67 C70 -5.8(10) . . . . ?
C62 C57 C58 C59 0.4(4) . . . . ?
C62 C61 C67A C68A -100.6(11) . . . . ?
C62 C61 C67A C69A 19.5(13) . . . . ?
C62 C61 C67A C70A 140.6(8) . . . . ?
C62 C61 C67 C68 -63.0(10) . . . . ?
C62 C61 C67 C69 56.7(9) . . . . ?
C62 C61 C67 C70 175.9(5) . . . . ?
C63 C59 C60 C61 179.2(3) . . . . ?
C121 C122 C123 Co1 -60.8(2) . . . . ?
C121 C122 C123 C124 -0.3(3) . . . . ?
C122 C121 C125 Co1 59.7(2) . . . . ?
C122 C121 C125 C124 -1.1(4) . . . . ?
C122 C123 C124 Co1 -60.1(2) . . . . ?
C122 C123 C124 C125 -0.4(4) . . . . ?
C123 C124 C125 Co1 -60.0(2) . . . . ?
C123 C124 C125 C121 0.9(4) . . . . ?
C125 C121 C122 Co1 -60.0(2) . . . . ?
C125 C121 C122 C123 0.9(4) . . . . ?
P301 O304 C301 C302 -171.3(7) . . . . ?
P301 O305 C303 C304 -178.1(10) . . . . ?
P302 O306 C305 C306 -132.3(16) . . . . ?
P302 O307 C307 C308 -175.6(14) . . . . ?
P303 O308 C309 C310 -169.8(11) . . . . ?
P303 O309 C311 C312 -87.9(12) . . . . ?
O301 P301 O304 C301 -46.3(11) . . . . ?
O301 P301 O305 C303 -41.7(15) . . . . ?
O302 P302 O306 C305 44(2) . . . . ?
O302 P302 O307 C307 7.7(19) . . . . ?
O303 P303 O308 C309 44.3(19) . . . . ?
O303 P303 O309 C311 -3.9(15) . . . . ?
O304 P301 O301 Gd1 163.6(9) . . . . ?
O304 P301 O305 C303 72.6(12) . . . . ?
O305 P301 O301 Gd1 -91.4(12) . . . . ?
O305 P301 O304 C301 -158.6(8) . . . . ?
O306 P302 O302 Gd1 133(2) . . . . ?
O306 P302 O307 C307 126.3(16) . . . . ?
O307 P302 O302 Gd1 -109(2) . . . . ?
O307 P302 O306 C305 -75.3(17) . . . . ?
O308 P303 O303 Gd1 147(2) . . . . ?
O308 P303 O309 C311 111.3(11) . . . . ?
O309 P303 O303 Gd1 -99(2) . . . . ?
O309 P303 O308 C309 -69.5(15) . . . . ?
P201 O204 C201 C202 -149(2) . . . . ?
P201 O205 C203 C204 175(3) . . . . ?
P202 O206 C205 C206 144(2) . . . . ?
P202 O207 C207 C208 149(2) . . . . ?
P203 O208 C209 C210 124(3) . . . . ?
P203 O209 C211 C212 -158(3) . . . . ?
O201 P201 O204 C201 3(3) . . . . ?
O201 P201 O205 C203 -10(5) . . . . ?
O202 P202 O206 C205 -24(3) . . . . ?
O202 P202 O207 C207 -53(3) . . . . ?
O203 P203 O208 C209 -13(4) . . . . ?
O203 P203 O209 C211 -8(5) . . . . ?
O204 P201 O201 Gd1 97.6(19) . . . . ?
O204 P201 O205 C203 107(4) . . . . ?
O205 P201 O201 Gd1 -148(2) . . . . ?
O205 P201 O204 C201 -114(3) . . . . ?
O206 P202 O202 Gd1 116.5(17) . . . . ?
O206 P202 O207 C207 60(3) . . . . ?
O207 P202 O202 Gd1 -131.6(18) . . . . ?
O207 P202 O206 C205 -137(3) . . . . ?
O208 P203 O203 Gd1 96.0(19) . . . . ?
O208 P203 O209 C211 109(4) . . . . ?
O209 P203 O203 Gd1 -150(2) . . . . ?
O209 P203 O208 C209 -130(3) . . . . ?
P101 O104 C101 C102 125.7(8) . . . . ?
P101 O105 C103 C104 167.0(5) . . . . ?
P102 O106 C105 C106 -98.4(14) . . . . ?
P102 O107 C107 C108 155.3(7) . . . . ?
P103 O108 C109 C110 -176.6(8) . . . . ?
P103 O109 C111 C112 -106.6(6) . . . . ?
O101 P101 O104 C101 43.3(9) . . . . ?
O101 P101 O105 C103 32.9(7) . . . . ?
O102 P102 O106 C105 49.7(16) . . . . ?
O102 P102 O107 C107 40.9(12) . . . . ?
O103 P103 O108 C109 40.6(13) . . . . ?
O103 P103 O109 C111 15.0(9) . . . . ?
O104 P101 O101 Gd1 143.9(6) . . . . ?
O104 P101 O105 C103 146.2(5) . . . . ?
O105 P101 O101 Gd1 -109.1(6) . . . . ?
O105 P101 O104 C101 -68.4(8) . . . . ?
O106 P102 O102 Gd1 145.4(14) . . . . ?
O106 P102 O107 C107 151.1(10) . . . . ?
O107 P102 O102 Gd1 -114.0(14) . . . . ?
O107 P102 O106 C105 -60.1(14) . . . . ?
O108 P103 O103 Gd1 144.6(11) . . . . ?
O108 P103 O109 C111 129.8(7) . . . . ?
O109 P103 O103 Gd1 -106.2(12) . . . . ?
O109 P103 O108 C109 -74.8(10) . . . . ?
C67A C61 C62 C57 178.8(7) . . . . ?
C40A Si2 C34 C35 65.1(5) . . . . ?
C40A Si2 C34 C36 -170.5(5) . . . . ?
C40A Si2 C37 C38 -54.3(6) . . . . ?
C40A Si2 C37 C39 74.4(6) . . . . ?
C67 C61 C62 C57 177.1(6) . . . . ?
C40 Si2 C34 C35 58.4(4) . . . . ?
C40 Si2 C34 C36 -177.2(5) . . . . ?
C40 Si2 C37 C38 -61.1(5) . . . . ?
C40 Si2 C37 C39 67.5(5) . . . . ?

_olex2_diffrn_ambient_temperature_device 'Oxford Cryosystems'
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.584
_oxdiff_exptl_absorpt_empirical_full_min 0.713
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.502(4)
2 0.498(4)

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_P1Y
_database_code_depnum_ccdc_archive 'CCDC 1565184'
_audit_update_record             
;
2017-07-27 deposited with the CCDC.
2018-10-18 downloaded from the CCDC.
;
_audit_creation_date             2017-06-14
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2017.06.07 svn.r3419 for OlexSys, GUI svn.r5353)
;
#2017ncs0024
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C87 H127 Co N4 O9 P3 Si2 Y'
_chemical_formula_sum            'C87 H127 Co N4 O9 P3 Si2 Y'
_chemical_formula_weight         1669.85
_chemical_melting_point          ?
_chemical_oxdiff_formula         C60H88(C12H18)2CoYN4O9P3Si2
_chemical_oxdiff_usercomment     Y-Por
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co -2.3653 3.6143 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -0.2670 2.0244 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   18.2660(3)
_cell_length_b                   14.9061(2)
_cell_length_c                   33.9132(5)
_cell_angle_alpha                90
_cell_angle_beta                 104.4550(10)
_cell_angle_gamma                90
_cell_volume                     8941.4(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    36251
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      70.3940
_cell_measurement_theta_min      3.2520
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.517
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.80255
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.9g (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dark purple'
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    purple
_exptl_crystal_density_diffrn    1.240
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       'opaque prism'
_exptl_crystal_F_000             3552
_exptl_crystal_preparation       ?
_exptl_crystal_recrystallization_method 
'The material was recrystallised from a mixture of methanol and chlorobenzene by as supplied'
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0361
_diffrn_reflns_av_unetI/netI     0.0267
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            93429
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         70.075
_diffrn_reflns_theta_min         3.183
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'hybrid pixel detector'
_diffrn_detector_area_resol_mean 10
_diffrn_detector_dtime           0.000
_diffrn_detector_type            'Rigaku, HyPix 6000'
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_details      
'Data collection strategy using shutter-less operation of detector.'
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_details 'Rigaku, AFC11 quarter χ goniometer'
_diffrn_measurement_device_type  
'Rigaku 007HF equipped with Varimax confocal mirrors and an AFC11 goniometer and HyPix 6000 detector'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support 'MiTeGen MicroLoop'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0431313000
_diffrn_orient_matrix_UB_12      -0.0894821000
_diffrn_orient_matrix_UB_13      -0.0086236000
_diffrn_orient_matrix_UB_21      -0.0742283000
_diffrn_orient_matrix_UB_22      0.0515506000
_diffrn_orient_matrix_UB_23      -0.0172893000
_diffrn_orient_matrix_UB_31      0.0147645000
_diffrn_orient_matrix_UB_32      -0.0025798000
_diffrn_orient_matrix_UB_33      -0.0427763000
_diffrn_oxdiff_ac3_digest_frames 
;
0189c6fa5b8e462a518746c7f79f109ef8026945d71
;
_diffrn_oxdiff_ac3_digest_hkl    
;
01e63feba9464cecde32ef4e55529a5f8e7e13
;
_diffrn_radiation_collimation    'Varimax focusing mirrors'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_wavelength_determination fundamental
_diffrn_radiation_xray_symbol    K-L~3~
_diffrn_source                   'Rotating anode'
_diffrn_source_current           30.0
_diffrn_source_power             1.2
_diffrn_source_target            Cu
_diffrn_source_type              'Rigaku 007 HF'
_diffrn_source_voltage           40.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                15304
_reflns_number_total             16790
_reflns_odcompleteness_completeness 98.71
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     69.95
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.9g (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.9g (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.9g (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.360
_refine_diff_density_min         -0.601
_refine_diff_density_rms         0.055
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1275
_refine_ls_number_reflns         16790
_refine_ls_number_restraints     1416
_refine_ls_R_factor_all          0.0438
_refine_ls_R_factor_gt           0.0401
_refine_ls_restrained_S_all      1.047
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0576P)²+6.5794P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1050
_refine_ls_wR_factor_ref         0.1075
_refine_special_details          
'There is disorder of the phosphine ligands along with an isopropyl and t-butyl side-arms. As such various geometrical (SADI, DFIX, SAME) and displacement (RIGU) restraints along with displacement constraints (EADP) were employed.'
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 O209-C211
 1.4 with sigma of 0.02
 P203-C211
 -2.6 with sigma of 0.02
 C61-C67 \\sim C61-C67B
 with sigma of 0.02
 Si2-C40 \\sim Si2-C40B
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C105) = Uanis(C211)
Uanis(O105) = Uanis(O208)
4. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Same fragment restrains
{P101, P102, P103, O101, O102, O103, O104, O105, O106, O107, O108, O109, C101,
C102, C103, C104, C105, C106, C107, C108, C109, C110, C111, C112} sigma for
1-2: 0.02, 1-3: 0.04
as
{P201, P202, P203, O201, O202, O203, O204, O205, O206, O207, O208, O209, C201,
C202, C203, C204, C205, C206, C207, C208, C209, C210, C211, C212}
{C40, C41, C42} sigma for 1-2: 0.02, 1-3: 0.04
as
{C40B, C41B, C42B}
{C67, C68, C69, C70} sigma for 1-2: 0.02, 1-3: 0.04
as
{C67B, C68B, C69B, C70B}
6. Others
 Sof(P201)=Sof(P202)=Sof(P203)=Sof(O201)=Sof(O202)=Sof(O203)=Sof(O204)=
 Sof(O205)=Sof(O206)=Sof(O207)=Sof(O208)=Sof(O209)=Sof(C201)=Sof(H20A)=
 Sof(H20B)=Sof(C202)=Sof(H20C)=Sof(H20D)=Sof(H20E)=Sof(C203)=Sof(H20F)=
 Sof(H20G)=Sof(C204)=Sof(H20H)=Sof(H20I)=Sof(H20J)=Sof(C205)=Sof(H20K)=
 Sof(H20L)=Sof(C206)=Sof(H20M)=Sof(H20N)=Sof(H20O)=Sof(C207)=Sof(H20P)=
 Sof(H20Q)=Sof(C208)=Sof(H20R)=Sof(H20S)=Sof(H20T)=Sof(C209)=Sof(H20U)=
 Sof(H20V)=Sof(C210)=Sof(H21A)=Sof(H21B)=Sof(H21C)=Sof(C211)=Sof(H21D)=
 Sof(H21E)=Sof(C212)=Sof(H21F)=Sof(H21G)=Sof(H21H)=1-FVAR(1)
 Sof(P101)=Sof(P102)=Sof(P103)=Sof(O101)=Sof(O102)=Sof(O103)=Sof(O104)=
 Sof(O105)=Sof(O106)=Sof(O107)=Sof(O108)=Sof(O109)=Sof(C101)=Sof(H10A)=
 Sof(H10B)=Sof(C102)=Sof(H10C)=Sof(H10D)=Sof(H10E)=Sof(C103)=Sof(H10F)=
 Sof(H10G)=Sof(C104)=Sof(H10H)=Sof(H10I)=Sof(H10J)=Sof(C105)=Sof(H10K)=
 Sof(H10L)=Sof(C106)=Sof(H10M)=Sof(H10N)=Sof(H10O)=Sof(C107)=Sof(H10P)=
 Sof(H10Q)=Sof(C108)=Sof(H10R)=Sof(H10S)=Sof(H10T)=Sof(C109)=Sof(H10U)=
 Sof(H10V)=Sof(C110)=Sof(H11A)=Sof(H11B)=Sof(H11C)=Sof(C111)=Sof(H11D)=
 Sof(H11E)=Sof(C112)=Sof(H11F)=Sof(H11G)=Sof(H11H)=FVAR(1)
 Sof(C67B)=Sof(C68B)=Sof(H68D)=Sof(H68E)=Sof(H68F)=Sof(C69B)=Sof(H69D)=
 Sof(H69E)=Sof(H69F)=Sof(C70B)=Sof(H70D)=Sof(H70E)=Sof(H70F)=1-FVAR(2)
 Sof(C67)=Sof(C68)=Sof(H68A)=Sof(H68B)=Sof(H68C)=Sof(C69)=Sof(H69A)=Sof(H69B)=
 Sof(H69C)=Sof(C70)=Sof(H70A)=Sof(H70B)=Sof(H70C)=FVAR(2)
 Sof(C40B)=Sof(H40B)=Sof(C41B)=Sof(H41D)=Sof(H41E)=Sof(H41F)=Sof(C42B)=
 Sof(H42D)=Sof(H42E)=Sof(H42F)=1-FVAR(3)
 Sof(C40)=Sof(H40)=Sof(C41)=Sof(H41A)=Sof(H41B)=Sof(H41C)=Sof(C42)=Sof(H42A)=
 Sof(H42B)=Sof(H42C)=FVAR(3)
7.a Ternary CH refined with riding coordinates:
 C23(H23), C26(H26), C29(H29), C34(H34), C37(H37), C40(H40), C40B(H40B)
7.b Secondary CH2 refined with riding coordinates:
 C101(H10A,H10B), C103(H10F,H10G), C105(H10K,H10L), C107(H10P,H10Q), C109(H10U,
 H10V), C111(H11D,H11E), C201(H20A,H20B), C203(H20F,H20G), C205(H20K,H20L),
 C207(H20P,H20Q), C209(H20U,H20V), C211(H21D,H21E)
7.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C7(H7), C8(H8), C12(H12), C13(H13), C17(H17), C18(H18),
 C44(H44), C46(H46), C48(H48), C58(H58), C60(H60), C62(H62), C121(H121),
 C122(H122), C123(H123), C124(H124), C125(H125)
7.d Idealised Me refined as rotating group:
 C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C27(H27A,H27B,H27C), C28(H28A,H28B,
 H28C), C30(H30A,H30B,H30C), C31(H31A,H31B,H31C), C35(H35A,H35B,H35C), C36(H36A,
 H36B,H36C), C38(H38A,H38B,H38C), C39(H39A,H39B,H39C), C50(H50A,H50B,H50C),
 C51(H51A,H51B,H51C), C52(H52A,H52B,H52C), C54(H54A,H54B,H54C), C55(H55A,H55B,
 H55C), C56(H56A,H56B,H56C), C64(H64A,H64B,H64C), C65(H65A,H65B,H65C), C66(H66A,
 H66B,H66C), C41(H41A,H41B,H41C), C42(H42A,H42B,H42C), C68(H68A,H68B,H68C),
 C69(H69A,H69B,H69C), C70(H70A,H70B,H70C), C102(H10C,H10D,H10E), C104(H10H,H10I,
 H10J), C106(H10M,H10N,H10O), C108(H10R,H10S,H10T), C110(H11A,H11B,H11C),
 C112(H11F,H11G,H11H), C202(H20C,H20D,H20E), C204(H20H,H20I,H20J), C206(H20M,
 H20N,H20O), C208(H20R,H20S,H20T), C210(H21A,H21B,H21C), C212(H21F,H21G,H21H),
 C41B(H41D,H41E,H41F), C42B(H42D,H42E,H42F), C68B(H68D,H68E,H68F), C69B(H69D,
 H69E,H69F), C70B(H70D,H70E,H70F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Y1 Y 0.28829(2) 0.35837(2) 0.27361(2) 0.02281(6) Uani 1 1 d . U . . .
Co1 Co 0.18025(2) 0.61399(2) 0.25172(2) 0.02676(9) Uani 1 1 d . U . . .
Si1 Si 0.58957(3) 0.46034(4) 0.14553(2) 0.03105(14) Uani 1 1 d . U . . .
Si2 Si 0.10873(4) 0.14893(5) 0.44384(2) 0.03728(16) Uani 1 1 d D U . . .
N1 N 0.42273(10) 0.34969(12) 0.28795(5) 0.0255(4) Uani 1 1 d . U . . .
N2 N 0.32678(10) 0.29238(12) 0.33969(5) 0.0254(4) Uani 1 1 d . U . . .
N3 N 0.21456(9) 0.22539(12) 0.26928(5) 0.0238(4) Uani 1 1 d . U . . .
N4 N 0.31240(9) 0.28054(12) 0.21716(5) 0.0240(4) Uani 1 1 d . U . . .
C1 C 0.46177(12) 0.36658(15) 0.25927(7) 0.0281(4) Uani 1 1 d . U . . .
C2 C 0.53746(14) 0.39636(18) 0.27843(7) 0.0374(5) Uani 1 1 d . U . . .
H2 H 0.5753 0.4132 0.2651 0.045 Uiso 1 1 calc R . . . .
C3 C 0.54410(13) 0.39573(18) 0.31900(7) 0.0358(5) Uani 1 1 d . U . . .
H3 H 0.5877 0.4115 0.3397 0.043 Uiso 1 1 calc R . . . .
C4 C 0.47213(12) 0.36645(15) 0.32499(6) 0.0276(4) Uani 1 1 d . U . . .
C5 C 0.45610(13) 0.35404(14) 0.36290(6) 0.0275(4) Uani 1 1 d . U . . .
C6 C 0.38937(12) 0.31821(15) 0.36944(6) 0.0269(4) Uani 1 1 d . U . . .
C7 C 0.37685(13) 0.29993(16) 0.40910(6) 0.0314(5) Uani 1 1 d . U . . .
H7 H 0.4111 0.3119 0.4346 0.038 Uiso 1 1 calc R . . . .
C8 C 0.30773(13) 0.26289(16) 0.40317(6) 0.0316(5) Uani 1 1 d . U . . .
H8 H 0.2838 0.2441 0.4236 0.038 Uiso 1 1 calc R . . . .
C9 C 0.27692(12) 0.25727(15) 0.35958(6) 0.0264(4) Uani 1 1 d . U . . .
C10 C 0.20735(12) 0.21566(15) 0.34077(6) 0.0270(4) Uani 1 1 d . U . . .
C11 C 0.18050(12) 0.19788(14) 0.29869(6) 0.0252(4) Uani 1 1 d . U . . .
C12 C 0.11614(12) 0.14177(15) 0.28105(7) 0.0295(5) Uani 1 1 d . U . . .
H12 H 0.0823 0.1154 0.2949 0.035 Uiso 1 1 calc R . . . .
C13 C 0.11323(12) 0.13392(15) 0.24096(7) 0.0286(5) Uani 1 1 d . U . . .
H13 H 0.0774 0.1003 0.2214 0.034 Uiso 1 1 calc R . . . .
C14 C 0.17500(11) 0.18634(14) 0.23344(6) 0.0246(4) Uani 1 1 d . U . . .
C15 C 0.19465(11) 0.19161(14) 0.19591(6) 0.0248(4) Uani 1 1 d . U . . .
C16 C 0.25850(11) 0.23517(14) 0.18864(6) 0.0239(4) Uani 1 1 d . U . . .
C17 C 0.27787(12) 0.23874(15) 0.14975(6) 0.0274(4) Uani 1 1 d . U . . .
H17 H 0.2499 0.2132 0.1249 0.033 Uiso 1 1 calc R . . . .
C18 C 0.34325(12) 0.28526(15) 0.15543(6) 0.0273(4) Uani 1 1 d . U . . .
H18 H 0.3696 0.2989 0.1353 0.033 Uiso 1 1 calc R . . . .
C19 C 0.36525(11) 0.31016(14) 0.19789(6) 0.0245(4) Uani 1 1 d . U . . .
C20 C 0.43314(12) 0.35346(15) 0.21694(6) 0.0266(4) Uani 1 1 d . U . . .
C21 C 0.48086(13) 0.38352(15) 0.19162(7) 0.0294(5) Uani 1 1 d . U . . .
C22 C 0.52231(13) 0.41113(17) 0.17170(7) 0.0336(5) Uani 1 1 d . U . . .
C23 C 0.53182(15) 0.51837(19) 0.09839(8) 0.0426(6) Uani 1 1 d . U . . .
H23 H 0.5146 0.5764 0.1079 0.051 Uiso 1 1 calc R . . . .
C24 C 0.45975(18) 0.4678(3) 0.07689(10) 0.0653(9) Uani 1 1 d . U . . .
H24A H 0.4735 0.4106 0.0663 0.098 Uiso 1 1 calc GR . . . .
H24B H 0.4307 0.5041 0.0543 0.098 Uiso 1 1 calc GR . . . .
H24C H 0.4291 0.4562 0.0963 0.098 Uiso 1 1 calc GR . . . .
C25 C 0.57891(17) 0.5434(2) 0.06824(9) 0.0499(7) Uani 1 1 d . U . . .
H25A H 0.6243 0.5761 0.0826 0.075 Uiso 1 1 calc GR . . . .
H25B H 0.5487 0.5814 0.0466 0.075 Uiso 1 1 calc GR . . . .
H25C H 0.5938 0.4887 0.0562 0.075 Uiso 1 1 calc GR . . . .
C26 C 0.64829(15) 0.36366(17) 0.13478(8) 0.0391(6) Uani 1 1 d . U . . .
H26 H 0.6671 0.3315 0.1613 0.047 Uiso 1 1 calc R . . . .
C27 C 0.59990(18) 0.29535(19) 0.10540(9) 0.0488(7) Uani 1 1 d . U . . .
H27A H 0.5556 0.2789 0.1153 0.073 Uiso 1 1 calc GR . . . .
H27B H 0.6300 0.2416 0.1040 0.073 Uiso 1 1 calc GR . . . .
H27C H 0.5832 0.3221 0.0782 0.073 Uiso 1 1 calc GR . . . .
C28 C 0.71890(17) 0.3907(2) 0.12070(10) 0.0508(7) Uani 1 1 d . U . . .
H28A H 0.7035 0.4169 0.0934 0.076 Uiso 1 1 calc GR . . . .
H28B H 0.7502 0.3375 0.1201 0.076 Uiso 1 1 calc GR . . . .
H28C H 0.7481 0.4349 0.1397 0.076 Uiso 1 1 calc GR . . . .
C29 C 0.64825(15) 0.54213(18) 0.18259(8) 0.0432(6) Uani 1 1 d . U . . .
H29 H 0.6790 0.5780 0.1677 0.052 Uiso 1 1 calc R . . . .
C30 C 0.59820(19) 0.6073(2) 0.19911(11) 0.0569(8) Uani 1 1 d . U . . .
H30A H 0.5666 0.6416 0.1765 0.085 Uiso 1 1 calc GR . . . .
H30B H 0.6302 0.6486 0.2185 0.085 Uiso 1 1 calc GR . . . .
H30C H 0.5658 0.5734 0.2129 0.085 Uiso 1 1 calc GR . . . .
C31 C 0.70335(16) 0.4928(2) 0.21792(9) 0.0526(7) Uani 1 1 d . U . . .
H31A H 0.6747 0.4529 0.2315 0.079 Uiso 1 1 calc GR . . . .
H31B H 0.7311 0.5368 0.2375 0.079 Uiso 1 1 calc GR . . . .
H31C H 0.7392 0.4574 0.2071 0.079 Uiso 1 1 calc GR . . . .
C32 C 0.16417(13) 0.18545(16) 0.36839(7) 0.0311(5) Uani 1 1 d . U . . .
C33 C 0.13469(14) 0.16545(18) 0.39536(7) 0.0379(5) Uani 1 1 d . U . . .
C34 C 0.15616(17) 0.2468(2) 0.47691(8) 0.0473(6) Uani 1 1 d . U . . .
H34 H 0.2107 0.2454 0.4764 0.057 Uiso 1 1 calc R . . . .
C35 C 0.1254(2) 0.3375(2) 0.45919(12) 0.0735(10) Uani 1 1 d . U . . .
H35A H 0.1336 0.3442 0.4319 0.110 Uiso 1 1 calc GR . . . .
H35B H 0.1517 0.3857 0.4768 0.110 Uiso 1 1 calc GR . . . .
H35C H 0.0711 0.3407 0.4576 0.110 Uiso 1 1 calc GR . . . .
C36 C 0.15447(17) 0.2386(2) 0.52127(9) 0.0537(7) Uani 1 1 d . U . . .
H36A H 0.1019 0.2373 0.5233 0.080 Uiso 1 1 calc GR . . . .
H36B H 0.1805 0.2901 0.5365 0.080 Uiso 1 1 calc GR . . . .
H36C H 0.1799 0.1831 0.5327 0.080 Uiso 1 1 calc GR . . . .
C37 C 0.15266(14) 0.04099(18) 0.46690(8) 0.0390(5) Uani 1 1 d . U . . .
H37 H 0.1380 0.0322 0.4931 0.047 Uiso 1 1 calc R . . . .
C38 C 0.23928(16) 0.0459(2) 0.47686(10) 0.0530(7) Uani 1 1 d . U . . .
H38A H 0.2554 0.0565 0.4518 0.080 Uiso 1 1 calc GR . . . .
H38B H 0.2607 -0.0108 0.4891 0.080 Uiso 1 1 calc GR . . . .
H38C H 0.2570 0.0951 0.4960 0.080 Uiso 1 1 calc GR . . . .
C39 C 0.1249(2) -0.0407(2) 0.44020(10) 0.0599(8) Uani 1 1 d . U . . .
H39A H 0.0698 -0.0448 0.4349 0.090 Uiso 1 1 calc GR . . . .
H39B H 0.1479 -0.0951 0.4542 0.090 Uiso 1 1 calc GR . . . .
H39C H 0.1393 -0.0346 0.4144 0.090 Uiso 1 1 calc GR . . . .
C43 C 0.51749(13) 0.37754(15) 0.40000(6) 0.0290(5) Uani 1 1 d . U . . .
C44 C 0.52975(13) 0.46595(16) 0.41274(6) 0.0317(5) Uani 1 1 d . U . . .
H44 H 0.4998 0.5121 0.3973 0.038 Uiso 1 1 calc R . . . .
C45 C 0.58545(13) 0.48847(16) 0.44792(6) 0.0310(5) Uani 1 1 d . U . . .
C46 C 0.62774(13) 0.41867(16) 0.46976(6) 0.0304(5) Uani 1 1 d . U . . .
H46 H 0.6654 0.4326 0.4938 0.036 Uiso 1 1 calc R . . . .
C47 C 0.61710(12) 0.32910(16) 0.45772(6) 0.0290(4) Uani 1 1 d . U . . .
C48 C 0.56129(12) 0.31003(16) 0.42226(6) 0.0296(5) Uani 1 1 d . U . . .
H48 H 0.5532 0.2497 0.4132 0.036 Uiso 1 1 calc R . . . .
C49 C 0.59603(15) 0.58714(16) 0.46092(7) 0.0359(5) Uani 1 1 d . U . . .
C50 C 0.6116(2) 0.6438(2) 0.42615(8) 0.0625(10) Uani 1 1 d . U . . .
H50A H 0.6560 0.6201 0.4184 0.094 Uiso 1 1 calc GR . . . .
H50B H 0.6210 0.7061 0.4352 0.094 Uiso 1 1 calc GR . . . .
H50C H 0.5676 0.6413 0.4027 0.094 Uiso 1 1 calc GR . . . .
C51 C 0.66228(15) 0.60065(18) 0.49832(7) 0.0410(6) Uani 1 1 d . U . . .
H51A H 0.6523 0.5681 0.5215 0.061 Uiso 1 1 calc GR . . . .
H51B H 0.6681 0.6647 0.5048 0.061 Uiso 1 1 calc GR . . . .
H51C H 0.7088 0.5777 0.4925 0.061 Uiso 1 1 calc GR . . . .
C52 C 0.52449(17) 0.62201(19) 0.47159(10) 0.0515(7) Uani 1 1 d . U . . .
H52A H 0.4815 0.6170 0.4477 0.077 Uiso 1 1 calc GR . . . .
H52B H 0.5316 0.6850 0.4799 0.077 Uiso 1 1 calc GR . . . .
H52C H 0.5145 0.5864 0.4940 0.077 Uiso 1 1 calc GR . . . .
C53 C 0.66255(13) 0.25123(16) 0.48150(7) 0.0321(5) Uani 1 1 d . U . . .
C54 C 0.71698(16) 0.2826(2) 0.52085(8) 0.0488(7) Uani 1 1 d . U . . .
H54A H 0.7537 0.3245 0.5144 0.073 Uiso 1 1 calc GR . . . .
H54B H 0.7437 0.2308 0.5354 0.073 Uiso 1 1 calc GR . . . .
H54C H 0.6885 0.3128 0.5380 0.073 Uiso 1 1 calc GR . . . .
C55 C 0.70798(17) 0.2039(2) 0.45521(9) 0.0479(6) Uani 1 1 d . U . . .
H55A H 0.6734 0.1817 0.4302 0.072 Uiso 1 1 calc GR . . . .
H55B H 0.7359 0.1534 0.4704 0.072 Uiso 1 1 calc GR . . . .
H55C H 0.7437 0.2464 0.4482 0.072 Uiso 1 1 calc GR . . . .
C56 C 0.60778(15) 0.18348(19) 0.49257(8) 0.0443(6) Uani 1 1 d . U . . .
H56A H 0.5778 0.2132 0.5091 0.066 Uiso 1 1 calc GR . . . .
H56B H 0.6365 0.1340 0.5081 0.066 Uiso 1 1 calc GR . . . .
H56C H 0.5740 0.1600 0.4676 0.066 Uiso 1 1 calc GR . . . .
C57 C 0.14724(12) 0.14120(14) 0.16067(6) 0.0252(4) Uani 1 1 d . U . . .
C58 C 0.07419(12) 0.16891(15) 0.14138(6) 0.0263(4) Uani 1 1 d . U . . .
H58 H 0.0526 0.2185 0.1520 0.032 Uiso 1 1 calc R . . . .
C59 C 0.03224(12) 0.12513(14) 0.10672(6) 0.0257(4) Uani 1 1 d . U . . .
C60 C 0.06604(12) 0.05286(15) 0.09191(6) 0.0273(4) Uani 1 1 d . U . . .
H60 H 0.0387 0.0236 0.0679 0.033 Uiso 1 1 calc R . . . .
C61 C 0.13829(12) 0.02187(14) 0.11098(6) 0.0262(4) Uani 1 1 d D U . . .
C62 C 0.17787(12) 0.06711(15) 0.14560(6) 0.0274(4) Uani 1 1 d . U . . .
H62 H 0.2270 0.0470 0.1593 0.033 Uiso 1 1 calc R . . . .
C63 C -0.04744(12) 0.15541(15) 0.08401(7) 0.0284(4) Uani 1 1 d . U . . .
C64 C -0.10035(13) 0.07434(17) 0.07445(8) 0.0373(5) Uani 1 1 d . U . . .
H64A H -0.0817 0.0326 0.0569 0.056 Uiso 1 1 calc GR . . . .
H64B H -0.1513 0.0945 0.0605 0.056 Uiso 1 1 calc GR . . . .
H64C H -0.1019 0.0440 0.0999 0.056 Uiso 1 1 calc GR . . . .
C65 C -0.04330(14) 0.2010(2) 0.04402(8) 0.0433(6) Uani 1 1 d . U . . .
H65A H -0.0106 0.2539 0.0501 0.065 Uiso 1 1 calc GR . . . .
H65B H -0.0941 0.2193 0.0290 0.065 Uiso 1 1 calc GR . . . .
H65C H -0.0225 0.1588 0.0275 0.065 Uiso 1 1 calc GR . . . .
C66 C -0.08066(14) 0.22279(18) 0.10881(8) 0.0411(6) Uani 1 1 d . U . . .
H66A H -0.0827 0.1956 0.1348 0.062 Uiso 1 1 calc GR . . . .
H66B H -0.1318 0.2394 0.0936 0.062 Uiso 1 1 calc GR . . . .
H66C H -0.0487 0.2765 0.1139 0.062 Uiso 1 1 calc GR . . . .
C121 C 0.20141(15) 0.75073(16) 0.24808(9) 0.0418(6) Uani 1 1 d . U . . .
H121 H 0.2499 0.7770 0.2513 0.050 Uiso 1 1 calc R . . . .
C122 C 0.16481(15) 0.73495(17) 0.27930(8) 0.0420(6) Uani 1 1 d . U . . .
H122 H 0.1844 0.7488 0.3073 0.050 Uiso 1 1 calc R . . . .
C123 C 0.09363(14) 0.69480(17) 0.26184(8) 0.0383(5) Uani 1 1 d . U . . .
H123 H 0.0573 0.6769 0.2760 0.046 Uiso 1 1 calc R . . . .
C124 C 0.08655(14) 0.68617(16) 0.21944(8) 0.0368(5) Uani 1 1 d . U . . .
H124 H 0.0444 0.6616 0.2002 0.044 Uiso 1 1 calc R . . . .
C125 C 0.15298(15) 0.72048(17) 0.21079(8) 0.0390(5) Uani 1 1 d . U . . .
H125 H 0.1634 0.7229 0.1847 0.047 Uiso 1 1 calc R . . . .
C40 C 0.0047(2) 0.1632(4) 0.43839(14) 0.0337(12) Uani 0.648(12) 1 d D U P A 1
H40 H -0.0041 0.2271 0.4448 0.040 Uiso 0.648(12) 1 calc R . P A 1
C41 C -0.0280(7) 0.1035(10) 0.4671(3) 0.067(3) Uani 0.648(12) 1 d D U P A 1
H41A H -0.0247 0.0404 0.4597 0.101 Uiso 0.648(12) 1 calc GR . P A 1
H41B H -0.0811 0.1195 0.4645 0.101 Uiso 0.648(12) 1 calc GR . P A 1
H41C H 0.0009 0.1129 0.4953 0.101 Uiso 0.648(12) 1 calc GR . P A 1
C42 C -0.0381(4) 0.1460(5) 0.39430(19) 0.0443(16) Uani 0.648(12) 1 d D U P A 1
H42A H -0.0202 0.1875 0.3763 0.066 Uiso 0.648(12) 1 calc GR . P A 1
H42B H -0.0923 0.1554 0.3914 0.066 Uiso 0.648(12) 1 calc GR . P A 1
H42C H -0.0294 0.0841 0.3869 0.066 Uiso 0.648(12) 1 calc GR . P A 1
C67 C 0.1717(5) -0.0580(5) 0.0926(3) 0.0301(19) Uani 0.599(4) 1 d D U P B 1
C68 C 0.1232(3) -0.1412(3) 0.09371(17) 0.0479(13) Uani 0.599(4) 1 d D U P B 1
H68A H 0.1222 -0.1539 0.1219 0.072 Uiso 0.599(4) 1 calc GR . P B 1
H68B H 0.1449 -0.1926 0.0826 0.072 Uiso 0.599(4) 1 calc GR . P B 1
H68C H 0.0717 -0.1304 0.0774 0.072 Uiso 0.599(4) 1 calc GR . P B 1
C69 C 0.1721(3) -0.0376(3) 0.04807(13) 0.0439(11) Uani 0.599(4) 1 d D U P B 1
H69A H 0.1202 -0.0271 0.0321 0.066 Uiso 0.599(4) 1 calc GR . P B 1
H69B H 0.1936 -0.0887 0.0367 0.066 Uiso 0.599(4) 1 calc GR . P B 1
H69C H 0.2027 0.0160 0.0472 0.066 Uiso 0.599(4) 1 calc GR . P B 1
C70 C 0.2533(2) -0.0791(3) 0.11569(13) 0.0386(11) Uani 0.599(4) 1 d D U P B 1
H70A H 0.2850 -0.0261 0.1157 0.058 Uiso 0.599(4) 1 calc GR . P B 1
H70B H 0.2725 -0.1290 0.1023 0.058 Uiso 0.599(4) 1 calc GR . P B 1
H70C H 0.2546 -0.0958 0.1438 0.058 Uiso 0.599(4) 1 calc GR . P B 1
P101 P 0.29787(4) 0.59021(5) 0.25264(2) 0.02849(18) Uani 0.7163(11) 1 d D U P C
1
P102 P 0.18056(5) 0.52960(6) 0.30296(2) 0.0338(2) Uani 0.7163(11) 1 d D U P C 1
P103 P 0.14783(5) 0.49808(6) 0.21240(2) 0.0343(2) Uani 0.7163(11) 1 d D U P C 1
O101 O 0.32712(12) 0.49568(14) 0.25466(7) 0.0303(5) Uani 0.7163(11) 1 d D U P C
1
O102 O 0.23541(12) 0.45204(14) 0.31191(6) 0.0282(5) Uani 0.7163(11) 1 d D U P C
1
O103 O 0.18169(12) 0.40814(14) 0.22697(6) 0.0302(5) Uani 0.7163(11) 1 d D U P C
1
O104 O 0.31253(17) 0.63834(18) 0.21318(9) 0.0447(6) Uani 0.7163(11) 1 d D U P C
1
O105 O 0.3510(4) 0.6447(6) 0.2897(3) 0.0431(12) Uani 0.7163(11) 1 d D U P C 1
O106 O 0.18440(16) 0.58288(18) 0.34390(7) 0.0468(6) Uani 0.7163(11) 1 d D U P C
1
O107 O 0.0937(2) 0.4925(3) 0.29703(10) 0.0367(8) Uani 0.7163(11) 1 d D U P C 1
O108 O 0.05764(16) 0.49166(19) 0.20134(12) 0.0626(9) Uani 0.7163(11) 1 d D U P
C 1
O109 O 0.1548(4) 0.5161(7) 0.1693(2) 0.0575(19) Uani 0.7163(11) 1 d D U P C 1
C101 C 0.3787(3) 0.6266(5) 0.20036(17) 0.0774(19) Uani 0.7163(11) 1 d D U P C 1
H10A H 0.3927 0.5623 0.2027 0.093 Uiso 0.7163(11) 1 calc R . P C 1
H10B H 0.4200 0.6606 0.2187 0.093 Uiso 0.7163(11) 1 calc R . P C 1
C102 C 0.3721(5) 0.6558(5) 0.1585(2) 0.0583(16) Uani 0.7163(11) 1 d D U P C 1
H10C H 0.3398 0.6139 0.1397 0.088 Uiso 0.7163(11) 1 calc GR . P C 1
H10D H 0.4223 0.6574 0.1532 0.088 Uiso 0.7163(11) 1 calc GR . P C 1
H10E H 0.3497 0.7160 0.1547 0.088 Uiso 0.7163(11) 1 calc GR . P C 1
C103 C 0.4194(3) 0.6084(3) 0.31583(18) 0.0391(10) Uani 0.7163(11) 1 d D U P C 1
H10F H 0.4226 0.6282 0.3441 0.047 Uiso 0.7163(11) 1 calc R . P C 1
H10G H 0.4153 0.5421 0.3154 0.047 Uiso 0.7163(11) 1 calc R . P C 1
C104 C 0.4877(3) 0.6324(6) 0.3057(2) 0.0698(18) Uani 0.7163(11) 1 d D U P C 1
H10H H 0.4891 0.6047 0.2797 0.105 Uiso 0.7163(11) 1 calc GR . P C 1
H10I H 0.5309 0.6114 0.3270 0.105 Uiso 0.7163(11) 1 calc GR . P C 1
H10J H 0.4902 0.6978 0.3033 0.105 Uiso 0.7163(11) 1 calc GR . P C 1
C105 C 0.2524(4) 0.6108(4) 0.3669(2) 0.0434(11) Uani 0.7163(11) 1 d D U P C 1
H10K H 0.2440 0.6642 0.3825 0.052 Uiso 0.7163(11) 1 calc R . P C 1
H10L H 0.2835 0.6300 0.3483 0.052 Uiso 0.7163(11) 1 calc R . P C 1
C106 C 0.2962(5) 0.5444(5) 0.3958(2) 0.071(3) Uani 0.7163(11) 1 d D U P C 1
H10M H 0.3133 0.4960 0.3807 0.106 Uiso 0.7163(11) 1 calc GR . P C 1
H10N H 0.2642 0.5193 0.4124 0.106 Uiso 0.7163(11) 1 calc GR . P C 1
H10O H 0.3402 0.5738 0.4136 0.106 Uiso 0.7163(11) 1 calc GR . P C 1
C107 C 0.0820(7) 0.4131(8) 0.3196(5) 0.042(2) Uani 0.7163(11) 1 d D U P C 1
H10P H 0.1157 0.4144 0.3475 0.050 Uiso 0.7163(11) 1 calc R . P C 1
H10Q H 0.0929 0.3582 0.3057 0.050 Uiso 0.7163(11) 1 calc R . P C 1
C108 C 0.0006(6) 0.4145(8) 0.3214(4) 0.076(3) Uani 0.7163(11) 1 d D U P C 1
H10R H -0.0318 0.4228 0.2939 0.114 Uiso 0.7163(11) 1 calc GR . P C 1
H10S H -0.0075 0.4639 0.3389 0.114 Uiso 0.7163(11) 1 calc GR . P C 1
H10T H -0.0120 0.3575 0.3326 0.114 Uiso 0.7163(11) 1 calc GR . P C 1
C109 C 0.0201(3) 0.4087(4) 0.1894(2) 0.0741(18) Uani 0.7163(11) 1 d D U P C 1
H10U H 0.0395 0.3624 0.2104 0.089 Uiso 0.7163(11) 1 calc R . P C 1
H10V H 0.0297 0.3883 0.1634 0.089 Uiso 0.7163(11) 1 calc R . P C 1
C110 C -0.0607(6) 0.4212(8) 0.1847(4) 0.077(4) Uani 0.7163(11) 1 d D U P C 1
H11A H -0.0792 0.4687 0.1647 0.115 Uiso 0.7163(11) 1 calc GR . P C 1
H11B H -0.0700 0.4383 0.2109 0.115 Uiso 0.7163(11) 1 calc GR . P C 1
H11C H -0.0873 0.3651 0.1753 0.115 Uiso 0.7163(11) 1 calc GR . P C 1
C111 C 0.1984(5) 0.4652(5) 0.1484(2) 0.083(2) Uani 0.7163(11) 1 d D U P C 1
H11D H 0.1807 0.4025 0.1485 0.099 Uiso 0.7163(11) 1 calc R . P C 1
H11E H 0.2509 0.4664 0.1656 0.099 Uiso 0.7163(11) 1 calc R . P C 1
C112 C 0.2037(4) 0.4827(5) 0.10771(15) 0.099(2) Uani 0.7163(11) 1 d D U P C 1
H11F H 0.1609 0.4547 0.0884 0.148 Uiso 0.7163(11) 1 calc GR . P C 1
H11G H 0.2511 0.4577 0.1039 0.148 Uiso 0.7163(11) 1 calc GR . P C 1
H11H H 0.2028 0.5476 0.1030 0.148 Uiso 0.7163(11) 1 calc GR . P C 1
P201 P 0.12360(11) 0.48972(13) 0.26320(6) 0.0270(4) Uani 0.2837(11) 1 d D U P C
2
P202 P 0.22918(11) 0.54355(13) 0.20962(6) 0.0279(4) Uani 0.2837(11) 1 d D U P C
2
P203 P 0.28202(11) 0.58108(13) 0.29992(6) 0.0278(4) Uani 0.2837(11) 1 d D U P C
2
O201 O 0.1623(3) 0.4011(3) 0.26124(16) 0.0275(11) Uani 0.2837(11) 1 d D U P C 2
O202 O 0.2801(3) 0.4643(3) 0.22381(15) 0.0277(11) Uani 0.2837(11) 1 d D U P C 2
O203 O 0.2992(3) 0.4840(3) 0.31047(15) 0.0277(11) Uani 0.2837(11) 1 d D U P C 2
O204 O 0.1118(6) 0.5040(8) 0.3125(3) 0.042(2) Uani 0.2837(11) 1 d D U P C 2
O205 O 0.0438(3) 0.4834(4) 0.23083(19) 0.0324(12) Uani 0.2837(11) 1 d D U P C 2
O206 O 0.1736(10) 0.5166(14) 0.1697(5) 0.042(3) Uani 0.2837(11) 1 d D U P C 2
O207 O 0.2739(4) 0.6131(4) 0.1882(2) 0.0384(14) Uani 0.2837(11) 1 d D U P C 2
O208 O 0.3488(11) 0.6316(18) 0.2863(8) 0.0431(12) Uani 0.2837(11) 1 d D U P C 2
O209 O 0.2881(3) 0.6329(4) 0.34226(16) 0.0350(13) Uani 0.2837(11) 1 d D U P C 2
C201 C 0.0794(14) 0.4252(18) 0.3249(11) 0.032(4) Uani 0.2837(11) 1 d D U P C 2
H20A H 0.1052 0.4141 0.3538 0.039 Uiso 0.2837(11) 1 calc R . P C 2
H20B H 0.0922 0.3744 0.3090 0.039 Uiso 0.2837(11) 1 calc R . P C 2
C202 C -0.0018(9) 0.4215(12) 0.3213(5) 0.023(3) Uani 0.2837(11) 1 d D U P C 2
H20C H -0.0288 0.4158 0.2926 0.035 Uiso 0.2837(11) 1 calc GR . P C 2
H20D H -0.0179 0.4765 0.3325 0.035 Uiso 0.2837(11) 1 calc GR . P C 2
H20E H -0.0133 0.3696 0.3365 0.035 Uiso 0.2837(11) 1 calc GR . P C 2
C203 C 0.0093(6) 0.4027(7) 0.2118(3) 0.041(2) Uani 0.2837(11) 1 d D U P C 2
H20F H 0.0023 0.3605 0.2331 0.050 Uiso 0.2837(11) 1 calc R . P C 2
H20G H 0.0437 0.3739 0.1971 0.050 Uiso 0.2837(11) 1 calc R . P C 2
C204 C -0.0642(8) 0.4189(10) 0.1829(4) 0.021(3) Uani 0.2837(11) 1 d D U P C 2
H20H H -0.0584 0.4645 0.1631 0.032 Uiso 0.2837(11) 1 calc GR . P C 2
H20I H -0.1005 0.4401 0.1978 0.032 Uiso 0.2837(11) 1 calc GR . P C 2
H20J H -0.0827 0.3630 0.1687 0.032 Uiso 0.2837(11) 1 calc GR . P C 2
C205 C 0.1697(7) 0.4688(9) 0.1360(3) 0.043(3) Uani 0.2837(11) 1 d D U P C 2
H20K H 0.2216 0.4454 0.1392 0.051 Uiso 0.2837(11) 1 calc R . P C 2
H20L H 0.1622 0.5140 0.1140 0.051 Uiso 0.2837(11) 1 calc R . P C 2
C206 C 0.1244(7) 0.4003(7) 0.1198(3) 0.061(3) Uani 0.2837(11) 1 d D U P C 2
H20M H 0.1415 0.3748 0.0970 0.091 Uiso 0.2837(11) 1 calc GR . P C 2
H20N H 0.0724 0.4221 0.1099 0.091 Uiso 0.2837(11) 1 calc GR . P C 2
H20O H 0.1262 0.3540 0.1405 0.091 Uiso 0.2837(11) 1 calc GR . P C 2
C207 C 0.3491(6) 0.5935(8) 0.1834(4) 0.051(3) Uani 0.2837(11) 1 d D U P C 2
H20P H 0.3469 0.5496 0.1613 0.062 Uiso 0.2837(11) 1 calc R . P C 2
H20Q H 0.3819 0.5694 0.2090 0.062 Uiso 0.2837(11) 1 calc R . P C 2
C208 C 0.3785(15) 0.6845(13) 0.1728(8) 0.092(9) Uani 0.2837(11) 1 d D U P C 2
H20R H 0.3459 0.7064 0.1471 0.138 Uiso 0.2837(11) 1 calc GR . P C 2
H20S H 0.4303 0.6776 0.1699 0.138 Uiso 0.2837(11) 1 calc GR . P C 2
H20T H 0.3781 0.7276 0.1945 0.138 Uiso 0.2837(11) 1 calc GR . P C 2
C209 C 0.4253(10) 0.626(2) 0.3084(7) 0.106(9) Uani 0.2837(11) 1 d D U P C 2
H20U H 0.4345 0.5653 0.3202 0.128 Uiso 0.2837(11) 1 calc R . P C 2
H20V H 0.4332 0.6692 0.3314 0.128 Uiso 0.2837(11) 1 calc R . P C 2
C210 C 0.4802(8) 0.6437(15) 0.2864(5) 0.067(5) Uani 0.2837(11) 1 d D U P C 2
H21A H 0.4762 0.5986 0.2650 0.101 Uiso 0.2837(11) 1 calc GR . P C 2
H21B H 0.5308 0.6411 0.3050 0.101 Uiso 0.2837(11) 1 calc GR . P C 2
H21C H 0.4717 0.7035 0.2741 0.101 Uiso 0.2837(11) 1 calc GR . P C 2
C211 C 0.2556(12) 0.5893(13) 0.3727(6) 0.0434(11) Uani 0.2837(11) 1 d D U P C 2
H21D H 0.2400 0.6384 0.3886 0.052 Uiso 0.2837(11) 1 calc R . P C 2
H21E H 0.2084 0.5601 0.3573 0.052 Uiso 0.2837(11) 1 calc R . P C 2
C212 C 0.2922(5) 0.5270(9) 0.4009(4) 0.019(2) Uani 0.2837(11) 1 d D U P C 2
H21F H 0.3435 0.5482 0.4135 0.028 Uiso 0.2837(11) 1 calc GR . P C 2
H21G H 0.2949 0.4696 0.3872 0.028 Uiso 0.2837(11) 1 calc GR . P C 2
H21H H 0.2644 0.5190 0.4218 0.028 Uiso 0.2837(11) 1 calc GR . P C 2
C40B C 0.0001(5) 0.1186(9) 0.4276(3) 0.044(3) Uani 0.352(12) 1 d D U P A 2
H40B H -0.0055 0.0563 0.4162 0.053 Uiso 0.352(12) 1 calc R . P A 2
C41B C -0.0265(11) 0.1192(14) 0.4672(4) 0.043(4) Uani 0.352(12) 1 d D U P A 2
H41D H 0.0025 0.0750 0.4862 0.065 Uiso 0.352(12) 1 calc GR . P A 2
H41E H -0.0804 0.1040 0.4611 0.065 Uiso 0.352(12) 1 calc GR . P A 2
H41F H -0.0186 0.1790 0.4795 0.065 Uiso 0.352(12) 1 calc GR . P A 2
C42B C -0.0481(10) 0.1816(11) 0.3962(4) 0.061(4) Uani 0.352(12) 1 d D U P A 2
H42D H -0.0463 0.2421 0.4077 0.092 Uiso 0.352(12) 1 calc GR . P A 2
H42E H -0.1004 0.1602 0.3889 0.092 Uiso 0.352(12) 1 calc GR . P A 2
H42F H -0.0284 0.1831 0.3719 0.092 Uiso 0.352(12) 1 calc GR . P A 2
C67B C 0.1748(8) -0.0603(8) 0.0965(4) 0.034(3) Uani 0.401(4) 1 d D U P B 2
C68B C 0.1260(4) -0.0974(5) 0.05695(19) 0.0437(17) Uani 0.401(4) 1 d D U P B 2
H68D H 0.0767 -0.1153 0.0610 0.066 Uiso 0.401(4) 1 calc GR . P B 2
H68E H 0.1509 -0.1497 0.0486 0.066 Uiso 0.401(4) 1 calc GR . P B 2
H68F H 0.1188 -0.0512 0.0358 0.066 Uiso 0.401(4) 1 calc GR . P B 2
C69B C 0.2506(4) -0.0297(5) 0.0892(2) 0.0449(17) Uani 0.401(4) 1 d D U P B 2
H69D H 0.2415 0.0171 0.0682 0.067 Uiso 0.401(4) 1 calc GR . P B 2
H69E H 0.2758 -0.0809 0.0801 0.067 Uiso 0.401(4) 1 calc GR . P B 2
H69F H 0.2827 -0.0057 0.1146 0.067 Uiso 0.401(4) 1 calc GR . P B 2
C70B C 0.1879(4) -0.1321(4) 0.1296(2) 0.0417(16) Uani 0.401(4) 1 d D U P B 2
H70D H 0.2214 -0.1083 0.1546 0.063 Uiso 0.401(4) 1 calc GR . P B 2
H70E H 0.2112 -0.1849 0.1206 0.063 Uiso 0.401(4) 1 calc GR . P B 2
H70F H 0.1394 -0.1490 0.1349 0.063 Uiso 0.401(4) 1 calc GR . P B 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Y1 N1 2.3849(18) . ?
Y1 N2 2.3870(17) . ?
Y1 N3 2.3803(17) . ?
Y1 N4 2.3719(17) . ?
Y1 O101 2.309(2) . ?
Y1 O102 2.279(2) . ?
Y1 O103 2.304(2) . ?
Y1 O201 2.324(5) . ?
Y1 O202 2.290(5) . ?
Y1 O203 2.233(5) . ?
Co1 C121 2.084(3) . ?
Co1 C122 2.082(3) . ?
Co1 C123 2.084(2) . ?
Co1 C124 2.086(2) . ?
Co1 C125 2.086(2) . ?
Co1 P101 2.1699(9) . ?
Co1 P102 2.1439(9) . ?
Co1 P103 2.1727(9) . ?
Co1 P201 2.203(2) . ?
Co1 P202 2.139(2) . ?
Co1 P203 2.2024(19) . ?
Si1 C22 1.838(2) . ?
Si1 C23 1.890(3) . ?
Si1 C26 1.886(3) . ?
Si1 C29 1.882(3) . ?
Si2 C33 1.838(2) . ?
Si2 C34 1.910(3) . ?
Si2 C37 1.879(3) . ?
Si2 C40 1.874(4) . ?
Si2 C40B 1.975(9) . ?
N1 C1 1.365(3) . ?
N1 C4 1.374(3) . ?
N2 C6 1.377(3) . ?
N2 C9 1.366(3) . ?
N3 C11 1.364(3) . ?
N3 C14 1.378(3) . ?
N4 C16 1.374(3) . ?
N4 C19 1.367(3) . ?
C1 C2 1.443(3) . ?
C1 C20 1.414(3) . ?
C2 H2 0.9500 . ?
C2 C3 1.351(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.447(3) . ?
C4 C5 1.400(3) . ?
C5 C6 1.398(3) . ?
C5 C43 1.503(3) . ?
C6 C7 1.445(3) . ?
C7 H7 0.9500 . ?
C7 C8 1.346(3) . ?
C8 H8 0.9500 . ?
C8 C9 1.447(3) . ?
C9 C10 1.415(3) . ?
C10 C11 1.413(3) . ?
C10 C32 1.439(3) . ?
C11 C12 1.445(3) . ?
C12 H12 0.9500 . ?
C12 C13 1.352(3) . ?
C13 H13 0.9500 . ?
C13 C14 1.446(3) . ?
C14 C15 1.408(3) . ?
C15 C16 1.409(3) . ?
C15 C57 1.492(3) . ?
C16 C17 1.450(3) . ?
C17 H17 0.9500 . ?
C17 C18 1.352(3) . ?
C18 H18 0.9500 . ?
C18 C19 1.444(3) . ?
C19 C20 1.404(3) . ?
C20 C21 1.439(3) . ?
C21 C22 1.206(3) . ?
C23 H23 1.0000 . ?
C23 C24 1.535(4) . ?
C23 C25 1.538(3) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26 1.0000 . ?
C26 C27 1.540(4) . ?
C26 C28 1.537(4) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29 1.0000 . ?
C29 C30 1.532(4) . ?
C29 C31 1.545(4) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 C33 1.209(3) . ?
C34 H34 1.0000 . ?
C34 C35 1.529(4) . ?
C34 C36 1.517(4) . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37 1.0000 . ?
C37 C38 1.535(4) . ?
C37 C39 1.526(4) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C43 C44 1.388(3) . ?
C43 C48 1.386(3) . ?
C44 H44 0.9500 . ?
C44 C45 1.402(3) . ?
C45 C46 1.394(3) . ?
C45 C49 1.534(3) . ?
C46 H46 0.9500 . ?
C46 C47 1.395(3) . ?
C47 C48 1.398(3) . ?
C47 C53 1.534(3) . ?
C48 H48 0.9500 . ?
C49 C50 1.533(4) . ?
C49 C51 1.532(3) . ?
C49 C52 1.531(4) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 C54 1.525(3) . ?
C53 C55 1.533(4) . ?
C53 C56 1.533(3) . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 C58 1.394(3) . ?
C57 C62 1.392(3) . ?
C58 H58 0.9500 . ?
C58 C59 1.395(3) . ?
C59 C60 1.396(3) . ?
C59 C63 1.535(3) . ?
C60 H60 0.9500 . ?
C60 C61 1.395(3) . ?
C61 C62 1.390(3) . ?
C61 C67 1.539(8) . ?
C61 C67B 1.533(11) . ?
C62 H62 0.9500 . ?
C63 C64 1.531(3) . ?
C63 C65 1.536(3) . ?
C63 C66 1.530(3) . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C121 H121 0.9500 . ?
C121 C122 1.406(4) . ?
C121 C125 1.424(4) . ?
C122 H122 0.9500 . ?
C122 C123 1.419(4) . ?
C123 H123 0.9500 . ?
C123 C124 1.417(4) . ?
C124 H124 0.9500 . ?
C124 C125 1.413(4) . ?
C125 H125 0.9500 . ?
C40 H40 1.0000 . ?
C40 C41 1.544(9) . ?
C40 C42 1.527(7) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C67 C68 1.530(9) . ?
C67 C69 1.542(9) . ?
C67 C70 1.534(9) . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
P101 O101 1.503(2) . ?
P101 O104 1.599(2) . ?
P101 O105 1.605(8) . ?
P102 O102 1.510(2) . ?
P102 O106 1.586(3) . ?
P102 O107 1.645(4) . ?
P103 O103 1.507(2) . ?
P103 O108 1.599(3) . ?
P103 O109 1.524(8) . ?
O104 C101 1.393(6) . ?
O105 C103 1.444(9) . ?
O106 C105 1.356(8) . ?
O107 C107 1.454(9) . ?
O108 C109 1.423(5) . ?
O109 C111 1.412(9) . ?
C101 H10A 0.9900 . ?
C101 H10B 0.9900 . ?
C101 C102 1.460(8) . ?
C102 H10C 0.9800 . ?
C102 H10D 0.9800 . ?
C102 H10E 0.9800 . ?
C103 H10F 0.9900 . ?
C103 H10G 0.9900 . ?
C103 C104 1.420(7) . ?
C104 H10H 0.9800 . ?
C104 H10I 0.9800 . ?
C104 H10J 0.9800 . ?
C105 H10K 0.9900 . ?
C105 H10L 0.9900 . ?
C105 C106 1.481(8) . ?
C106 H10M 0.9800 . ?
C106 H10N 0.9800 . ?
C106 H10O 0.9800 . ?
C107 H10P 0.9900 . ?
C107 H10Q 0.9900 . ?
C107 C108 1.503(11) . ?
C108 H10R 0.9800 . ?
C108 H10S 0.9800 . ?
C108 H10T 0.9800 . ?
C109 H10U 0.9900 . ?
C109 H10V 0.9900 . ?
C109 C110 1.456(11) . ?
C110 H11A 0.9800 . ?
C110 H11B 0.9800 . ?
C110 H11C 0.9800 . ?
C111 H11D 0.9900 . ?
C111 H11E 0.9900 . ?
C111 C112 1.430(8) . ?
C112 H11F 0.9800 . ?
C112 H11G 0.9800 . ?
C112 H11H 0.9800 . ?
P201 O201 1.507(5) . ?
P201 O204 1.753(9) . ?
P201 O205 1.593(5) . ?
P202 O202 1.506(5) . ?
P202 O206 1.530(13) . ?
P202 O207 1.603(6) . ?
P203 O203 1.505(5) . ?
P203 O208 1.597(16) . ?
P203 O209 1.610(6) . ?
O204 C201 1.424(17) . ?
O205 C203 1.436(11) . ?
O206 C205 1.333(16) . ?
O207 C207 1.452(11) . ?
O208 C209 1.414(18) . ?
O209 C211 1.465(12) . ?
C201 H20A 0.9900 . ?
C201 H20B 0.9900 . ?
C201 C202 1.46(2) . ?
C202 H20C 0.9800 . ?
C202 H20D 0.9800 . ?
C202 H20E 0.9800 . ?
C203 H20F 0.9900 . ?
C203 H20G 0.9900 . ?
C203 C204 1.471(14) . ?
C204 H20H 0.9800 . ?
C204 H20I 0.9800 . ?
C204 H20J 0.9800 . ?
C205 H20K 0.9900 . ?
C205 H20L 0.9900 . ?
C205 C206 1.343(15) . ?
C206 H20M 0.9800 . ?
C206 H20N 0.9800 . ?
C206 H20O 0.9800 . ?
C207 H20P 0.9900 . ?
C207 H20Q 0.9900 . ?
C207 C208 1.534(17) . ?
C208 H20R 0.9800 . ?
C208 H20S 0.9800 . ?
C208 H20T 0.9800 . ?
C209 H20U 0.9900 . ?
C209 H20V 0.9900 . ?
C209 C210 1.415(18) . ?
C210 H21A 0.9800 . ?
C210 H21B 0.9800 . ?
C210 H21C 0.9800 . ?
C211 H21D 0.9900 . ?
C211 H21E 0.9900 . ?
C211 C212 1.380(15) . ?
C212 H21F 0.9800 . ?
C212 H21G 0.9800 . ?
C212 H21H 0.9800 . ?
C40B H40B 1.0000 . ?
C40B C41B 1.539(13) . ?
C40B C42B 1.524(12) . ?
C41B H41D 0.9800 . ?
C41B H41E 0.9800 . ?
C41B H41F 0.9800 . ?
C42B H42D 0.9800 . ?
C42B H42E 0.9800 . ?
C42B H42F 0.9800 . ?
C67B C68B 1.518(13) . ?
C67B C69B 1.535(14) . ?
C67B C70B 1.526(14) . ?
C68B H68D 0.9800 . ?
C68B H68E 0.9800 . ?
C68B H68F 0.9800 . ?
C69B H69D 0.9800 . ?
C69B H69E 0.9800 . ?
C69B H69F 0.9800 . ?
C70B H70D 0.9800 . ?
C70B H70E 0.9800 . ?
C70B H70F 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Y1 N2 74.89(6) . . ?
N3 Y1 N1 120.36(6) . . ?
N3 Y1 N2 75.18(6) . . ?
N4 Y1 N1 75.45(6) . . ?
N4 Y1 N2 119.05(6) . . ?
N4 Y1 N3 76.06(6) . . ?
O101 Y1 N1 74.49(7) . . ?
O101 Y1 N2 125.99(7) . . ?
O101 Y1 N3 158.32(7) . . ?
O101 Y1 N4 94.42(7) . . ?
O102 Y1 N1 118.58(7) . . ?
O102 Y1 N2 77.58(7) . . ?
O102 Y1 N3 103.39(7) . . ?
O102 Y1 N4 161.81(7) . . ?
O102 Y1 O101 79.57(7) . . ?
O102 Y1 O103 77.78(7) . . ?
O103 Y1 N1 143.93(7) . . ?
O103 Y1 N2 141.07(7) . . ?
O103 Y1 N3 81.81(7) . . ?
O103 Y1 N4 84.18(7) . . ?
O103 Y1 O101 77.83(8) . . ?
O201 Y1 N1 167.16(13) . . ?
O201 Y1 N2 109.21(14) . . ?
O201 Y1 N3 72.39(14) . . ?
O201 Y1 N4 111.32(13) . . ?
O202 Y1 N1 93.54(14) . . ?
O202 Y1 N2 157.87(14) . . ?
O202 Y1 N3 126.68(14) . . ?
O202 Y1 N4 74.52(13) . . ?
O202 Y1 O201 78.38(18) . . ?
O203 Y1 N1 89.29(14) . . ?
O203 Y1 N2 81.71(14) . . ?
O203 Y1 N3 134.69(14) . . ?
O203 Y1 N4 148.59(14) . . ?
O203 Y1 O201 79.47(18) . . ?
O203 Y1 O202 79.31(18) . . ?
C121 Co1 C123 66.68(10) . . ?
C121 Co1 C124 66.69(10) . . ?
C121 Co1 C125 39.93(10) . . ?
C121 Co1 P101 87.88(8) . . ?
C121 Co1 P102 131.22(8) . . ?
C121 Co1 P103 140.13(8) . . ?
C121 Co1 P201 159.22(9) . . ?
C121 Co1 P202 109.02(10) . . ?
C121 Co1 P203 97.31(9) . . ?
C122 Co1 C121 39.44(11) . . ?
C122 Co1 C123 39.84(10) . . ?
C122 Co1 C124 66.65(10) . . ?
C122 Co1 C125 66.63(11) . . ?
C122 Co1 P101 112.31(8) . . ?
C122 Co1 P102 96.74(8) . . ?
C122 Co1 P103 156.56(8) . . ?
C122 Co1 P201 121.76(10) . . ?
C122 Co1 P202 148.28(10) . . ?
C122 Co1 P203 92.49(9) . . ?
C123 Co1 C124 39.73(10) . . ?
C123 Co1 C125 66.71(10) . . ?
C123 Co1 P101 151.85(8) . . ?
C123 Co1 P102 93.11(8) . . ?
C123 Co1 P103 117.31(8) . . ?
C123 Co1 P201 92.72(9) . . ?
C123 Co1 P202 148.68(9) . . ?
C123 Co1 P203 122.78(9) . . ?
C124 Co1 P101 140.49(8) . . ?
C124 Co1 P102 124.32(8) . . ?
C124 Co1 P103 91.48(7) . . ?
C124 Co1 P201 99.58(9) . . ?
C124 Co1 P202 109.12(9) . . ?
C124 Co1 P203 159.14(9) . . ?
C125 Co1 C124 39.61(10) . . ?
C125 Co1 P101 101.83(8) . . ?
C125 Co1 P102 159.70(8) . . ?
C125 Co1 P103 102.32(8) . . ?
C125 Co1 P201 135.46(9) . . ?
C125 Co1 P202 89.97(9) . . ?
C125 Co1 P203 132.89(9) . . ?
P101 Co1 P103 89.77(3) . . ?
P102 Co1 P101 95.18(3) . . ?
P102 Co1 P103 88.63(4) . . ?
P202 Co1 P201 89.89(7) . . ?
P202 Co1 P203 88.29(7) . . ?
P203 Co1 P201 91.62(7) . . ?
C22 Si1 C23 106.97(11) . . ?
C22 Si1 C26 105.62(11) . . ?
C22 Si1 C29 105.89(11) . . ?
C26 Si1 C23 114.24(12) . . ?
C29 Si1 C23 111.89(13) . . ?
C29 Si1 C26 111.56(12) . . ?
C33 Si2 C34 104.03(12) . . ?
C33 Si2 C37 107.96(12) . . ?
C33 Si2 C40 112.22(15) . . ?
C33 Si2 C40B 104.3(3) . . ?
C34 Si2 C40B 128.0(4) . . ?
C37 Si2 C34 108.98(12) . . ?
C37 Si2 C40B 102.4(3) . . ?
C40 Si2 C34 105.7(2) . . ?
C40 Si2 C37 117.07(19) . . ?
C1 N1 Y1 122.63(14) . . ?
C1 N1 C4 106.09(17) . . ?
C4 N1 Y1 125.74(14) . . ?
C6 N2 Y1 124.64(14) . . ?
C9 N2 Y1 123.03(13) . . ?
C9 N2 C6 106.24(17) . . ?
C11 N3 Y1 124.04(14) . . ?
C11 N3 C14 106.47(17) . . ?
C14 N3 Y1 124.75(13) . . ?
C16 N4 Y1 124.35(13) . . ?
C19 N4 Y1 121.56(13) . . ?
C19 N4 C16 106.86(16) . . ?
N1 C1 C2 110.37(19) . . ?
N1 C1 C20 124.85(19) . . ?
C20 C1 C2 124.7(2) . . ?
C1 C2 H2 126.6 . . ?
C3 C2 C1 106.8(2) . . ?
C3 C2 H2 126.6 . . ?
C2 C3 H3 126.5 . . ?
C2 C3 C4 106.9(2) . . ?
C4 C3 H3 126.5 . . ?
N1 C4 C3 109.80(19) . . ?
N1 C4 C5 125.1(2) . . ?
C5 C4 C3 125.1(2) . . ?
C4 C5 C43 117.04(19) . . ?
C6 C5 C4 125.90(19) . . ?
C6 C5 C43 117.00(19) . . ?
N2 C6 C5 126.00(19) . . ?
N2 C6 C7 109.48(19) . . ?
C5 C6 C7 124.49(19) . . ?
C6 C7 H7 126.3 . . ?
C8 C7 C6 107.39(19) . . ?
C8 C7 H7 126.3 . . ?
C7 C8 H8 126.7 . . ?
C7 C8 C9 106.69(19) . . ?
C9 C8 H8 126.7 . . ?
N2 C9 C8 110.18(19) . . ?
N2 C9 C10 125.47(19) . . ?
C10 C9 C8 124.2(2) . . ?
C9 C10 C32 114.86(19) . . ?
C11 C10 C9 125.69(19) . . ?
C11 C10 C32 119.3(2) . . ?
N3 C11 C10 125.13(19) . . ?
N3 C11 C12 110.10(18) . . ?
C10 C11 C12 124.60(19) . . ?
C11 C12 H12 126.6 . . ?
C13 C12 C11 106.86(19) . . ?
C13 C12 H12 126.6 . . ?
C12 C13 H13 126.5 . . ?
C12 C13 C14 107.08(19) . . ?
C14 C13 H13 126.5 . . ?
N3 C14 C13 109.45(18) . . ?
N3 C14 C15 125.30(18) . . ?
C15 C14 C13 125.12(19) . . ?
C14 C15 C16 126.33(18) . . ?
C14 C15 C57 117.91(18) . . ?
C16 C15 C57 115.61(18) . . ?
N4 C16 C15 125.65(18) . . ?
N4 C16 C17 109.14(17) . . ?
C15 C16 C17 125.22(18) . . ?
C16 C17 H17 126.4 . . ?
C18 C17 C16 107.24(18) . . ?
C18 C17 H17 126.4 . . ?
C17 C18 H18 126.6 . . ?
C17 C18 C19 106.86(18) . . ?
C19 C18 H18 126.6 . . ?
N4 C19 C18 109.87(18) . . ?
N4 C19 C20 125.21(18) . . ?
C20 C19 C18 124.81(19) . . ?
C1 C20 C21 115.92(19) . . ?
C19 C20 C1 126.23(19) . . ?
C19 C20 C21 117.75(19) . . ?
C22 C21 C20 177.2(2) . . ?
C21 C22 Si1 174.5(2) . . ?
Si1 C23 H23 106.1 . . ?
C24 C23 Si1 114.10(19) . . ?
C24 C23 H23 106.1 . . ?
C24 C23 C25 111.1(2) . . ?
C25 C23 Si1 112.76(18) . . ?
C25 C23 H23 106.1 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si1 C26 H26 106.1 . . ?
C27 C26 Si1 111.60(19) . . ?
C27 C26 H26 106.1 . . ?
C28 C26 Si1 114.94(19) . . ?
C28 C26 H26 106.1 . . ?
C28 C26 C27 111.3(2) . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Si1 C29 H29 107.9 . . ?
C30 C29 Si1 111.24(19) . . ?
C30 C29 H29 107.9 . . ?
C30 C29 C31 110.5(2) . . ?
C31 C29 Si1 111.22(19) . . ?
C31 C29 H29 107.9 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C33 C32 C10 171.7(3) . . ?
C32 C33 Si2 166.7(2) . . ?
Si2 C34 H34 106.4 . . ?
C35 C34 Si2 112.1(2) . . ?
C35 C34 H34 106.4 . . ?
C36 C34 Si2 113.7(2) . . ?
C36 C34 H34 106.4 . . ?
C36 C34 C35 111.3(3) . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C34 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
Si2 C37 H37 107.5 . . ?
C38 C37 Si2 111.12(18) . . ?
C38 C37 H37 107.5 . . ?
C39 C37 Si2 113.1(2) . . ?
C39 C37 H37 107.5 . . ?
C39 C37 C38 109.9(2) . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C44 C43 C5 120.7(2) . . ?
C48 C43 C5 119.7(2) . . ?
C48 C43 C44 119.6(2) . . ?
C43 C44 H44 119.4 . . ?
C43 C44 C45 121.3(2) . . ?
C45 C44 H44 119.4 . . ?
C44 C45 C49 119.1(2) . . ?
C46 C45 C44 117.5(2) . . ?
C46 C45 C49 123.35(19) . . ?
C45 C46 H46 118.6 . . ?
C45 C46 C47 122.7(2) . . ?
C47 C46 H46 118.6 . . ?
C46 C47 C48 117.7(2) . . ?
C46 C47 C53 123.55(19) . . ?
C48 C47 C53 118.8(2) . . ?
C43 C48 C47 121.2(2) . . ?
C43 C48 H48 119.4 . . ?
C47 C48 H48 119.4 . . ?
C50 C49 C45 109.9(2) . . ?
C51 C49 C45 112.4(2) . . ?
C51 C49 C50 107.8(2) . . ?
C52 C49 C45 109.9(2) . . ?
C52 C49 C50 109.1(3) . . ?
C52 C49 C51 107.7(2) . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C49 C51 H51A 109.5 . . ?
C49 C51 H51B 109.5 . . ?
C49 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C49 C52 H52A 109.5 . . ?
C49 C52 H52B 109.5 . . ?
C49 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C54 C53 C47 112.1(2) . . ?
C54 C53 C55 108.7(2) . . ?
C54 C53 C56 108.1(2) . . ?
C55 C53 C47 110.05(19) . . ?
C56 C53 C47 109.07(19) . . ?
C56 C53 C55 108.7(2) . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C53 C55 H55A 109.5 . . ?
C53 C55 H55B 109.5 . . ?
C53 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C53 C56 H56A 109.5 . . ?
C53 C56 H56B 109.5 . . ?
C53 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C58 C57 C15 121.52(19) . . ?
C62 C57 C15 119.18(18) . . ?
C62 C57 C58 119.24(19) . . ?
C57 C58 H58 119.4 . . ?
C57 C58 C59 121.1(2) . . ?
C59 C58 H58 119.4 . . ?
C58 C59 C60 117.71(19) . . ?
C58 C59 C63 122.56(19) . . ?
C60 C59 C63 119.70(19) . . ?
C59 C60 H60 118.6 . . ?
C61 C60 C59 122.74(19) . . ?
C61 C60 H60 118.6 . . ?
C60 C61 C67 119.5(4) . . ?
C60 C61 C67B 123.6(5) . . ?
C62 C61 C60 117.6(2) . . ?
C62 C61 C67 122.9(4) . . ?
C62 C61 C67B 118.8(5) . . ?
C57 C62 H62 119.2 . . ?
C61 C62 C57 121.5(2) . . ?
C61 C62 H62 119.2 . . ?
C59 C63 C65 108.90(18) . . ?
C64 C63 C59 110.10(18) . . ?
C64 C63 C65 109.3(2) . . ?
C66 C63 C59 111.95(18) . . ?
C66 C63 C64 108.6(2) . . ?
C66 C63 C65 108.0(2) . . ?
C63 C64 H64A 109.5 . . ?
C63 C64 H64B 109.5 . . ?
C63 C64 H64C 109.5 . . ?
H64A C64 H64B 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C63 C65 H65A 109.5 . . ?
C63 C65 H65B 109.5 . . ?
C63 C65 H65C 109.5 . . ?
H65A C65 H65B 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C63 C66 H66A 109.5 . . ?
C63 C66 H66B 109.5 . . ?
C63 C66 H66C 109.5 . . ?
H66A C66 H66B 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
Co1 C121 H121 125.3 . . ?
C122 C121 Co1 70.22(15) . . ?
C122 C121 H121 126.0 . . ?
C122 C121 C125 108.0(2) . . ?
C125 C121 Co1 70.10(14) . . ?
C125 C121 H121 126.0 . . ?
Co1 C122 H122 125.3 . . ?
C121 C122 Co1 70.34(14) . . ?
C121 C122 H122 125.8 . . ?
C121 C122 C123 108.3(2) . . ?
C123 C122 Co1 70.14(14) . . ?
C123 C122 H122 125.8 . . ?
Co1 C123 H123 125.2 . . ?
C122 C123 Co1 70.02(14) . . ?
C122 C123 H123 126.2 . . ?
C124 C123 Co1 70.20(14) . . ?
C124 C123 C122 107.7(2) . . ?
C124 C123 H123 126.2 . . ?
Co1 C124 H124 125.4 . . ?
C123 C124 Co1 70.07(13) . . ?
C123 C124 H124 125.9 . . ?
C125 C124 Co1 70.19(14) . . ?
C125 C124 C123 108.2(2) . . ?
C125 C124 H124 125.9 . . ?
Co1 C125 H125 125.3 . . ?
C121 C125 Co1 69.97(14) . . ?
C121 C125 H125 126.1 . . ?
C124 C125 Co1 70.20(14) . . ?
C124 C125 C121 107.8(2) . . ?
C124 C125 H125 126.1 . . ?
Si2 C40 H40 107.6 . . ?
C41 C40 Si2 114.5(6) . . ?
C41 C40 H40 107.6 . . ?
C42 C40 Si2 109.7(4) . . ?
C42 C40 H40 107.6 . . ?
C42 C40 C41 109.6(7) . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C40 C42 H42A 109.5 . . ?
C40 C42 H42B 109.5 . . ?
C40 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C61 C67 C69 110.1(5) . . ?
C68 C67 C61 109.1(5) . . ?
C68 C67 C69 109.2(6) . . ?
C68 C67 C70 108.3(6) . . ?
C70 C67 C61 112.6(6) . . ?
C70 C67 C69 107.4(5) . . ?
C67 C68 H68A 109.5 . . ?
C67 C68 H68B 109.5 . . ?
C67 C68 H68C 109.5 . . ?
H68A C68 H68B 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C67 C69 H69A 109.5 . . ?
C67 C69 H69B 109.5 . . ?
C67 C69 H69C 109.5 . . ?
H69A C69 H69B 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C67 C70 H70A 109.5 . . ?
C67 C70 H70B 109.5 . . ?
C67 C70 H70C 109.5 . . ?
H70A C70 H70B 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
O101 P101 Co1 119.56(9) . . ?
O101 P101 O104 109.09(13) . . ?
O101 P101 O105 107.5(4) . . ?
O104 P101 Co1 106.67(11) . . ?
O104 P101 O105 103.5(3) . . ?
O105 P101 Co1 109.4(3) . . ?
O102 P102 Co1 118.66(9) . . ?
O102 P102 O106 108.98(13) . . ?
O102 P102 O107 109.78(18) . . ?
O106 P102 Co1 113.98(11) . . ?
O106 P102 O107 96.08(17) . . ?
O107 P102 Co1 106.92(14) . . ?
O103 P103 Co1 118.65(9) . . ?
O103 P103 O108 109.77(15) . . ?
O103 P103 O109 110.2(4) . . ?
O108 P103 Co1 107.38(12) . . ?
O109 P103 Co1 111.9(4) . . ?
O109 P103 O108 96.5(3) . . ?
P101 O101 Y1 135.52(12) . . ?
P102 O102 Y1 135.11(12) . . ?
P103 O103 Y1 135.97(12) . . ?
C101 O104 P101 123.0(3) . . ?
C103 O105 P101 123.5(7) . . ?
C105 O106 P102 119.4(3) . . ?
C107 O107 P102 118.2(6) . . ?
C109 O108 P103 120.9(3) . . ?
C111 O109 P103 125.4(7) . . ?
O104 C101 H10A 108.9 . . ?
O104 C101 H10B 108.9 . . ?
O104 C101 C102 113.4(5) . . ?
H10A C101 H10B 107.7 . . ?
C102 C101 H10A 108.9 . . ?
C102 C101 H10B 108.9 . . ?
C101 C102 H10C 109.5 . . ?
C101 C102 H10D 109.5 . . ?
C101 C102 H10E 109.5 . . ?
H10C C102 H10D 109.5 . . ?
H10C C102 H10E 109.5 . . ?
H10D C102 H10E 109.5 . . ?
O105 C103 H10F 108.4 . . ?
O105 C103 H10G 108.4 . . ?
H10F C103 H10G 107.4 . . ?
C104 C103 O105 115.7(5) . . ?
C104 C103 H10F 108.4 . . ?
C104 C103 H10G 108.4 . . ?
C103 C104 H10H 109.5 . . ?
C103 C104 H10I 109.5 . . ?
C103 C104 H10J 109.5 . . ?
H10H C104 H10I 109.5 . . ?
H10H C104 H10J 109.5 . . ?
H10I C104 H10J 109.5 . . ?
O106 C105 H10K 108.2 . . ?
O106 C105 H10L 108.2 . . ?
O106 C105 C106 116.2(5) . . ?
H10K C105 H10L 107.4 . . ?
C106 C105 H10K 108.2 . . ?
C106 C105 H10L 108.2 . . ?
C105 C106 H10M 109.5 . . ?
C105 C106 H10N 109.5 . . ?
C105 C106 H10O 109.5 . . ?
H10M C106 H10N 109.5 . . ?
H10M C106 H10O 109.5 . . ?
H10N C106 H10O 109.5 . . ?
O107 C107 H10P 110.4 . . ?
O107 C107 H10Q 110.4 . . ?
O107 C107 C108 106.7(9) . . ?
H10P C107 H10Q 108.6 . . ?
C108 C107 H10P 110.4 . . ?
C108 C107 H10Q 110.4 . . ?
C107 C108 H10R 109.5 . . ?
C107 C108 H10S 109.5 . . ?
C107 C108 H10T 109.5 . . ?
H10R C108 H10S 109.5 . . ?
H10R C108 H10T 109.5 . . ?
H10S C108 H10T 109.5 . . ?
O108 C109 H10U 109.9 . . ?
O108 C109 H10V 109.9 . . ?
O108 C109 C110 108.9(6) . . ?
H10U C109 H10V 108.3 . . ?
C110 C109 H10U 109.9 . . ?
C110 C109 H10V 109.9 . . ?
C109 C110 H11A 109.5 . . ?
C109 C110 H11B 109.5 . . ?
C109 C110 H11C 109.5 . . ?
H11A C110 H11B 109.5 . . ?
H11A C110 H11C 109.5 . . ?
H11B C110 H11C 109.5 . . ?
O109 C111 H11D 106.2 . . ?
O109 C111 H11E 106.2 . . ?
O109 C111 C112 124.7(7) . . ?
H11D C111 H11E 106.4 . . ?
C112 C111 H11D 106.2 . . ?
C112 C111 H11E 106.2 . . ?
C111 C112 H11F 109.5 . . ?
C111 C112 H11G 109.5 . . ?
C111 C112 H11H 109.5 . . ?
H11F C112 H11G 109.5 . . ?
H11F C112 H11H 109.5 . . ?
H11G C112 H11H 109.5 . . ?
O201 P201 Co1 118.9(2) . . ?
O201 P201 O204 108.6(4) . . ?
O201 P201 O205 106.0(3) . . ?
O204 P201 Co1 104.0(4) . . ?
O205 P201 Co1 108.5(2) . . ?
O205 P201 O204 110.8(4) . . ?
O202 P202 Co1 120.0(2) . . ?
O202 P202 O206 107.3(8) . . ?
O202 P202 O207 107.9(3) . . ?
O206 P202 Co1 115.1(7) . . ?
O206 P202 O207 94.0(9) . . ?
O207 P202 Co1 109.3(2) . . ?
O203 P203 Co1 118.6(2) . . ?
O203 P203 O208 113.2(10) . . ?
O203 P203 O209 106.6(3) . . ?
O208 P203 Co1 104.1(9) . . ?
O208 P203 O209 98.3(10) . . ?
O209 P203 Co1 114.3(2) . . ?
P201 O201 Y1 133.4(3) . . ?
P202 O202 Y1 134.2(3) . . ?
P203 O203 Y1 133.6(3) . . ?
C201 O204 P201 109.9(15) . . ?
C203 O205 P201 125.6(5) . . ?
C205 O206 P202 141.3(15) . . ?
C207 O207 P202 121.7(6) . . ?
C209 O208 P203 123.0(18) . . ?
C211 O209 P203 117.8(10) . . ?
O204 C201 H20A 107.4 . . ?
O204 C201 H20B 107.4 . . ?
O204 C201 C202 120(2) . . ?
H20A C201 H20B 106.9 . . ?
C202 C201 H20A 107.4 . . ?
C202 C201 H20B 107.4 . . ?
C201 C202 H20C 109.5 . . ?
C201 C202 H20D 109.5 . . ?
C201 C202 H20E 109.5 . . ?
H20C C202 H20D 109.5 . . ?
H20C C202 H20E 109.5 . . ?
H20D C202 H20E 109.5 . . ?
O205 C203 H20F 109.0 . . ?
O205 C203 H20G 109.0 . . ?
O205 C203 C204 112.8(10) . . ?
H20F C203 H20G 107.8 . . ?
C204 C203 H20F 109.0 . . ?
C204 C203 H20G 109.0 . . ?
C203 C204 H20H 109.5 . . ?
C203 C204 H20I 109.5 . . ?
C203 C204 H20J 109.5 . . ?
H20H C204 H20I 109.5 . . ?
H20H C204 H20J 109.5 . . ?
H20I C204 H20J 109.5 . . ?
O206 C205 H20K 104.6 . . ?
O206 C205 H20L 104.6 . . ?
O206 C205 C206 130.8(16) . . ?
H20K C205 H20L 105.7 . . ?
C206 C205 H20K 104.6 . . ?
C206 C205 H20L 104.6 . . ?
C205 C206 H20M 109.5 . . ?
C205 C206 H20N 109.5 . . ?
C205 C206 H20O 109.5 . . ?
H20M C206 H20N 109.5 . . ?
H20M C206 H20O 109.5 . . ?
H20N C206 H20O 109.5 . . ?
O207 C207 H20P 110.9 . . ?
O207 C207 H20Q 110.9 . . ?
O207 C207 C208 104.2(12) . . ?
H20P C207 H20Q 108.9 . . ?
C208 C207 H20P 110.9 . . ?
C208 C207 H20Q 110.9 . . ?
C207 C208 H20R 109.5 . . ?
C207 C208 H20S 109.5 . . ?
C207 C208 H20T 109.5 . . ?
H20R C208 H20S 109.5 . . ?
H20R C208 H20T 109.5 . . ?
H20S C208 H20T 109.5 . . ?
O208 C209 H20U 108.2 . . ?
O208 C209 H20V 108.2 . . ?
O208 C209 C210 116.5(17) . . ?
H20U C209 H20V 107.3 . . ?
C210 C209 H20U 108.2 . . ?
C210 C209 H20V 108.2 . . ?
C209 C210 H21A 109.5 . . ?
C209 C210 H21B 109.5 . . ?
C209 C210 H21C 109.5 . . ?
H21A C210 H21B 109.5 . . ?
H21A C210 H21C 109.5 . . ?
H21B C210 H21C 109.5 . . ?
O209 C211 H21D 106.1 . . ?
O209 C211 H21E 106.1 . . ?
H21D C211 H21E 106.3 . . ?
C212 C211 O209 125.0(15) . . ?
C212 C211 H21D 106.1 . . ?
C212 C211 H21E 106.1 . . ?
C211 C212 H21F 109.5 . . ?
C211 C212 H21G 109.5 . . ?
C211 C212 H21H 109.5 . . ?
H21F C212 H21G 109.5 . . ?
H21F C212 H21H 109.5 . . ?
H21G C212 H21H 109.5 . . ?
Si2 C40B H40B 108.6 . . ?
C41B C40B Si2 105.6(9) . . ?
C41B C40B H40B 108.6 . . ?
C42B C40B Si2 114.7(10) . . ?
C42B C40B H40B 108.6 . . ?
C42B C40B C41B 110.7(12) . . ?
C40B C41B H41D 109.5 . . ?
C40B C41B H41E 109.5 . . ?
C40B C41B H41F 109.5 . . ?
H41D C41B H41E 109.5 . . ?
H41D C41B H41F 109.5 . . ?
H41E C41B H41F 109.5 . . ?
C40B C42B H42D 109.5 . . ?
C40B C42B H42E 109.5 . . ?
C40B C42B H42F 109.5 . . ?
H42D C42B H42E 109.5 . . ?
H42D C42B H42F 109.5 . . ?
H42E C42B H42F 109.5 . . ?
C61 C67B C69B 107.2(8) . . ?
C68B C67B C61 111.6(9) . . ?
C68B C67B C69B 108.7(9) . . ?
C68B C67B C70B 110.2(9) . . ?
C70B C67B C61 109.0(8) . . ?
C70B C67B C69B 110.2(9) . . ?
C67B C68B H68D 109.5 . . ?
C67B C68B H68E 109.5 . . ?
C67B C68B H68F 109.5 . . ?
H68D C68B H68E 109.5 . . ?
H68D C68B H68F 109.5 . . ?
H68E C68B H68F 109.5 . . ?
C67B C69B H69D 109.5 . . ?
C67B C69B H69E 109.5 . . ?
C67B C69B H69F 109.5 . . ?
H69D C69B H69E 109.5 . . ?
H69D C69B H69F 109.5 . . ?
H69E C69B H69F 109.5 . . ?
C67B C70B H70D 109.5 . . ?
C67B C70B H70E 109.5 . . ?
C67B C70B H70F 109.5 . . ?
H70D C70B H70E 109.5 . . ?
H70D C70B H70F 109.5 . . ?
H70E C70B H70F 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Y1 N1 C1 C2 153.98(16) . . . . ?
Y1 N1 C1 C20 -28.3(3) . . . . ?
Y1 N1 C4 C3 -153.37(16) . . . . ?
Y1 N1 C4 C5 28.7(3) . . . . ?
Y1 N2 C6 C5 -30.0(3) . . . . ?
Y1 N2 C6 C7 151.84(15) . . . . ?
Y1 N2 C9 C8 -152.12(15) . . . . ?
Y1 N2 C9 C10 31.9(3) . . . . ?
Y1 N3 C11 C10 -29.7(3) . . . . ?
Y1 N3 C11 C12 154.85(14) . . . . ?
Y1 N3 C14 C13 -155.23(14) . . . . ?
Y1 N3 C14 C15 28.7(3) . . . . ?
Y1 N4 C16 C15 -31.3(3) . . . . ?
Y1 N4 C16 C17 148.96(14) . . . . ?
Y1 N4 C19 C18 -149.64(14) . . . . ?
Y1 N4 C19 C20 34.0(3) . . . . ?
Co1 C121 C122 C123 -60.10(17) . . . . ?
Co1 C121 C125 C124 60.29(17) . . . . ?
Co1 C122 C123 C124 -60.39(17) . . . . ?
Co1 C123 C124 C125 -60.09(17) . . . . ?
Co1 C124 C125 C121 -60.15(17) . . . . ?
Co1 P101 O101 Y1 -19.3(2) . . . . ?
Co1 P101 O104 C101 -170.4(5) . . . . ?
Co1 P101 O105 C103 138.4(5) . . . . ?
Co1 P102 O102 Y1 -31.8(2) . . . . ?
Co1 P102 O106 C105 -83.0(3) . . . . ?
Co1 P102 O107 C107 160.8(7) . . . . ?
Co1 P103 O103 Y1 -22.3(2) . . . . ?
Co1 P103 O108 C109 -156.4(5) . . . . ?
Co1 P103 O109 C111 123.5(8) . . . . ?
Co1 P201 O201 Y1 29.0(5) . . . . ?
Co1 P201 O204 C201 -176.6(13) . . . . ?
Co1 P201 O205 C203 142.8(7) . . . . ?
Co1 P202 O202 Y1 29.4(5) . . . . ?
Co1 P202 O206 C205 -173(2) . . . . ?
Co1 P202 O207 C207 134.5(8) . . . . ?
Co1 P203 O203 Y1 38.3(5) . . . . ?
Co1 P203 O208 C209 -178(2) . . . . ?
Co1 P203 O209 C211 91.0(9) . . . . ?
N1 C1 C2 C3 1.1(3) . . . . ?
N1 C1 C20 C19 -9.3(4) . . . . ?
N1 C1 C20 C21 174.2(2) . . . . ?
N1 C4 C5 C6 3.8(4) . . . . ?
N1 C4 C5 C43 -179.1(2) . . . . ?
N2 C6 C7 C8 0.5(3) . . . . ?
N2 C9 C10 C11 4.8(4) . . . . ?
N2 C9 C10 C32 -178.9(2) . . . . ?
N3 C11 C12 C13 1.7(3) . . . . ?
N3 C14 C15 C16 1.8(4) . . . . ?
N3 C14 C15 C57 177.00(19) . . . . ?
N4 C16 C17 C18 0.6(2) . . . . ?
N4 C19 C20 C1 6.1(4) . . . . ?
N4 C19 C20 C21 -177.5(2) . . . . ?
C1 N1 C4 C3 0.7(3) . . . . ?
C1 N1 C4 C5 -177.3(2) . . . . ?
C1 C2 C3 C4 -0.6(3) . . . . ?
C2 C1 C20 C19 168.1(2) . . . . ?
C2 C1 C20 C21 -8.3(3) . . . . ?
C2 C3 C4 N1 0.0(3) . . . . ?
C2 C3 C4 C5 177.9(2) . . . . ?
C3 C4 C5 C6 -173.9(2) . . . . ?
C3 C4 C5 C43 3.2(3) . . . . ?
C4 N1 C1 C2 -1.1(3) . . . . ?
C4 N1 C1 C20 176.7(2) . . . . ?
C4 C5 C6 N2 -2.8(4) . . . . ?
C4 C5 C6 C7 175.0(2) . . . . ?
C4 C5 C43 C44 80.5(3) . . . . ?
C4 C5 C43 C48 -100.9(3) . . . . ?
C5 C6 C7 C8 -177.7(2) . . . . ?
C5 C43 C44 C45 178.2(2) . . . . ?
C5 C43 C48 C47 -177.7(2) . . . . ?
C6 N2 C9 C8 1.5(2) . . . . ?
C6 N2 C9 C10 -174.5(2) . . . . ?
C6 C5 C43 C44 -102.1(3) . . . . ?
C6 C5 C43 C48 76.5(3) . . . . ?
C6 C7 C8 C9 0.4(3) . . . . ?
C7 C8 C9 N2 -1.2(3) . . . . ?
C7 C8 C9 C10 174.9(2) . . . . ?
C8 C9 C10 C11 -170.7(2) . . . . ?
C8 C9 C10 C32 5.6(3) . . . . ?
C9 N2 C6 C5 176.9(2) . . . . ?
C9 N2 C6 C7 -1.2(2) . . . . ?
C9 C10 C11 N3 -6.2(4) . . . . ?
C9 C10 C11 C12 168.6(2) . . . . ?
C10 C11 C12 C13 -173.8(2) . . . . ?
C11 N3 C14 C13 1.1(2) . . . . ?
C11 N3 C14 C15 -175.0(2) . . . . ?
C11 C12 C13 C14 -0.9(2) . . . . ?
C12 C13 C14 N3 0.0(3) . . . . ?
C12 C13 C14 C15 176.0(2) . . . . ?
C13 C14 C15 C16 -173.6(2) . . . . ?
C13 C14 C15 C57 1.6(3) . . . . ?
C14 N3 C11 C10 173.8(2) . . . . ?
C14 N3 C11 C12 -1.6(2) . . . . ?
C14 C15 C16 N4 -0.4(4) . . . . ?
C14 C15 C16 C17 179.3(2) . . . . ?
C14 C15 C57 C58 71.9(3) . . . . ?
C14 C15 C57 C62 -111.0(2) . . . . ?
C15 C16 C17 C18 -179.1(2) . . . . ?
C15 C57 C58 C59 175.5(2) . . . . ?
C15 C57 C62 C61 -175.1(2) . . . . ?
C16 N4 C19 C18 1.8(2) . . . . ?
C16 N4 C19 C20 -174.6(2) . . . . ?
C16 C15 C57 C58 -112.4(2) . . . . ?
C16 C15 C57 C62 64.8(3) . . . . ?
C16 C17 C18 C19 0.5(2) . . . . ?
C17 C18 C19 N4 -1.4(3) . . . . ?
C17 C18 C19 C20 174.9(2) . . . . ?
C18 C19 C20 C1 -169.7(2) . . . . ?
C18 C19 C20 C21 6.7(3) . . . . ?
C19 N4 C16 C15 178.3(2) . . . . ?
C19 N4 C16 C17 -1.4(2) . . . . ?
C20 C1 C2 C3 -176.7(2) . . . . ?
C22 Si1 C23 C24 -38.5(3) . . . . ?
C22 Si1 C23 C25 -166.4(2) . . . . ?
C22 Si1 C26 C27 63.8(2) . . . . ?
C22 Si1 C26 C28 -168.3(2) . . . . ?
C22 Si1 C29 C30 -51.8(2) . . . . ?
C22 Si1 C29 C31 71.9(2) . . . . ?
C23 Si1 C26 C27 -53.5(2) . . . . ?
C23 Si1 C26 C28 74.5(2) . . . . ?
C23 Si1 C29 C30 64.4(2) . . . . ?
C23 Si1 C29 C31 -171.94(18) . . . . ?
C26 Si1 C23 C24 78.0(2) . . . . ?
C26 Si1 C23 C25 -49.9(2) . . . . ?
C26 Si1 C29 C30 -166.2(2) . . . . ?
C26 Si1 C29 C31 -42.6(2) . . . . ?
C29 Si1 C23 C24 -154.0(2) . . . . ?
C29 Si1 C23 C25 78.0(2) . . . . ?
C29 Si1 C26 C27 178.40(18) . . . . ?
C29 Si1 C26 C28 -53.7(2) . . . . ?
C32 C10 C11 N3 177.6(2) . . . . ?
C32 C10 C11 C12 -7.5(3) . . . . ?
C33 Si2 C37 C38 63.0(2) . . . . ?
C33 Si2 C37 C39 -61.1(2) . . . . ?
C33 Si2 C40 C41 147.5(7) . . . . ?
C33 Si2 C40 C42 23.8(6) . . . . ?
C34 Si2 C33 C32 25.3(11) . . . . ?
C34 Si2 C37 C38 -49.4(2) . . . . ?
C34 Si2 C37 C39 -173.5(2) . . . . ?
C34 Si2 C40 C41 -99.7(7) . . . . ?
C34 Si2 C40 C42 136.6(5) . . . . ?
C37 Si2 C33 C32 -90.4(10) . . . . ?
C37 Si2 C40 C41 21.9(8) . . . . ?
C37 Si2 C40 C42 -101.8(5) . . . . ?
C43 C5 C6 N2 -179.9(2) . . . . ?
C43 C5 C6 C7 -2.1(3) . . . . ?
C43 C44 C45 C46 -0.4(3) . . . . ?
C43 C44 C45 C49 -179.3(2) . . . . ?
C44 C43 C48 C47 0.9(3) . . . . ?
C44 C45 C46 C47 0.7(3) . . . . ?
C44 C45 C49 C50 -56.4(3) . . . . ?
C44 C45 C49 C51 -176.4(2) . . . . ?
C44 C45 C49 C52 63.7(3) . . . . ?
C45 C46 C47 C48 -0.2(3) . . . . ?
C45 C46 C47 C53 -179.5(2) . . . . ?
C46 C45 C49 C50 124.8(3) . . . . ?
C46 C45 C49 C51 4.8(3) . . . . ?
C46 C45 C49 C52 -115.1(3) . . . . ?
C46 C47 C48 C43 -0.6(3) . . . . ?
C46 C47 C53 C54 3.4(3) . . . . ?
C46 C47 C53 C55 -117.8(3) . . . . ?
C46 C47 C53 C56 123.1(2) . . . . ?
C48 C43 C44 C45 -0.4(4) . . . . ?
C48 C47 C53 C54 -175.9(2) . . . . ?
C48 C47 C53 C55 63.0(3) . . . . ?
C48 C47 C53 C56 -56.2(3) . . . . ?
C49 C45 C46 C47 179.5(2) . . . . ?
C53 C47 C48 C43 178.7(2) . . . . ?
C57 C15 C16 N4 -175.72(19) . . . . ?
C57 C15 C16 C17 3.9(3) . . . . ?
C57 C58 C59 C60 -0.3(3) . . . . ?
C57 C58 C59 C63 -178.2(2) . . . . ?
C58 C57 C62 C61 2.1(3) . . . . ?
C58 C59 C60 C61 1.9(3) . . . . ?
C58 C59 C63 C64 -133.8(2) . . . . ?
C58 C59 C63 C65 106.4(2) . . . . ?
C58 C59 C63 C66 -12.9(3) . . . . ?
C59 C60 C61 C62 -1.5(3) . . . . ?
C59 C60 C61 C67 -179.7(4) . . . . ?
C59 C60 C61 C67B 176.7(7) . . . . ?
C60 C59 C63 C64 48.3(3) . . . . ?
C60 C59 C63 C65 -71.5(3) . . . . ?
C60 C59 C63 C66 169.1(2) . . . . ?
C60 C61 C62 C57 -0.6(3) . . . . ?
C60 C61 C67 C68 -63.5(7) . . . . ?
C60 C61 C67 C69 56.3(6) . . . . ?
C60 C61 C67 C70 176.2(4) . . . . ?
C60 C61 C67B C68B 5.5(12) . . . . ?
C60 C61 C67B C69B 124.4(7) . . . . ?
C60 C61 C67B C70B -116.3(7) . . . . ?
C62 C57 C58 C59 -1.7(3) . . . . ?
C62 C61 C67 C68 118.4(5) . . . . ?
C62 C61 C67 C69 -121.8(5) . . . . ?
C62 C61 C67 C70 -2.0(8) . . . . ?
C62 C61 C67B C68B -176.3(6) . . . . ?
C62 C61 C67B C69B -57.4(10) . . . . ?
C62 C61 C67B C70B 61.8(10) . . . . ?
C63 C59 C60 C61 179.9(2) . . . . ?
C121 C122 C123 Co1 60.23(17) . . . . ?
C121 C122 C123 C124 -0.2(3) . . . . ?
C122 C121 C125 Co1 -60.26(17) . . . . ?
C122 C121 C125 C124 0.0(3) . . . . ?
C122 C123 C124 Co1 60.27(17) . . . . ?
C122 C123 C124 C125 0.2(3) . . . . ?
C123 C124 C125 Co1 60.01(17) . . . . ?
C123 C124 C125 C121 -0.1(3) . . . . ?
C125 C121 C122 Co1 60.18(17) . . . . ?
C125 C121 C122 C123 0.1(3) . . . . ?
C40 Si2 C33 C32 139.1(10) . . . . ?
C40 Si2 C37 C38 -169.2(3) . . . . ?
C40 Si2 C37 C39 66.6(3) . . . . ?
C67 C61 C62 C57 177.6(4) . . . . ?
P101 O104 C101 C102 164.1(5) . . . . ?
P101 O105 C103 C104 97.2(7) . . . . ?
P102 O106 C105 C106 -84.7(6) . . . . ?
P102 O107 C107 C108 159.2(7) . . . . ?
P103 O108 C109 C110 175.2(6) . . . . ?
P103 O109 C111 C112 179.3(7) . . . . ?
O101 P101 O104 C101 -40.0(5) . . . . ?
O101 P101 O105 C103 7.2(7) . . . . ?
O102 P102 O106 C105 52.1(3) . . . . ?
O102 P102 O107 C107 30.8(7) . . . . ?
O103 P103 O108 C109 -26.2(5) . . . . ?
O103 P103 O109 C111 -10.9(9) . . . . ?
O104 P101 O101 Y1 -142.39(19) . . . . ?
O104 P101 O105 C103 -108.2(6) . . . . ?
O105 P101 O101 Y1 106.0(3) . . . . ?
O105 P101 O104 C101 74.2(6) . . . . ?
O106 P102 O102 Y1 -164.43(17) . . . . ?
O106 P102 O107 C107 -81.9(7) . . . . ?
O107 P102 O102 Y1 91.5(2) . . . . ?
O107 P102 O106 C105 165.4(3) . . . . ?
O108 P103 O103 Y1 -146.2(2) . . . . ?
O108 P103 O109 C111 -124.8(8) . . . . ?
O109 P103 O103 Y1 108.6(4) . . . . ?
O109 P103 O108 C109 88.1(6) . . . . ?
P201 O204 C201 C202 -98(3) . . . . ?
P201 O205 C203 C204 -179.5(8) . . . . ?
P202 O206 C205 C206 123(2) . . . . ?
P202 O207 C207 C208 -165.2(12) . . . . ?
P203 O208 C209 C210 157(2) . . . . ?
P203 O209 C211 C212 85(2) . . . . ?
O201 P201 O204 C201 -49.0(13) . . . . ?
O201 P201 O205 C203 14.1(9) . . . . ?
O202 P202 O206 C205 -36(3) . . . . ?
O202 P202 O207 C207 2.5(9) . . . . ?
O203 P203 O208 C209 -48(3) . . . . ?
O203 P203 O209 C211 -42.0(9) . . . . ?
O204 P201 O201 Y1 -89.5(5) . . . . ?
O204 P201 O205 C203 -103.6(9) . . . . ?
O205 P201 O201 Y1 151.3(4) . . . . ?
O205 P201 O204 C201 67.1(13) . . . . ?
O206 P202 O202 Y1 -104.4(9) . . . . ?
O206 P202 O207 C207 -107.1(11) . . . . ?
O207 P202 O202 Y1 155.4(4) . . . . ?
O207 P202 O206 C205 74(3) . . . . ?
O208 P203 O203 Y1 -84.0(11) . . . . ?
O208 P203 O209 C211 -159.3(13) . . . . ?
O209 P203 O203 Y1 169.0(4) . . . . ?
O209 P203 O208 C209 64(3) . . . . ?
C40B Si2 C33 C32 161.2(11) . . . . ?
C40B Si2 C37 C38 172.7(4) . . . . ?
C40B Si2 C37 C39 48.6(4) . . . . ?
C67B C61 C62 C57 -178.9(6) . . . . ?

_olex2_diffrn_ambient_temperature_device 'Oxford Cryosystems'
_olex2_exptl_crystal_mounting_method 
'The crystal was mounted on a MITIGEN holder in perfluoroether oil'
_olex2_submission_original_sample_id Y-Por
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.244
_oxdiff_exptl_absorpt_empirical_full_min 0.826
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_P1Zn
_database_code_depnum_ccdc_archive 'CCDC 1565187'
_audit_update_record             
;
2017-07-27 deposited with the CCDC.
2018-10-18 downloaded from the CCDC.
;
_audit_creation_date             2016-08-26
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2016.07.26 svn.r3321 for OlexSys, GUI svn.r5206)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C72 H100 N4 O2 Si2 Zn, 2(C H4 O)'
_chemical_formula_sum            'C74 H108 N4 O4 Si2 Zn'
_chemical_formula_weight         1239.19
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C70 H113 N4 Zn Si2'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   8.05199(12)
_cell_length_b                   13.9466(2)
_cell_length_c                   31.9300(5)
_cell_angle_alpha                90
_cell_angle_beta                 90.6300(13)
_cell_angle_gamma                90
_cell_volume                     3585.47(9)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    27139
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.6500
_cell_measurement_theta_min      1.6680
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.424
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.77769
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'iridescent purple'
_exptl_crystal_colour_modifier   iridescent
_exptl_crystal_colour_primary    purple
_exptl_crystal_density_diffrn    1.148
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1340
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.07
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0296
_diffrn_reflns_av_unetI/netI     0.0161
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            48760
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.485
_diffrn_reflns_theta_min         2.846
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_detector_type            'Rigaku HG Saturn724+ (2x2 bin mode)'
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -85.00  52.00   0.50   25.00    --  -22.00  18.00 150.00  274
  2  ω    -66.00  68.00   0.50   25.00    --  -22.00  72.00 150.00  268
  3  ω    -78.00  22.00   0.50   25.00    --  -22.00 -72.00-120.00  200
  4  ω    -48.00  -4.00   0.50   25.00    --  -22.00  72.00  30.00   88
  5  ω    -66.00 -45.00   0.50   25.00    --  -22.00  72.00 -90.00   42
  6  ω    -66.00 -45.00   0.50   25.00    --  -22.00  72.00 -60.00   42
  7  ω   -100.00  22.00   0.50   25.00    --  -22.00 -72.00 -60.00  244
  8  ω    -78.00  22.00   0.50   25.00    --  -22.00 -72.00 120.00  200
  9  ω    -31.00  44.00   0.50   25.00    --  -22.00  72.00  60.00  150
;
_diffrn_measurement_device       'four-circle κ goniometer'
_diffrn_measurement_device_type  
'Rigaku FRE+ equipped with HF Varimax confocal mirrors and an AFC10 goniometer and HG Saturn 724+ detector'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support 'MiTeGen MicroLoop'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0787825000
_diffrn_orient_matrix_UB_12      -0.0089892000
_diffrn_orient_matrix_UB_13      -0.0089202000
_diffrn_orient_matrix_UB_21      0.0148640000
_diffrn_orient_matrix_UB_22      0.0500625000
_diffrn_orient_matrix_UB_23      -0.0012104000
_diffrn_orient_matrix_UB_31      0.0365210000
_diffrn_orient_matrix_UB_32      -0.0009657000
_diffrn_orient_matrix_UB_33      0.0203021000
_diffrn_radiation_collimation    0.2
_diffrn_radiation_monochromator  'Confocal mirrors, HF Varimax'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating Anode'
_diffrn_source_current           55.0
_diffrn_source_power             2.475
_diffrn_source_target            Mo
_diffrn_source_type              'Rigaku FRE+'
_diffrn_source_voltage           45.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7373
_reflns_number_total             8193
_reflns_odcompleteness_completeness 99.59
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.42
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_collection       'CrystalClear-SM Expert 3.1 b27 (Rigaku, 2013)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.338
_refine_diff_density_min         -0.408
_refine_diff_density_rms         0.089
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     403
_refine_ls_number_reflns         8193
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0629
_refine_ls_R_factor_gt           0.0575
_refine_ls_restrained_S_all      1.094
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1020P)²+2.7210P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1669
_refine_ls_wR_factor_ref         0.1710
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 O41-H41
 0.87 with sigma of 0.01
 C41-H41
 1.890436 with sigma of 0.02
 Zn1-H41
 3.021309 with sigma of 0.02
3.a Ternary CH refined with riding coordinates:
 C13(H13), C16(H16), C19(H19)
3.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C7(H7), C8(H8), C23(H23), C25(H25), C27(H27)
3.c Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C17(H17A,H17B,H17C), C18(H18A,H18B,
 H18C), C20(H20A,H20B,H20C), C21(H21A,H21B,H21C), C29(H29A,H29B,H29C), C30(H30A,
 H30B,H30C), C31(H31A,H31B,H31C), C33(H33A,H33B,H33C), C34(H34A,H34B,H34C),
 C35(H35A,H35B,H35C), C41(H41A,H41B,H41C), C51(H51A,H51B,H51C)
3.d Idealised tetrahedral OH refined as rotating group:
 O51(H51)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.5000 0.5000 0.5000 0.02546(13) Uani 1 2 d DS T P . .
Si1 Si 0.64164(7) 0.29333(4) 0.72595(2) 0.02525(15) Uani 1 1 d . . . . .
O41 O 0.7735(2) 0.56163(12) 0.49985(5) 0.0329(4) Uani 1 1 d D . . . .
H41 H 0.846(2) 0.5474(16) 0.5200(7) 0.049 Uiso 1 1 d DR . . . .
N1 N 0.3920(2) 0.62228(13) 0.47712(5) 0.0234(4) Uani 1 1 d . . . . .
N2 N 0.4547(2) 0.54670(13) 0.55955(5) 0.0232(3) Uani 1 1 d . . . . .
C1 C 0.3664(3) 0.64395(15) 0.43598(6) 0.0239(4) Uani 1 1 d . . . . .
C2 C 0.2728(3) 0.73073(16) 0.43211(7) 0.0261(4) Uani 1 1 d . . . . .
H2 H 0.2394 0.7612 0.4068 0.031 Uiso 1 1 calc R . . . .
C3 C 0.2409(3) 0.76106(16) 0.47124(7) 0.0254(4) Uani 1 1 d . . . . .
H3 H 0.1805 0.8168 0.4788 0.031 Uiso 1 1 calc R . . . .
C4 C 0.3161(3) 0.69275(15) 0.49950(7) 0.0240(4) Uani 1 1 d . . . . .
C5 C 0.3083(3) 0.69730(15) 0.54324(6) 0.0239(4) Uani 1 1 d . . . . .
C6 C 0.3748(3) 0.62883(15) 0.57084(6) 0.0240(4) Uani 1 1 d . . . . .
C7 C 0.3700(3) 0.63488(17) 0.61597(7) 0.0275(4) Uani 1 1 d . . . . .
H7 H 0.3216 0.6848 0.6320 0.033 Uiso 1 1 calc R . . . .
C8 C 0.4470(3) 0.55631(16) 0.63101(6) 0.0271(4) Uani 1 1 d . . . . .
H8 H 0.4640 0.5405 0.6597 0.032 Uiso 1 1 calc R . . . .
C9 C 0.4986(3) 0.50086(15) 0.59554(7) 0.0246(4) Uani 1 1 d . . . . .
C10 C 0.5810(3) 0.41268(16) 0.59787(6) 0.0249(4) Uani 1 1 d . . . . .
C11 C 0.6141(3) 0.37574(16) 0.63886(7) 0.0268(4) Uani 1 1 d . . . . .
C12 C 0.6397(3) 0.34492(16) 0.67348(7) 0.0285(4) Uani 1 1 d . . . . .
C13 C 0.8114(3) 0.20183(19) 0.73060(8) 0.0375(5) Uani 1 1 d . . . . .
H13 H 0.9100 0.2365 0.7424 0.045 Uiso 1 1 calc R . . . .
C14 C 0.8654(4) 0.1617(2) 0.68871(9) 0.0508(7) Uani 1 1 d . . . . .
H14A H 0.7727 0.1269 0.6757 0.076 Uiso 1 1 calc GR . . . .
H14B H 0.9592 0.1179 0.6930 0.076 Uiso 1 1 calc GR . . . .
H14C H 0.8992 0.2145 0.6704 0.076 Uiso 1 1 calc GR . . . .
C15 C 0.7722(5) 0.1216(2) 0.76184(11) 0.0586(9) Uani 1 1 d . . . . .
H15A H 0.7439 0.1498 0.7890 0.088 Uiso 1 1 calc GR . . . .
H15B H 0.8695 0.0800 0.7652 0.088 Uiso 1 1 calc GR . . . .
H15C H 0.6781 0.0838 0.7513 0.088 Uiso 1 1 calc GR . . . .
C16 C 0.6769(3) 0.3937(2) 0.76424(8) 0.0405(6) Uani 1 1 d . . . . .
H16 H 0.5802 0.4384 0.7617 0.049 Uiso 1 1 calc R . . . .
C17 C 0.8312(5) 0.4500(3) 0.75401(13) 0.0638(9) Uani 1 1 d . . . . .
H17A H 0.9270 0.4067 0.7535 0.096 Uiso 1 1 calc GR . . . .
H17B H 0.8496 0.4994 0.7754 0.096 Uiso 1 1 calc GR . . . .
H17C H 0.8173 0.4805 0.7265 0.096 Uiso 1 1 calc GR . . . .
C18 C 0.6838(4) 0.3583(3) 0.80893(9) 0.0599(9) Uani 1 1 d . . . . .
H18A H 0.7778 0.3143 0.8124 0.090 Uiso 1 1 calc GR . . . .
H18B H 0.5804 0.3247 0.8154 0.090 Uiso 1 1 calc GR . . . .
H18C H 0.6977 0.4130 0.8279 0.090 Uiso 1 1 calc GR . . . .
C19 C 0.4280(4) 0.2410(2) 0.73198(10) 0.0499(7) Uani 1 1 d . . . . .
H19 H 0.4220 0.2083 0.7598 0.060 Uiso 1 1 calc R . . . .
C20 C 0.2961(4) 0.3198(3) 0.73019(13) 0.0685(10) Uani 1 1 d . . . . .
H20A H 0.3194 0.3674 0.7521 0.103 Uiso 1 1 calc GR . . . .
H20B H 0.1863 0.2917 0.7347 0.103 Uiso 1 1 calc GR . . . .
H20C H 0.2983 0.3510 0.7027 0.103 Uiso 1 1 calc GR . . . .
C21 C 0.3945(5) 0.1661(3) 0.69723(14) 0.0706(11) Uani 1 1 d . . . . .
H21A H 0.3955 0.1978 0.6698 0.106 Uiso 1 1 calc GR . . . .
H21B H 0.2858 0.1364 0.7016 0.106 Uiso 1 1 calc GR . . . .
H21C H 0.4810 0.1167 0.6982 0.106 Uiso 1 1 calc GR . . . .
C22 C 0.2191(3) 0.78024(16) 0.56177(6) 0.0242(4) Uani 1 1 d . . . . .
C23 C 0.2762(3) 0.87278(16) 0.55633(7) 0.0258(4) Uani 1 1 d . . . . .
H23 H 0.3741 0.8834 0.5407 0.031 Uiso 1 1 calc R . . . .
C24 C 0.1931(3) 0.95063(16) 0.57332(7) 0.0278(4) Uani 1 1 d . . . . .
C25 C 0.0517(3) 0.93283(17) 0.59643(7) 0.0287(4) Uani 1 1 d . . . . .
H25 H -0.0054 0.9854 0.6085 0.034 Uiso 1 1 calc R . . . .
C26 C -0.0094(3) 0.84081(17) 0.60256(7) 0.0281(4) Uani 1 1 d . . . . .
C27 C 0.0756(3) 0.76503(16) 0.58472(7) 0.0265(4) Uani 1 1 d . . . . .
H27 H 0.0352 0.7016 0.5882 0.032 Uiso 1 1 calc R . . . .
C28 C 0.2609(4) 1.05176(17) 0.56645(8) 0.0372(6) Uani 1 1 d . . . . .
C29 C 0.1574(4) 1.12776(19) 0.58821(9) 0.0441(6) Uani 1 1 d . . . . .
H29A H 0.0423 1.1240 0.5781 0.066 Uiso 1 1 calc GR . . . .
H29B H 0.2025 1.1914 0.5820 0.066 Uiso 1 1 calc GR . . . .
H29C H 0.1607 1.1168 0.6185 0.066 Uiso 1 1 calc GR . . . .
C30 C 0.4377(4) 1.0570(2) 0.58391(12) 0.0550(8) Uani 1 1 d . . . . .
H30A H 0.4372 1.0420 0.6139 0.083 Uiso 1 1 calc GR . . . .
H30B H 0.4818 1.1217 0.5798 0.083 Uiso 1 1 calc GR . . . .
H30C H 0.5076 1.0106 0.5693 0.083 Uiso 1 1 calc GR . . . .
C31 C 0.2616(6) 1.0729(2) 0.51949(10) 0.0639(10) Uani 1 1 d . . . . .
H31A H 0.3248 1.0231 0.5050 0.096 Uiso 1 1 calc GR . . . .
H31B H 0.3132 1.1355 0.5146 0.096 Uiso 1 1 calc GR . . . .
H31C H 0.1472 1.0737 0.5087 0.096 Uiso 1 1 calc GR . . . .
C32 C -0.1695(3) 0.82317(19) 0.62678(8) 0.0340(5) Uani 1 1 d . . . . .
C33 C -0.2219(4) 0.9116(2) 0.65181(11) 0.0526(8) Uani 1 1 d . . . . .
H33A H -0.1309 0.9310 0.6706 0.079 Uiso 1 1 calc GR . . . .
H33B H -0.3202 0.8962 0.6683 0.079 Uiso 1 1 calc GR . . . .
H33C H -0.2481 0.9642 0.6325 0.079 Uiso 1 1 calc GR . . . .
C34 C -0.1488(4) 0.7407(3) 0.65730(11) 0.0540(8) Uani 1 1 d . . . . .
H34A H -0.1291 0.6813 0.6417 0.081 Uiso 1 1 calc GR . . . .
H34B H -0.2499 0.7340 0.6739 0.081 Uiso 1 1 calc GR . . . .
H34C H -0.0541 0.7534 0.6760 0.081 Uiso 1 1 calc GR . . . .
C35 C -0.3073(4) 0.8013(3) 0.59516(10) 0.0553(8) Uani 1 1 d . . . . .
H35A H -0.3143 0.8532 0.5746 0.083 Uiso 1 1 calc GR . . . .
H35B H -0.4133 0.7957 0.6097 0.083 Uiso 1 1 calc GR . . . .
H35C H -0.2828 0.7408 0.5808 0.083 Uiso 1 1 calc GR . . . .
C41 C 0.7943(4) 0.6603(2) 0.49200(10) 0.0462(6) Uani 1 1 d D . . . .
H41A H 0.7497 0.6757 0.4641 0.069 Uiso 1 1 calc GR . . . .
H41B H 0.9127 0.6763 0.4932 0.069 Uiso 1 1 calc GR . . . .
H41C H 0.7350 0.6974 0.5132 0.069 Uiso 1 1 calc GR . . . .
O51 O 1.0035(2) 0.51854(15) 0.55865(6) 0.0428(4) Uani 1 1 d . . . . .
H51 H 1.0683 0.4917 0.5419 0.064 Uiso 1 1 calc GR . . . .
C51 C 1.0128(4) 0.4717(3) 0.59788(10) 0.0499(7) Uani 1 1 d . . . . .
H51A H 1.0021 0.4024 0.5938 0.075 Uiso 1 1 calc GR . . . .
H51B H 0.9227 0.4945 0.6157 0.075 Uiso 1 1 calc GR . . . .
H51C H 1.1199 0.4859 0.6114 0.075 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn1 O41 2.3644(17) 3_666 ?
Zn1 O41 2.3644(17) . ?
Zn1 N1 2.0458(18) 3_666 ?
Zn1 N1 2.0457(18) . ?
Zn1 N2 2.0464(17) 3_666 ?
Zn1 N2 2.0465(17) . ?
Si1 C12 1.823(2) . ?
Si1 C13 1.875(3) . ?
Si1 C16 1.878(3) . ?
Si1 C19 1.881(3) . ?
O41 H41 0.888(9) . ?
O41 C41 1.408(3) . ?
N1 C1 1.361(3) . ?
N1 C4 1.364(3) . ?
N2 C6 1.364(3) . ?
N2 C9 1.358(3) . ?
C1 C2 1.431(3) . ?
C1 C10 1.407(3) 3_666 ?
C2 H2 0.9500 . ?
C2 C3 1.347(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.441(3) . ?
C4 C5 1.400(3) . ?
C5 C6 1.402(3) . ?
C5 C22 1.488(3) . ?
C6 C7 1.444(3) . ?
C7 H7 0.9500 . ?
C7 C8 1.345(3) . ?
C8 H8 0.9500 . ?
C8 C9 1.436(3) . ?
C9 C10 1.399(3) . ?
C10 C1 1.408(3) 3_666 ?
C10 C11 1.429(3) . ?
C11 C12 1.202(3) . ?
C13 H13 1.0000 . ?
C13 C14 1.518(4) . ?
C13 C15 1.534(4) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16 1.0000 . ?
C16 C17 1.509(5) . ?
C16 C18 1.510(4) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19 1.0000 . ?
C19 C20 1.530(5) . ?
C19 C21 1.545(5) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.382(3) . ?
C22 C27 1.392(3) . ?
C23 H23 0.9500 . ?
C23 C24 1.389(3) . ?
C24 C25 1.386(3) . ?
C24 C28 1.529(3) . ?
C25 H25 0.9500 . ?
C25 C26 1.389(3) . ?
C26 C27 1.385(3) . ?
C26 C32 1.531(3) . ?
C27 H27 0.9500 . ?
C28 C29 1.521(4) . ?
C28 C30 1.525(5) . ?
C28 C31 1.528(4) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 C33 1.531(4) . ?
C32 C34 1.516(4) . ?
C32 C35 1.522(4) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
O51 H51 0.8400 . ?
O51 C51 1.414(4) . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O41 Zn1 O41 180.0 3_666 . ?
N1 Zn1 O41 84.91(6) . 3_666 ?
N1 Zn1 O41 95.09(6) . . ?
N1 Zn1 O41 84.91(6) 3_666 . ?
N1 Zn1 O41 95.09(6) 3_666 3_666 ?
N1 Zn1 N1 180.00(10) . 3_666 ?
N1 Zn1 N2 90.74(7) . 3_666 ?
N1 Zn1 N2 90.74(7) 3_666 . ?
N1 Zn1 N2 89.26(7) . . ?
N1 Zn1 N2 89.26(7) 3_666 3_666 ?
N2 Zn1 O41 93.53(7) . . ?
N2 Zn1 O41 86.47(7) 3_666 . ?
N2 Zn1 O41 86.47(7) . 3_666 ?
N2 Zn1 O41 93.53(7) 3_666 3_666 ?
N2 Zn1 N2 180.00(9) 3_666 . ?
C12 Si1 C13 109.89(11) . . ?
C12 Si1 C16 107.68(12) . . ?
C12 Si1 C19 104.40(12) . . ?
C13 Si1 C16 110.56(12) . . ?
C13 Si1 C19 113.23(14) . . ?
C16 Si1 C19 110.77(14) . . ?
Zn1 O41 H41 121.6(14) . . ?
C41 O41 Zn1 117.89(16) . . ?
C41 O41 H41 105.6(13) . . ?
C1 N1 Zn1 126.07(14) . . ?
C1 N1 C4 106.37(17) . . ?
C4 N1 Zn1 127.22(14) . . ?
C6 N2 Zn1 127.02(14) . . ?
C9 N2 Zn1 126.08(15) . . ?
C9 N2 C6 106.90(17) . . ?
N1 C1 C2 110.18(18) . . ?
N1 C1 C10 124.95(19) . 3_666 ?
C10 C1 C2 124.83(19) 3_666 . ?
C1 C2 H2 126.5 . . ?
C3 C2 C1 106.93(19) . . ?
C3 C2 H2 126.5 . . ?
C2 C3 H3 126.6 . . ?
C2 C3 C4 106.88(19) . . ?
C4 C3 H3 126.6 . . ?
N1 C4 C3 109.63(18) . . ?
N1 C4 C5 125.49(19) . . ?
C5 C4 C3 124.9(2) . . ?
C4 C5 C6 125.1(2) . . ?
C4 C5 C22 117.32(19) . . ?
C6 C5 C22 117.55(18) . . ?
N2 C6 C5 125.73(19) . . ?
N2 C6 C7 109.30(18) . . ?
C5 C6 C7 125.0(2) . . ?
C6 C7 H7 126.5 . . ?
C8 C7 C6 106.93(19) . . ?
C8 C7 H7 126.5 . . ?
C7 C8 H8 126.5 . . ?
C7 C8 C9 107.06(19) . . ?
C9 C8 H8 126.5 . . ?
N2 C9 C8 109.81(18) . . ?
N2 C9 C10 125.3(2) . . ?
C10 C9 C8 124.9(2) . . ?
C1 C10 C11 116.51(19) 3_666 . ?
C9 C10 C1 126.8(2) . 3_666 ?
C9 C10 C11 116.69(19) . . ?
C12 C11 C10 179.1(2) . . ?
C11 C12 Si1 170.4(2) . . ?
Si1 C13 H13 106.0 . . ?
C14 C13 Si1 113.39(19) . . ?
C14 C13 H13 106.0 . . ?
C14 C13 C15 111.5(3) . . ?
C15 C13 Si1 113.1(2) . . ?
C15 C13 H13 106.0 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si1 C16 H16 107.5 . . ?
C17 C16 Si1 111.5(2) . . ?
C17 C16 H16 107.5 . . ?
C17 C16 C18 110.7(3) . . ?
C18 C16 Si1 112.0(2) . . ?
C18 C16 H16 107.5 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si1 C19 H19 108.7 . . ?
C20 C19 Si1 110.6(2) . . ?
C20 C19 H19 108.7 . . ?
C20 C19 C21 110.1(3) . . ?
C21 C19 Si1 110.0(2) . . ?
C21 C19 H19 108.7 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C23 C22 C5 120.91(19) . . ?
C23 C22 C27 119.2(2) . . ?
C27 C22 C5 119.9(2) . . ?
C22 C23 H23 119.4 . . ?
C22 C23 C24 121.3(2) . . ?
C24 C23 H23 119.4 . . ?
C23 C24 C28 119.4(2) . . ?
C25 C24 C23 118.0(2) . . ?
C25 C24 C28 122.6(2) . . ?
C24 C25 H25 118.8 . . ?
C24 C25 C26 122.3(2) . . ?
C26 C25 H25 118.8 . . ?
C25 C26 C32 121.4(2) . . ?
C27 C26 C25 118.0(2) . . ?
C27 C26 C32 120.5(2) . . ?
C22 C27 H27 119.4 . . ?
C26 C27 C22 121.1(2) . . ?
C26 C27 H27 119.4 . . ?
C29 C28 C24 112.3(2) . . ?
C29 C28 C30 108.3(2) . . ?
C29 C28 C31 108.8(2) . . ?
C30 C28 C24 109.0(2) . . ?
C30 C28 C31 109.6(3) . . ?
C31 C28 C24 108.9(2) . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C28 C31 H31A 109.5 . . ?
C28 C31 H31B 109.5 . . ?
C28 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C26 C32 C33 111.9(2) . . ?
C34 C32 C26 111.1(2) . . ?
C34 C32 C33 107.8(2) . . ?
C34 C32 C35 110.4(3) . . ?
C35 C32 C26 108.0(2) . . ?
C35 C32 C33 107.8(2) . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C32 C34 H34A 109.5 . . ?
C32 C34 H34B 109.5 . . ?
C32 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C32 C35 H35A 109.5 . . ?
C32 C35 H35B 109.5 . . ?
C32 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
O41 C41 H41A 109.5 . . ?
O41 C41 H41B 109.5 . . ?
O41 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C51 O51 H51 109.5 . . ?
O51 C51 H51A 109.5 . . ?
O51 C51 H51B 109.5 . . ?
O51 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O41 H41 O51 0.888(9) 1.804(9) 2.690(3) 177(3) .
O51 H51 O41 0.84 2.00 2.835(3) 175.4 3_766

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Zn1 N1 C1 C2 174.10(14) . . . . ?
Zn1 N1 C1 C10 -3.7(3) . . . 3_666 ?
Zn1 N1 C4 C3 -173.85(14) . . . . ?
Zn1 N1 C4 C5 4.7(3) . . . . ?
Zn1 N2 C6 C5 -0.1(3) . . . . ?
Zn1 N2 C6 C7 -179.73(14) . . . . ?
Zn1 N2 C9 C8 179.42(14) . . . . ?
Zn1 N2 C9 C10 -0.8(3) . . . . ?
N1 C1 C2 C3 -0.4(2) . . . . ?
N1 C4 C5 C6 -1.3(3) . . . . ?
N1 C4 C5 C22 -179.89(19) . . . . ?
N2 C6 C7 C8 0.0(3) . . . . ?
N2 C9 C10 C1 0.3(4) . . . 3_666 ?
N2 C9 C10 C11 -179.2(2) . . . . ?
C1 N1 C4 C3 -0.2(2) . . . . ?
C1 N1 C4 C5 178.4(2) . . . . ?
C1 C2 C3 C4 0.2(2) . . . . ?
C2 C3 C4 N1 0.0(2) . . . . ?
C2 C3 C4 C5 -178.6(2) . . . . ?
C3 C4 C5 C6 177.0(2) . . . . ?
C3 C4 C5 C22 -1.5(3) . . . . ?
C4 N1 C1 C2 0.4(2) . . . . ?
C4 N1 C1 C10 -177.4(2) . . . 3_666 ?
C4 C5 C6 N2 -1.1(3) . . . . ?
C4 C5 C6 C7 178.5(2) . . . . ?
C4 C5 C22 C23 -63.7(3) . . . . ?
C4 C5 C22 C27 115.9(2) . . . . ?
C5 C6 C7 C8 -179.7(2) . . . . ?
C5 C22 C23 C24 179.6(2) . . . . ?
C5 C22 C27 C26 179.57(19) . . . . ?
C6 N2 C9 C8 -0.9(2) . . . . ?
C6 N2 C9 C10 178.9(2) . . . . ?
C6 C5 C22 C23 117.6(2) . . . . ?
C6 C5 C22 C27 -62.8(3) . . . . ?
C6 C7 C8 C9 -0.5(2) . . . . ?
C7 C8 C9 N2 0.9(3) . . . . ?
C7 C8 C9 C10 -178.9(2) . . . . ?
C8 C9 C10 C1 179.9(2) . . . 3_666 ?
C8 C9 C10 C11 0.5(3) . . . . ?
C9 N2 C6 C5 -179.8(2) . . . . ?
C9 N2 C6 C7 0.5(2) . . . . ?
C10 C1 C2 C3 177.4(2) 3_666 . . . ?
C12 Si1 C13 C14 -22.1(3) . . . . ?
C12 Si1 C13 C15 -150.4(2) . . . . ?
C12 Si1 C16 C17 -54.4(2) . . . . ?
C12 Si1 C16 C18 -179.0(2) . . . . ?
C12 Si1 C19 C20 -63.5(3) . . . . ?
C12 Si1 C19 C21 58.3(3) . . . . ?
C13 Si1 C16 C17 65.7(3) . . . . ?
C13 Si1 C16 C18 -58.9(2) . . . . ?
C13 Si1 C19 C20 177.0(2) . . . . ?
C13 Si1 C19 C21 -61.2(3) . . . . ?
C16 Si1 C13 C14 -140.8(2) . . . . ?
C16 Si1 C13 C15 90.9(3) . . . . ?
C16 Si1 C19 C20 52.2(3) . . . . ?
C16 Si1 C19 C21 174.0(2) . . . . ?
C19 Si1 C13 C14 94.2(2) . . . . ?
C19 Si1 C13 C15 -34.1(3) . . . . ?
C19 Si1 C16 C17 -167.9(2) . . . . ?
C19 Si1 C16 C18 67.5(2) . . . . ?
C22 C5 C6 N2 177.42(19) . . . . ?
C22 C5 C6 C7 -3.0(3) . . . . ?
C22 C23 C24 C25 0.8(3) . . . . ?
C22 C23 C24 C28 -180.0(2) . . . . ?
C23 C22 C27 C26 -0.8(3) . . . . ?
C23 C24 C25 C26 -0.8(3) . . . . ?
C23 C24 C28 C29 -178.4(2) . . . . ?
C23 C24 C28 C30 -58.4(3) . . . . ?
C23 C24 C28 C31 61.1(3) . . . . ?
C24 C25 C26 C27 0.0(3) . . . . ?
C24 C25 C26 C32 -177.6(2) . . . . ?
C25 C24 C28 C29 0.8(3) . . . . ?
C25 C24 C28 C30 120.8(3) . . . . ?
C25 C24 C28 C31 -119.7(3) . . . . ?
C25 C26 C27 C22 0.8(3) . . . . ?
C25 C26 C32 C33 -15.0(3) . . . . ?
C25 C26 C32 C34 -135.5(3) . . . . ?
C25 C26 C32 C35 103.4(3) . . . . ?
C27 C22 C23 C24 0.0(3) . . . . ?
C27 C26 C32 C33 167.4(2) . . . . ?
C27 C26 C32 C34 46.9(3) . . . . ?
C27 C26 C32 C35 -74.2(3) . . . . ?
C28 C24 C25 C26 180.0(2) . . . . ?
C32 C26 C27 C22 178.5(2) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_diffrn_ambient_temperature_device 'Oxford Cryosystems'
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.234
_oxdiff_exptl_absorpt_empirical_full_min 0.682
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_P1dashDy
_database_code_depnum_ccdc_archive 'CCDC 1565185'
_audit_update_record             
;
2017-07-27 deposited with the CCDC.
2018-10-18 downloaded from the CCDC.
;
_audit_creation_date             2016-09-08
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2016.08.25 svn.r3337 for OlexSys, GUI svn.r5221)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '1(C78 H107 Co Dy N4 O9 P3 Si)'
_chemical_formula_sum            'C78 H107 Co Dy N4 O9 P3 Si'
_chemical_formula_weight         1587.10
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C78 H107 Co Dy N4 O9 P3 Si'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   19.34446(16)
_cell_length_b                   39.8242(4)
_cell_length_c                   20.5371(2)
_cell_angle_alpha                90
_cell_angle_beta                 90.4603(9)
_cell_angle_gamma                90
_cell_volume                     15820.8(3)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    69644
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.5390
_cell_measurement_theta_min      1.7780
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.279
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.81540
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'iridescent blue'
_exptl_crystal_colour_modifier   iridescent
_exptl_crystal_colour_primary    blue
_exptl_crystal_density_diffrn    1.333
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       'Cut Blade'
_exptl_crystal_F_000             6616
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.035
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0618
_diffrn_reflns_av_unetI/netI     0.0503
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       51
_diffrn_reflns_limit_k_min       -50
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            163836
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.483
_diffrn_reflns_theta_min         1.468
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_detector_type            'Rigaku HG Saturn724+ (2x2 bin mode)'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -104.00   2.00   0.50   30.00    --  -22.00 -72.00  30.00  212
  2  ω    -66.00  31.00   0.50   30.00    --  -22.00  72.00-180.00  194
  3  ω   -100.00 -14.00   0.50   30.00    --  -22.00  18.00-180.00  172
  4  ω    -87.00  68.00   0.50   30.00    --  -22.00   0.00  30.00  310
  5  ω   -100.00   9.00   0.50   30.00    --  -22.00 -72.00  60.00  218
;
_diffrn_measurement_device       'four-circle κ goniometer'
_diffrn_measurement_device_type  
'Rigaku FRE+ equipped with HF Varimax confocal mirrors and an AFC10 goniometer and HG Saturn 724+ detector'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support 'MiTeGen MicroLoop'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0086486000
_diffrn_orient_matrix_UB_12      -0.0120809000
_diffrn_orient_matrix_UB_13      -0.0241610000
_diffrn_orient_matrix_UB_21      0.0320759000
_diffrn_orient_matrix_UB_22      0.0029100000
_diffrn_orient_matrix_UB_23      -0.0154969000
_diffrn_orient_matrix_UB_31      0.0154839000
_diffrn_orient_matrix_UB_32      -0.0127630000
_diffrn_orient_matrix_UB_33      0.0192271000
_diffrn_radiation_collimation    0.2
_diffrn_radiation_monochromator  'Confocal mirrors, HF Varimax'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating Anode'
_diffrn_source_current           55.0
_diffrn_source_power             2.475
_diffrn_source_target            Mo
_diffrn_source_type              'Rigaku FRE+'
_diffrn_source_voltage           45.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                27568
_reflns_number_total             36158
_reflns_odcompleteness_completeness 99.61
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.42
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection       'CrystalClear-SM Expert 3.1 b27 (Rigaku, 2013)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.199
_refine_diff_density_min         -0.956
_refine_diff_density_rms         0.100
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2201
_refine_ls_number_reflns         36158
_refine_ls_number_restraints     2414
_refine_ls_R_factor_all          0.0830
_refine_ls_R_factor_gt           0.0588
_refine_ls_restrained_S_all      1.060
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0430P)²+55.1090P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1289
_refine_ls_wR_factor_ref         0.1387
_refine_special_details          
'There is disorder in one of the cobalt parts of the complex, along with a few t-butyl and i-propyl groups. As such both geometrical (SADI, SAME) and displacement (RIGU) restraints have been employed, along with a few dispalcement constraints (EADP) when atoms from different components were overlapping. The sample is also a merohedral twin (matrix -1 0 0 0 -1 0 0 0 1) at 3.85percent.'
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.9615(5) 0.0385(5)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3. Restrained distances
 Si1-C29 \\sim Si1-C29A
 with sigma of 0.02
 C48-C52 \\sim C48-C52A
 with sigma of 0.02
 Si81-C106 \\sim Si81-C206
 with sigma of 0.02
 C128-C132 \\sim C128-C232
 with sigma of 0.02
4. Uiso/Uaniso restraints and constraints
Uanis(O89) = Uanis(O84B)
Uanis(O86) = Uanis(O87B)
5. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Same fragment restrains
{Co2, P81, P82, P83, O81, O82, O83, O84, O85, O86, O87, O88, O89, C142, C143,
C144, C145, C146, C147, C148, C149, C150, C151, C152, C153} sigma for 1-2:
0.02, 1-3: 0.04
as
{Co3, P81B, P82B, P83B, O81B, O82B, O83B, O84B, O85B, O86B, O87B, O88B, O89B,
C242, C243, C244, C245, C246, C247, C248, C249, C250, C251, C252, C253}
{C154, C155, C156, C157, C158} sigma for 1-2: 0.01, 1-3: 0.04
as
{C254, C255, C256, C257, C258}
{C29, C30, C31} sigma for 1-2: 0.02, 1-3: 0.04
as
{C29A, C30A, C31A}
{C52, C53, C54, C55} sigma for 1-2: 0.02, 1-3: 0.04
as
{C52A, C53A, C54A, C55A}
{C132, C133, C134, C135} sigma for 1-2: 0.02, 1-3: 0.04
as
{C232, C233, C234, C235}
{C106, C107, C108} sigma for 1-2: 0.02, 1-3: 0.04
as
{C206, C207, C208}
7. Others
 Sof(Co3)=Sof(P81B)=Sof(P82B)=Sof(P83B)=Sof(O81B)=Sof(O82B)=Sof(O83B)=
 Sof(O84B)=Sof(O85B)=Sof(O86B)=Sof(O87B)=Sof(O88B)=Sof(O89B)=Sof(C242)=
 Sof(H24A)=Sof(H24B)=Sof(C243)=Sof(H24C)=Sof(H24D)=Sof(H24E)=Sof(C244)=
 Sof(H24F)=Sof(H24G)=Sof(C245)=Sof(H24H)=Sof(H24I)=Sof(H24J)=Sof(C246)=
 Sof(H24K)=Sof(H24L)=Sof(C247)=Sof(H24M)=Sof(H24N)=Sof(H24O)=Sof(C248)=
 Sof(H24P)=Sof(H24Q)=Sof(C249)=Sof(H24R)=Sof(H24S)=Sof(H24T)=Sof(C250)=
 Sof(H25A)=Sof(H25B)=Sof(C251)=Sof(H25C)=Sof(H25D)=Sof(H25E)=Sof(C252)=
 Sof(H25F)=Sof(H25G)=Sof(C253)=Sof(H25H)=Sof(H25I)=Sof(H25J)=Sof(C254)=
 Sof(H254)=Sof(C255)=Sof(H255)=Sof(C256)=Sof(H256)=Sof(C257)=Sof(H257)=
 Sof(C258)=Sof(H258)=1-FVAR(1)
 Sof(Co2)=Sof(P81)=Sof(P82)=Sof(P83)=Sof(O81)=Sof(O82)=Sof(O83)=Sof(O84)=
 Sof(O85)=Sof(O86)=Sof(O87)=Sof(O88)=Sof(O89)=Sof(C142)=Sof(H14A)=Sof(H14B)=
 Sof(C143)=Sof(H14C)=Sof(H14D)=Sof(H14E)=Sof(C144)=Sof(H14F)=Sof(H14G)=
 Sof(C145)=Sof(H14H)=Sof(H14I)=Sof(H14J)=Sof(C146)=Sof(H14K)=Sof(H14L)=
 Sof(C147)=Sof(H14M)=Sof(H14N)=Sof(H14O)=Sof(C148)=Sof(H14P)=Sof(H14Q)=
 Sof(C149)=Sof(H14R)=Sof(H14S)=Sof(H14T)=Sof(C150)=Sof(H15A)=Sof(H15B)=
 Sof(C151)=Sof(H15C)=Sof(H15D)=Sof(H15E)=Sof(C152)=Sof(H15F)=Sof(H15G)=
 Sof(C153)=Sof(H15H)=Sof(H15I)=Sof(H15J)=Sof(C154)=Sof(H154)=Sof(C155)=
 Sof(H155)=Sof(C156)=Sof(H156)=Sof(C157)=Sof(H157)=Sof(C158)=Sof(H158)=FVAR(1)
 Sof(C29A)=Sof(H29A)=Sof(C30A)=Sof(H30D)=Sof(H30E)=Sof(H30F)=Sof(C31A)=
 Sof(H31D)=Sof(H31E)=Sof(H31F)=1-FVAR(2)
 Sof(C29)=Sof(H29)=Sof(C30)=Sof(H30A)=Sof(H30B)=Sof(H30C)=Sof(C31)=Sof(H31A)=
 Sof(H31B)=Sof(H31C)=FVAR(2)
 Sof(C52A)=Sof(C53A)=Sof(H53D)=Sof(H53E)=Sof(H53F)=Sof(C54A)=Sof(H54D)=
 Sof(H54E)=Sof(H54F)=Sof(C55A)=Sof(H55D)=Sof(H55E)=Sof(H55F)=1-FVAR(3)
 Sof(C52)=Sof(C53)=Sof(H53A)=Sof(H53B)=Sof(H53C)=Sof(C54)=Sof(H54A)=Sof(H54B)=
 Sof(H54C)=Sof(C55)=Sof(H55A)=Sof(H55B)=Sof(H55C)=FVAR(3)
 Sof(C232)=Sof(C233)=Sof(H23A)=Sof(H23B)=Sof(H23C)=Sof(C234)=Sof(H23D)=
 Sof(H23E)=Sof(H23F)=Sof(C235)=Sof(H23G)=Sof(H23H)=Sof(H23I)=1-FVAR(4)
 Sof(C132)=Sof(C133)=Sof(H13A)=Sof(H13B)=Sof(H13C)=Sof(C134)=Sof(H13D)=
 Sof(H13E)=Sof(H13F)=Sof(C135)=Sof(H13G)=Sof(H13H)=Sof(H13I)=FVAR(4)
 Sof(C206)=Sof(H206)=Sof(C207)=Sof(H20A)=Sof(H20B)=Sof(H20C)=Sof(C208)=
 Sof(H20D)=Sof(H20E)=Sof(H20F)=1-FVAR(5)
 Sof(C106)=Sof(H106)=Sof(C107)=Sof(H10G)=Sof(H10H)=Sof(H10I)=Sof(C108)=
 Sof(H10J)=Sof(H10K)=Sof(H10L)=FVAR(5)
8.a Ternary CH refined with riding coordinates:
 C103(H103), C106(H106), C109(H109), C23(H23), C26(H26), C29(H29), C29A(H29A),
 C206(H206)
8.b Secondary CH2 refined with riding coordinates:
 C142(H14A,H14B), C144(H14F,H14G), C146(H14K,H14L), C148(H14P,H14Q), C150(H15A,
 H15B), C152(H15F,H15G), C242(H24A,H24B), C244(H24F,H24G), C246(H24K,H24L),
 C248(H24P,H24Q), C250(H25A,H25B), C252(H25F,H25G), C62(H62A,H62B), C64(H64A,
 H64B), C66(H66A,H66B), C68(H68A,H68B), C70(H70A,H70B), C72(H72A,H72B)
8.c Aromatic/amide H refined with riding coordinates:
 C154(H154), C155(H155), C156(H156), C157(H157), C158(H158), C82(H82),
 C83(H83), C87(H87), C88(H88), C92(H92), C93(H93), C97(H97), C98(H98),
 C113(H113), C115(H115), C117(H117), C127(H127), C129(H129), C131(H131),
 C254(H254), C255(H255), C256(H256), C257(H257), C258(H258), C2(H2), C3(H3),
 C7(H7), C8(H8), C12(H12), C13(H13), C17(H17), C18(H18), C33(H33), C35(H35),
 C37(H37), C47(H47), C49(H49), C51(H51), C74(H74), C75(H75), C76(H76), C77(H77),
  C78(H78)
8.d Idealised Me refined as rotating group:
 C143(H14C,H14D,H14E), C145(H14H,H14I,H14J), C147(H14M,H14N,H14O), C149(H14R,
 H14S,H14T), C151(H15C,H15D,H15E), C153(H15H,H15I,H15J), C104(H10A,H10B,H10C),
 C105(H10D,H10E,H10F), C107(H10G,H10H,H10I), C108(H10J,H10K,H10L), C110(H11A,
 H11B,H11C), C111(H11D,H11E,H11F), C119(H11G,H11H,H11I), C120(H12A,H12B,H12C),
 C121(H12D,H12E,H12F), C123(H12G,H12H,H12I), C124(H12J,H12K,H12L), C125(H12M,
 H12N,H12O), C133(H13A,H13B,H13C), C134(H13D,H13E,H13F), C135(H13G,H13H,H13I),
 C137(H13J,H13K,H13L), C138(H13M,H13N,H13O), C139(H13P,H13Q,H13R), C243(H24C,
 H24D,H24E), C245(H24H,H24I,H24J), C247(H24M,H24N,H24O), C249(H24R,H24S,H24T),
 C251(H25C,H25D,H25E), C253(H25H,H25I,H25J), C24(H24U,H24V,H24W), C25(H25K,H25L,
 H25M), C27(H27A,H27B,H27C), C28(H28A,H28B,H28C), C30(H30A,H30B,H30C), C31(H31A,
 H31B,H31C), C39(H39A,H39B,H39C), C40(H40A,H40B,H40C), C41(H41A,H41B,H41C),
 C43(H43A,H43B,H43C), C44(H44A,H44B,H44C), C45(H45A,H45B,H45C), C53(H53A,H53B,
 H53C), C54(H54A,H54B,H54C), C55(H55A,H55B,H55C), C57(H57A,H57B,H57C), C58(H58A,
 H58B,H58C), C59(H59A,H59B,H59C), C63(H63A,H63B,H63C), C65(H65A,H65B,H65C),
 C67(H67A,H67B,H67C), C69(H69A,H69B,H69C), C71(H71A,H71B,H71C), C73(H73A,H73B,
 H73C), C30A(H30D,H30E,H30F), C31A(H31D,H31E,H31F), C53A(H53D,H53E,H53F),
 C54A(H54D,H54E,H54F), C55A(H55D,H55E,H55F), C233(H23A,H23B,H23C), C234(H23D,
 H23E,H23F), C235(H23G,H23H,H23I), C207(H20A,H20B,H20C), C208(H20D,H20E,H20F)
8.e :
 C141(H141), C61(H61)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy2 Dy 0.64392(2) 0.65295(2) 0.72792(2) 0.02629(6) Uani 1 1 d . U . . .
Co2 Co 0.85273(6) 0.64569(4) 0.67496(7) 0.0370(3) Uani 0.725(2) 1 d D U P A 1
P81 P 0.78732(10) 0.60303(5) 0.69299(10) 0.0362(5) Uani 0.725(2) 1 d D U P A 1
P82 P 0.81529(9) 0.67319(5) 0.76003(10) 0.0315(4) Uani 0.725(2) 1 d D U P A 1
P83 P 0.77462(10) 0.66784(6) 0.61277(10) 0.0376(5) Uani 0.725(2) 1 d D U P A 1
O81 O 0.7205(2) 0.60917(11) 0.7272(3) 0.0344(11) Uani 0.725(2) 1 d D U P A 1
O82 O 0.7391(2) 0.67846(12) 0.7685(3) 0.0353(11) Uani 0.725(2) 1 d D U P A 1
O83 O 0.6999(2) 0.66562(13) 0.6328(3) 0.0386(12) Uani 0.725(2) 1 d D U P A 1
O84 O 0.7724(4) 0.58444(17) 0.6238(4) 0.0458(15) Uani 0.725(2) 1 d D U P A 1
O85 O 0.8255(3) 0.57269(13) 0.7296(3) 0.0459(13) Uani 0.725(2) 1 d D U P A 1
O86 O 0.8450(3) 0.6550(2) 0.8242(4) 0.0493(16) Uani 0.725(2) 1 d D U P A 1
O87 O 0.8514(3) 0.70959(13) 0.7660(3) 0.0423(13) Uani 0.725(2) 1 d D U P A 1
O88 O 0.7971(3) 0.70685(14) 0.6047(3) 0.0480(14) Uani 0.725(2) 1 d D U P A 1
O89 O 0.7784(6) 0.6540(3) 0.5385(4) 0.0540(19) Uani 0.725(2) 1 d D U P A 1
C142 C 0.7269(6) 0.5548(3) 0.6246(5) 0.057(3) Uani 0.725(2) 1 d D U P A 1
H14A H 0.7515 0.5356 0.6450 0.068 Uiso 0.725(2) 1 calc R . P A 1
H14B H 0.6853 0.5596 0.6507 0.068 Uiso 0.725(2) 1 calc R . P A 1
C143 C 0.7064(8) 0.5460(4) 0.5579(6) 0.085(4) Uani 0.725(2) 1 d D U P A 1
H14C H 0.7474 0.5395 0.5332 0.127 Uiso 0.725(2) 1 calc GR . P A 1
H14D H 0.6844 0.5655 0.5371 0.127 Uiso 0.725(2) 1 calc GR . P A 1
H14E H 0.6737 0.5273 0.5588 0.127 Uiso 0.725(2) 1 calc GR . P A 1
C144 C 0.8331(7) 0.5730(2) 0.7966(5) 0.048(3) Uani 0.725(2) 1 d D U P A 1
H14F H 0.7876 0.5764 0.8174 0.058 Uiso 0.725(2) 1 calc R . P A 1
H14G H 0.8640 0.5916 0.8100 0.058 Uiso 0.725(2) 1 calc R . P A 1
C145 C 0.8643(7) 0.5390(3) 0.8184(7) 0.060(3) Uani 0.725(2) 1 d D U P A 1
H14H H 0.9083 0.5354 0.7961 0.090 Uiso 0.725(2) 1 calc GR . P A 1
H14I H 0.8321 0.5209 0.8072 0.090 Uiso 0.725(2) 1 calc GR . P A 1
H14J H 0.8723 0.5393 0.8655 0.090 Uiso 0.725(2) 1 calc GR . P A 1
C146 C 0.8295(12) 0.6684(4) 0.8885(6) 0.056(4) Uani 0.725(2) 1 d D U P A 1
H14K H 0.8684 0.6825 0.9040 0.068 Uiso 0.725(2) 1 calc R . P A 1
H14L H 0.7876 0.6826 0.8861 0.068 Uiso 0.725(2) 1 calc R . P A 1
C147 C 0.8190(9) 0.6421(4) 0.9322(6) 0.063(3) Uani 0.725(2) 1 d D U P A 1
H14M H 0.7804 0.6282 0.9168 0.095 Uiso 0.725(2) 1 calc GR . P A 1
H14N H 0.8081 0.6513 0.9752 0.095 Uiso 0.725(2) 1 calc GR . P A 1
H14O H 0.8609 0.6284 0.9352 0.095 Uiso 0.725(2) 1 calc GR . P A 1
C148 C 0.8145(5) 0.7406(2) 0.7545(5) 0.051(2) Uani 0.725(2) 1 d D U P A 1
H14P H 0.7798 0.7373 0.7194 0.061 Uiso 0.725(2) 1 calc R . P A 1
H14Q H 0.8473 0.7581 0.7403 0.061 Uiso 0.725(2) 1 calc R . P A 1
C149 C 0.7786(6) 0.7519(3) 0.8161(7) 0.055(3) Uani 0.725(2) 1 d D U P A 1
H14R H 0.7564 0.7737 0.8085 0.083 Uiso 0.725(2) 1 calc GR . P A 1
H14S H 0.8127 0.7540 0.8514 0.083 Uiso 0.725(2) 1 calc GR . P A 1
H14T H 0.7436 0.7353 0.8282 0.083 Uiso 0.725(2) 1 calc GR . P A 1
C150 C 0.7542(7) 0.7287(3) 0.5652(6) 0.066(3) Uani 0.725(2) 1 d D U P A 1
H15A H 0.7126 0.7355 0.5896 0.079 Uiso 0.725(2) 1 calc R . P A 1
H15B H 0.7392 0.7169 0.5251 0.079 Uiso 0.725(2) 1 calc R . P A 1
C151 C 0.7957(9) 0.7586(4) 0.5484(10) 0.089(6) Uani 0.725(2) 1 d D U P A 1
H15C H 0.7762 0.7693 0.5094 0.133 Uiso 0.725(2) 1 calc GR . P A 1
H15D H 0.8435 0.7517 0.5399 0.133 Uiso 0.725(2) 1 calc GR . P A 1
H15E H 0.7951 0.7745 0.5847 0.133 Uiso 0.725(2) 1 calc GR . P A 1
C152 C 0.7267(8) 0.6348(3) 0.5068(6) 0.057(3) Uani 0.725(2) 1 d D U P A 1
H15F H 0.6933 0.6268 0.5396 0.068 Uiso 0.725(2) 1 calc R . P A 1
H15G H 0.7483 0.6149 0.4867 0.068 Uiso 0.725(2) 1 calc R . P A 1
C153 C 0.6892(6) 0.6535(3) 0.4565(6) 0.073(3) Uani 0.725(2) 1 d D U P A 1
H15H H 0.7217 0.6614 0.4235 0.110 Uiso 0.725(2) 1 calc GR . P A 1
H15I H 0.6660 0.6728 0.4762 0.110 Uiso 0.725(2) 1 calc GR . P A 1
H15J H 0.6546 0.6388 0.4360 0.110 Uiso 0.725(2) 1 calc GR . P A 1
C154 C 0.9269(4) 0.6183(3) 0.6269(5) 0.054(2) Uani 0.725(2) 1 d D U P A 1
H154 H 0.9185 0.5982 0.6031 0.065 Uiso 0.725(2) 1 calc R . P A 1
C155 C 0.9432(4) 0.6200(2) 0.6933(5) 0.0520(19) Uani 0.725(2) 1 d D U P A 1
H155 H 0.9480 0.6015 0.7221 0.062 Uiso 0.725(2) 1 calc R . P A 1
C156 C 0.9513(7) 0.6540(3) 0.7095(5) 0.052(2) Uani 0.725(2) 1 d D U P A 1
H156 H 0.9619 0.6629 0.7513 0.062 Uiso 0.725(2) 1 calc R . P A 1
C157 C 0.9405(4) 0.6724(3) 0.6506(5) 0.0509(19) Uani 0.725(2) 1 d D U P A 1
H157 H 0.9436 0.6961 0.6461 0.061 Uiso 0.725(2) 1 calc R . P A 1
C158 C 0.9249(13) 0.6501(4) 0.6019(7) 0.055(2) Uani 0.725(2) 1 d D U P A 1
H158 H 0.9145 0.6558 0.5580 0.066 Uiso 0.725(2) 1 calc R . P A 1
Si81 Si 0.46962(10) 0.58460(5) 0.39483(10) 0.0533(5) Uani 1 1 d D U . . .
N81 N 0.55731(19) 0.67623(9) 0.6564(2) 0.0271(8) Uani 1 1 d . U . . .
N82 N 0.5726(2) 0.60632(10) 0.6964(2) 0.0308(9) Uani 1 1 d . U . . .
N83 N 0.60892(19) 0.62823(10) 0.8292(2) 0.0279(8) Uani 1 1 d . U . . .
N84 N 0.59468(19) 0.69820(10) 0.7883(2) 0.0276(8) Uani 1 1 d . U . . .
C81 C 0.5555(2) 0.71039(12) 0.6461(3) 0.0277(10) Uani 1 1 d . U . . .
C82 C 0.5402(2) 0.71680(13) 0.5783(3) 0.0327(11) Uani 1 1 d . U . . .
H82 H 0.5374 0.7382 0.5579 0.039 Uiso 1 1 calc R . . . .
C83 C 0.5306(3) 0.68672(12) 0.5494(3) 0.0324(11) Uani 1 1 d . U . . .
H83 H 0.5187 0.6830 0.5051 0.039 Uiso 1 1 calc R . . . .
C84 C 0.5416(2) 0.66153(12) 0.5982(3) 0.0307(10) Uani 1 1 d . U . . .
C85 C 0.5360(3) 0.62641(12) 0.5883(3) 0.0326(10) Uani 1 1 d . U . . .
C86 C 0.5464(3) 0.60111(13) 0.6353(3) 0.0334(11) Uani 1 1 d . U . . .
C87 C 0.5297(3) 0.56611(13) 0.6270(3) 0.0424(13) Uani 1 1 d . U . . .
H87 H 0.5110 0.5559 0.5889 0.051 Uiso 1 1 calc R . . . .
C88 C 0.5456(3) 0.55056(13) 0.6832(3) 0.0408(13) Uani 1 1 d . U . . .
H88 H 0.5407 0.5273 0.6921 0.049 Uiso 1 1 calc R . . . .
C89 C 0.5713(3) 0.57562(12) 0.7269(3) 0.0317(10) Uani 1 1 d . U . . .
C90 C 0.5892(3) 0.56996(12) 0.7933(3) 0.0333(11) Uani 1 1 d . U . . .
C91 C 0.6053(2) 0.59424(12) 0.8404(3) 0.0295(10) Uani 1 1 d . U . . .
C92 C 0.6124(3) 0.58804(13) 0.9088(3) 0.0342(11) Uani 1 1 d . U . . .
H92 H 0.6118 0.5667 0.9294 0.041 Uiso 1 1 calc R . . . .
C93 C 0.6200(3) 0.61772(13) 0.9384(3) 0.0351(11) Uani 1 1 d . U . . .
H93 H 0.6265 0.6213 0.9838 0.042 Uiso 1 1 calc R . . . .
C94 C 0.6167(2) 0.64329(13) 0.8891(3) 0.0304(10) Uani 1 1 d . U . . .
C95 C 0.6153(2) 0.67793(13) 0.9005(3) 0.0315(10) Uani 1 1 d . U . . .
C96 C 0.6012(2) 0.70301(12) 0.8539(3) 0.0301(10) Uani 1 1 d . U . . .
C97 C 0.5880(3) 0.73790(13) 0.8693(3) 0.0345(11) Uani 1 1 d . U . . .
H97 H 0.5897 0.7479 0.9113 0.041 Uiso 1 1 calc R . . . .
C98 C 0.5731(3) 0.75331(13) 0.8132(3) 0.0357(11) Uani 1 1 d . U . . .
H98 H 0.5611 0.7763 0.8081 0.043 Uiso 1 1 calc R . . . .
C99 C 0.5783(2) 0.72882(12) 0.7616(3) 0.0291(10) Uani 1 1 d . U . . .
C100 C 0.5649(2) 0.73494(12) 0.6950(3) 0.0291(10) Uani 1 1 d . U . . .
C101 C 0.5144(3) 0.61506(13) 0.5246(3) 0.0364(11) Uani 1 1 d . U . . .
C102 C 0.4964(3) 0.60428(14) 0.4719(3) 0.0429(13) Uani 1 1 d . U . . .
C103 C 0.5310(4) 0.54837(19) 0.3791(4) 0.0672(18) Uani 1 1 d . U . . .
H103 H 0.5161 0.5372 0.3378 0.081 Uiso 1 1 calc R . . . .
C104 C 0.5275(5) 0.52242(19) 0.4335(4) 0.083(2) Uani 1 1 d . U . . .
H10A H 0.5480 0.5318 0.4734 0.125 Uiso 1 1 calc GR . . . .
H10B H 0.5531 0.5023 0.4208 0.125 Uiso 1 1 calc GR . . . .
H10C H 0.4791 0.5165 0.4414 0.125 Uiso 1 1 calc GR . . . .
C105 C 0.6051(5) 0.5598(3) 0.3710(5) 0.095(3) Uani 1 1 d . U . . .
H10D H 0.6074 0.5763 0.3357 0.143 Uiso 1 1 calc GR . . . .
H10E H 0.6341 0.5404 0.3604 0.143 Uiso 1 1 calc GR . . . .
H10F H 0.6216 0.5701 0.4116 0.143 Uiso 1 1 calc GR . . . .
C106 C 0.3766(5) 0.5725(3) 0.3941(7) 0.057(3) Uani 0.62(2) 1 d D U P B 1
H106 H 0.3476 0.5911 0.3762 0.069 Uiso 0.62(2) 1 calc R . P B 1
C107 C 0.3644(10) 0.5393(6) 0.3539(10) 0.073(5) Uani 0.62(2) 1 d D U P B 1
H10G H 0.3783 0.5429 0.3087 0.110 Uiso 0.62(2) 1 calc GR . P B 1
H10H H 0.3152 0.5333 0.3551 0.110 Uiso 0.62(2) 1 calc GR . P B 1
H10I H 0.3919 0.5211 0.3730 0.110 Uiso 0.62(2) 1 calc GR . P B 1
C108 C 0.3544(8) 0.5638(4) 0.4620(7) 0.073(4) Uani 0.62(2) 1 d D U P B 1
H10J H 0.3806 0.5443 0.4775 0.109 Uiso 0.62(2) 1 calc GR . P B 1
H10K H 0.3049 0.5585 0.4618 0.109 Uiso 0.62(2) 1 calc GR . P B 1
H10L H 0.3632 0.5829 0.4909 0.109 Uiso 0.62(2) 1 calc GR . P B 1
C109 C 0.4826(6) 0.6160(2) 0.3271(4) 0.089(3) Uani 1 1 d . U . . .
H109 H 0.5338 0.6170 0.3210 0.106 Uiso 1 1 calc R . . . .
C110 C 0.4624(5) 0.6502(2) 0.3420(4) 0.083(2) Uani 1 1 d . U . . .
H11A H 0.4147 0.6504 0.3579 0.125 Uiso 1 1 calc GR . . . .
H11B H 0.4653 0.6640 0.3025 0.125 Uiso 1 1 calc GR . . . .
H11C H 0.4933 0.6594 0.3755 0.125 Uiso 1 1 calc GR . . . .
C111 C 0.4539(6) 0.6026(3) 0.2622(4) 0.099(3) Uani 1 1 d . U . . .
H11D H 0.4704 0.5796 0.2552 0.149 Uiso 1 1 calc GR . . . .
H11E H 0.4698 0.6170 0.2265 0.149 Uiso 1 1 calc GR . . . .
H11F H 0.4033 0.6027 0.2632 0.149 Uiso 1 1 calc GR . . . .
C112 C 0.5828(3) 0.53453(12) 0.8177(3) 0.0332(11) Uani 1 1 d . U . . .
C113 C 0.5191(3) 0.52226(13) 0.8358(3) 0.0387(12) Uani 1 1 d . U . . .
H113 H 0.4791 0.5358 0.8293 0.046 Uiso 1 1 calc R . . . .
C114 C 0.5120(3) 0.49053(12) 0.8635(3) 0.0343(11) Uani 1 1 d . U . . .
C115 C 0.5712(3) 0.47117(12) 0.8711(3) 0.0331(11) Uani 1 1 d . U . . .
H115 H 0.5671 0.4493 0.8892 0.040 Uiso 1 1 calc R . . . .
C116 C 0.6368(3) 0.48266(12) 0.8531(3) 0.0335(11) Uani 1 1 d . U . . .
C117 C 0.6414(3) 0.51476(12) 0.8265(3) 0.0345(11) Uani 1 1 d . U . . .
H117 H 0.6853 0.5233 0.8143 0.041 Uiso 1 1 calc R . . . .
C118 C 0.4395(3) 0.47852(13) 0.8843(3) 0.0415(13) Uani 1 1 d . U . . .
C119 C 0.3918(3) 0.47696(17) 0.8249(4) 0.0555(16) Uani 1 1 d . U . . .
H11G H 0.3890 0.4992 0.8047 0.083 Uiso 1 1 calc GR . . . .
H11H H 0.3456 0.4698 0.8383 0.083 Uiso 1 1 calc GR . . . .
H11I H 0.4103 0.4608 0.7934 0.083 Uiso 1 1 calc GR . . . .
C120 C 0.4097(4) 0.50301(16) 0.9340(4) 0.0623(19) Uani 1 1 d . U . . .
H12A H 0.4401 0.5040 0.9723 0.093 Uiso 1 1 calc GR . . . .
H12B H 0.3637 0.4954 0.9470 0.093 Uiso 1 1 calc GR . . . .
H12C H 0.4061 0.5254 0.9145 0.093 Uiso 1 1 calc GR . . . .
C121 C 0.4424(3) 0.44378(14) 0.9165(3) 0.0488(15) Uani 1 1 d . U . . .
H12D H 0.4569 0.4270 0.8844 0.073 Uiso 1 1 calc GR . . . .
H12E H 0.3966 0.4379 0.9329 0.073 Uiso 1 1 calc GR . . . .
H12F H 0.4757 0.4442 0.9527 0.073 Uiso 1 1 calc GR . . . .
C122 C 0.7030(3) 0.46247(14) 0.8651(3) 0.0428(13) Uani 1 1 d . U . . .
C123 C 0.6876(4) 0.42700(17) 0.8887(5) 0.075(2) Uani 1 1 d . U . . .
H12G H 0.6640 0.4281 0.9307 0.113 Uiso 1 1 calc GR . . . .
H12H H 0.7310 0.4145 0.8938 0.113 Uiso 1 1 calc GR . . . .
H12I H 0.6579 0.4156 0.8569 0.113 Uiso 1 1 calc GR . . . .
C124 C 0.7459(3) 0.48119(19) 0.9171(3) 0.0593(17) Uani 1 1 d . U . . .
H12J H 0.7536 0.5044 0.9030 0.089 Uiso 1 1 calc GR . . . .
H12K H 0.7905 0.4699 0.9231 0.089 Uiso 1 1 calc GR . . . .
H12L H 0.7209 0.4812 0.9584 0.089 Uiso 1 1 calc GR . . . .
C125 C 0.7439(3) 0.45944(18) 0.8024(4) 0.0587(17) Uani 1 1 d . U . . .
H12M H 0.7178 0.4459 0.7709 0.088 Uiso 1 1 calc GR . . . .
H12N H 0.7884 0.4486 0.8116 0.088 Uiso 1 1 calc GR . . . .
H12O H 0.7518 0.4819 0.7842 0.088 Uiso 1 1 calc GR . . . .
C126 C 0.5602(2) 0.77097(12) 0.6765(3) 0.0296(10) Uani 1 1 d . U . . .
C127 C 0.6148(2) 0.79282(12) 0.6918(3) 0.0316(11) Uani 1 1 d . U . . .
H127 H 0.6550 0.7841 0.7128 0.038 Uiso 1 1 calc R . . . .
C128 C 0.6118(3) 0.82668(13) 0.6772(3) 0.0356(11) Uani 1 1 d D U . . .
C129 C 0.5529(3) 0.83842(12) 0.6444(3) 0.0335(11) Uani 1 1 d . U . . .
H129 H 0.5504 0.8615 0.6333 0.040 Uiso 1 1 calc R . . . .
C130 C 0.4978(3) 0.81758(12) 0.6274(3) 0.0319(11) Uani 1 1 d . U . . .
C131 C 0.5024(2) 0.78406(12) 0.6454(3) 0.0313(11) Uani 1 1 d . U . . .
H131 H 0.4646 0.7696 0.6360 0.038 Uiso 1 1 calc R . . . .
C132 C 0.6716(5) 0.8491(2) 0.7012(6) 0.038(2) Uani 0.623(10) 1 d D U P C 1
C133 C 0.7369(5) 0.8366(3) 0.6709(6) 0.050(3) Uani 0.623(10) 1 d D U P C 1
H13A H 0.7414 0.8125 0.6787 0.076 Uiso 0.623(10) 1 calc GR . P C 1
H13B H 0.7765 0.8484 0.6903 0.076 Uiso 0.623(10) 1 calc GR . P C 1
H13C H 0.7354 0.8409 0.6239 0.076 Uiso 0.623(10) 1 calc GR . P C 1
C134 C 0.6784(5) 0.8468(2) 0.7763(5) 0.047(2) Uani 0.623(10) 1 d D U P C 1
H13D H 0.6345 0.8533 0.7962 0.070 Uiso 0.623(10) 1 calc GR . P C 1
H13E H 0.7152 0.8618 0.7914 0.070 Uiso 0.623(10) 1 calc GR . P C 1
H13F H 0.6896 0.8236 0.7887 0.070 Uiso 0.623(10) 1 calc GR . P C 1
C135 C 0.6581(5) 0.8857(2) 0.6838(6) 0.047(3) Uani 0.623(10) 1 d D U P C 1
H13G H 0.6514 0.8878 0.6366 0.070 Uiso 0.623(10) 1 calc GR . P C 1
H13H H 0.6978 0.8994 0.6974 0.070 Uiso 0.623(10) 1 calc GR . P C 1
H13I H 0.6165 0.8935 0.7061 0.070 Uiso 0.623(10) 1 calc GR . P C 1
C136 C 0.4341(3) 0.82959(13) 0.5897(3) 0.0403(12) Uani 1 1 d . U . . .
C137 C 0.4423(3) 0.86586(13) 0.5654(3) 0.0418(13) Uani 1 1 d . U . . .
H13J H 0.4472 0.8810 0.6027 0.063 Uiso 1 1 calc GR . . . .
H13K H 0.4013 0.8722 0.5398 0.063 Uiso 1 1 calc GR . . . .
H13L H 0.4834 0.8675 0.5381 0.063 Uiso 1 1 calc GR . . . .
C138 C 0.3707(3) 0.82744(19) 0.6332(4) 0.069(2) Uani 1 1 d . U . . .
H13M H 0.3634 0.8041 0.6464 0.103 Uiso 1 1 calc GR . . . .
H13N H 0.3300 0.8355 0.6092 0.103 Uiso 1 1 calc GR . . . .
H13O H 0.3781 0.8414 0.6720 0.103 Uiso 1 1 calc GR . . . .
C139 C 0.4243(4) 0.80718(15) 0.5296(4) 0.0607(18) Uani 1 1 d . U . . .
H13P H 0.4665 0.8075 0.5036 0.091 Uiso 1 1 calc GR . . . .
H13Q H 0.3855 0.8156 0.5034 0.091 Uiso 1 1 calc GR . . . .
H13R H 0.4147 0.7841 0.5436 0.091 Uiso 1 1 calc GR . . . .
C140 C 0.6236(3) 0.68916(13) 0.9661(3) 0.0348(11) Uani 1 1 d . U . . .
C141 C 0.6297(3) 0.69901(15) 1.0195(3) 0.0462(14) Uani 1 1 d . U . . .
H141 H 0.6347 0.7070 1.0629 0.055 Uiso 1 1 calc R . . . .
Co3 Co 0.85407(16) 0.66427(13) 0.6756(2) 0.0501(10) Uani 0.275(2) 1 d D U P A 2
P81B P 0.7766(3) 0.63807(17) 0.6158(3) 0.0509(15) Uani 0.275(2) 1 d D U P A 2
P82B P 0.8236(3) 0.63862(17) 0.7622(3) 0.0538(16) Uani 0.275(2) 1 d D U P A 2
P83B P 0.7876(3) 0.70581(15) 0.6950(3) 0.0498(15) Uani 0.275(2) 1 d D U P A 2
O81B O 0.7047(6) 0.6343(3) 0.6426(6) 0.041(3) Uani 0.275(2) 1 d D U P A 2
O82B O 0.7476(5) 0.6394(4) 0.7814(7) 0.049(3) Uani 0.275(2) 1 d D U P A 2
O83B O 0.7119(5) 0.6999(3) 0.6992(6) 0.036(3) Uani 0.275(2) 1 d D U P A 2
O84B O 0.7723(17) 0.6588(7) 0.5476(10) 0.0540(19) Uani 0.275(2) 1 d D U P A 2
O85B O 0.8019(10) 0.6021(4) 0.5925(10) 0.075(5) Uani 0.275(2) 1 d D U P A 2
O86B O 0.8458(8) 0.6001(3) 0.7571(8) 0.063(4) Uani 0.275(2) 1 d D U P A 2
O87B O 0.8651(10) 0.6517(7) 0.8258(9) 0.0493(16) Uani 0.275(2) 1 d D U P A 2
O88B O 0.8134(10) 0.7225(6) 0.7656(8) 0.067(4) Uani 0.275(2) 1 d D U P A 2
O89B O 0.7984(7) 0.7381(4) 0.6492(7) 0.059(4) Uani 0.275(2) 1 d D U P A 2
C242 C 0.721(2) 0.6470(8) 0.4996(17) 0.066(9) Uani 0.275(2) 1 d D U P A 2
H24A H 0.7411 0.6291 0.4723 0.080 Uiso 0.275(2) 1 calc R . P A 2
H24B H 0.6803 0.6376 0.5224 0.080 Uiso 0.275(2) 1 calc R . P A 2
C243 C 0.6992(14) 0.6753(9) 0.4586(14) 0.070(8) Uani 0.275(2) 1 d D U P A 2
H24C H 0.6793 0.6667 0.4178 0.105 Uiso 0.275(2) 1 calc GR . P A 2
H24D H 0.7394 0.6894 0.4489 0.105 Uiso 0.275(2) 1 calc GR . P A 2
H24E H 0.6645 0.6886 0.4815 0.105 Uiso 0.275(2) 1 calc GR . P A 2
C244 C 0.778(3) 0.5741(7) 0.626(2) 0.103(12) Uani 0.275(2) 1 d D U P A 2
H24F H 0.7555 0.5814 0.6667 0.123 Uiso 0.275(2) 1 calc R . P A 2
H24G H 0.8181 0.5597 0.6382 0.123 Uiso 0.275(2) 1 calc R . P A 2
C245 C 0.727(2) 0.5538(11) 0.584(3) 0.132(17) Uani 0.275(2) 1 d D U P A 2
H24H H 0.7463 0.5501 0.5407 0.198 Uiso 0.275(2) 1 calc GR . P A 2
H24I H 0.6833 0.5663 0.5797 0.198 Uiso 0.275(2) 1 calc GR . P A 2
H24J H 0.7177 0.5321 0.6048 0.198 Uiso 0.275(2) 1 calc GR . P A 2
C246 C 0.841(2) 0.5804(7) 0.8171(12) 0.062(8) Uani 0.275(2) 1 d D U P A 2
H24K H 0.8756 0.5879 0.8493 0.074 Uiso 0.275(2) 1 calc R . P A 2
H24L H 0.7942 0.5830 0.8364 0.074 Uiso 0.275(2) 1 calc R . P A 2
C247 C 0.8520(18) 0.5471(7) 0.8001(17) 0.064(9) Uani 0.275(2) 1 d D U P A 2
H24M H 0.8860 0.5461 0.7650 0.096 Uiso 0.275(2) 1 calc GR . P A 2
H24N H 0.8085 0.5369 0.7852 0.096 Uiso 0.275(2) 1 calc GR . P A 2
H24O H 0.8696 0.5347 0.8380 0.096 Uiso 0.275(2) 1 calc GR . P A 2
C248 C 0.838(3) 0.6710(11) 0.8785(15) 0.066(10) Uani 0.275(2) 1 d D U P A 2
H24P H 0.7914 0.6794 0.8658 0.079 Uiso 0.275(2) 1 calc R . P A 2
H24Q H 0.8679 0.6907 0.8860 0.079 Uiso 0.275(2) 1 calc R . P A 2
C249 C 0.832(4) 0.6517(15) 0.9412(19) 0.14(3) Uani 0.275(2) 1 d D U P A 2
H24R H 0.7980 0.6336 0.9357 0.208 Uiso 0.275(2) 1 calc GR . P A 2
H24S H 0.8164 0.6669 0.9759 0.208 Uiso 0.275(2) 1 calc GR . P A 2
H24T H 0.8768 0.6422 0.9530 0.208 Uiso 0.275(2) 1 calc GR . P A 2
C250 C 0.774(3) 0.7511(9) 0.7874(14) 0.086(10) Uani 0.275(2) 1 d D U P A 2
H25A H 0.7249 0.7486 0.7730 0.104 Uiso 0.275(2) 1 calc R . P A 2
H25B H 0.7922 0.7719 0.7677 0.104 Uiso 0.275(2) 1 calc R . P A 2
C251 C 0.7767(17) 0.7537(8) 0.8598(13) 0.075(8) Uani 0.275(2) 1 d D U P A 2
H25C H 0.8231 0.7475 0.8752 0.112 Uiso 0.275(2) 1 calc GR . P A 2
H25D H 0.7425 0.7386 0.8789 0.112 Uiso 0.275(2) 1 calc GR . P A 2
H25E H 0.7667 0.7769 0.8730 0.112 Uiso 0.275(2) 1 calc GR . P A 2
C252 C 0.7632(17) 0.7422(9) 0.5882(13) 0.072(10) Uani 0.275(2) 1 d D U P A 2
H25F H 0.7169 0.7522 0.5951 0.087 Uiso 0.275(2) 1 calc R . P A 2
H25G H 0.7572 0.7202 0.5665 0.087 Uiso 0.275(2) 1 calc R . P A 2
C253 C 0.805(2) 0.7645(12) 0.5477(16) 0.064(12) Uani 0.275(2) 1 d D U P A 2
H25H H 0.8185 0.7527 0.5078 0.096 Uiso 0.275(2) 1 calc GR . P A 2
H25I H 0.8469 0.7712 0.5719 0.096 Uiso 0.275(2) 1 calc GR . P A 2
H25J H 0.7784 0.7846 0.5364 0.096 Uiso 0.275(2) 1 calc GR . P A 2
C254 C 0.928(4) 0.6548(8) 0.6043(16) 0.066(5) Uani 0.275(2) 1 d D U P A 2
H254 H 0.9177 0.6440 0.5641 0.079 Uiso 0.275(2) 1 calc R . P A 2
C255 C 0.9485(11) 0.6383(7) 0.6614(13) 0.065(4) Uani 0.275(2) 1 d D U P A 2
H255 H 0.9557 0.6149 0.6671 0.078 Uiso 0.275(2) 1 calc R . P A 2
C256 C 0.9564(19) 0.6636(7) 0.7084(12) 0.065(5) Uani 0.275(2) 1 d D U P A 2
H256 H 0.9697 0.6603 0.7526 0.078 Uiso 0.275(2) 1 calc R . P A 2
C257 C 0.9412(11) 0.6950(7) 0.6786(13) 0.072(4) Uani 0.275(2) 1 d D U P A 2
H257 H 0.9427 0.7164 0.6990 0.086 Uiso 0.275(2) 1 calc R . P A 2
C258 C 0.9239(10) 0.6886(6) 0.6150(11) 0.065(4) Uani 0.275(2) 1 d D U P A 2
H258 H 0.9112 0.7050 0.5835 0.078 Uiso 0.275(2) 1 calc R . P A 2
Dy1 Dy 0.14446(2) 0.65540(2) 0.76028(2) 0.02570(6) Uani 1 1 d . U . . .
Co1 Co 0.35430(4) 0.64417(2) 0.81175(4) 0.04164(18) Uani 1 1 d . U . . .
P1 P 0.27681(7) 0.66240(4) 0.87795(8) 0.0419(3) Uani 1 1 d . U . . .
P2 P 0.31730(7) 0.67637(4) 0.73353(8) 0.0420(4) Uani 1 1 d . U . . .
P3 P 0.28825(7) 0.60289(4) 0.78308(8) 0.0400(3) Uani 1 1 d . U . . .
Si1 Si -0.03933(9) 0.59296(4) 1.09096(9) 0.0446(4) Uani 1 1 d D U . . .
O1 O 0.20168(18) 0.66164(11) 0.8571(2) 0.0452(10) Uani 1 1 d . U . . .
O2 O 0.24100(18) 0.68295(10) 0.7267(2) 0.0441(10) Uani 1 1 d . U . . .
O3 O 0.21927(18) 0.61127(9) 0.7528(2) 0.0416(9) Uani 1 1 d . U . . .
O4 O 0.2809(2) 0.64484(12) 0.9481(2) 0.0531(11) Uani 1 1 d . U . . .
O5 O 0.2987(2) 0.70030(11) 0.8964(2) 0.0530(11) Uani 1 1 d . U . . .
O6 O 0.3551(2) 0.71236(11) 0.7363(2) 0.0562(12) Uani 1 1 d . U . . .
O7 O 0.3469(2) 0.66176(11) 0.6665(2) 0.0512(10) Uani 1 1 d . U . . .
O8 O 0.3251(2) 0.57572(11) 0.7367(2) 0.0550(11) Uani 1 1 d . U . . .
O9 O 0.2775(2) 0.57945(10) 0.8461(2) 0.0495(10) Uani 1 1 d . U . . .
N1 N 0.0703(2) 0.61021(10) 0.7931(2) 0.0306(9) Uani 1 1 d . U . . .
N2 N 0.0613(2) 0.68059(10) 0.8311(2) 0.0288(8) Uani 1 1 d . U . . .
N3 N 0.0981(2) 0.70102(10) 0.6992(2) 0.0285(8) Uani 1 1 d . U . . .
N4 N 0.10559(19) 0.63081(10) 0.6604(2) 0.0285(8) Uani 1 1 d . U . . .
C1 C 0.0684(2) 0.57920(12) 0.7634(3) 0.0318(10) Uani 1 1 d . U . . .
C2 C 0.0446(3) 0.55457(13) 0.8098(3) 0.0402(12) Uani 1 1 d . U . . .
H2 H 0.0390 0.5312 0.8021 0.048 Uiso 1 1 calc R . . . .
C3 C 0.0318(3) 0.57065(13) 0.8658(3) 0.0394(12) Uani 1 1 d . U . . .
H3 H 0.0159 0.5609 0.9052 0.047 Uiso 1 1 calc R . . . .
C4 C 0.0469(2) 0.60570(12) 0.8545(3) 0.0321(10) Uani 1 1 d . U . . .
C5 C 0.0365(2) 0.63154(13) 0.9006(3) 0.0317(10) Uani 1 1 d . U . . .
C6 C 0.0438(2) 0.66653(12) 0.8891(3) 0.0294(10) Uani 1 1 d . U . . .
C7 C 0.0324(3) 0.69218(13) 0.9372(3) 0.0359(11) Uani 1 1 d . U . . .
H7 H 0.0194 0.6889 0.9812 0.043 Uiso 1 1 calc R . . . .
C8 C 0.0440(3) 0.72196(13) 0.9071(3) 0.0366(12) Uani 1 1 d . U . . .
H8 H 0.0416 0.7435 0.9267 0.044 Uiso 1 1 calc R . . . .
C9 C 0.0604(3) 0.71520(12) 0.8407(3) 0.0320(10) Uani 1 1 d . U . . .
C10 C 0.0725(3) 0.73907(12) 0.7910(3) 0.0332(11) Uani 1 1 d . U . . .
C11 C 0.0855(3) 0.73228(12) 0.7249(3) 0.0328(11) Uani 1 1 d . U . . .
C12 C 0.0852(3) 0.75683(14) 0.6734(3) 0.0429(13) Uani 1 1 d . U . . .
H12 H 0.0779 0.7803 0.6782 0.051 Uiso 1 1 calc R . . . .
C13 C 0.0970(3) 0.74045(14) 0.6171(3) 0.0407(12) Uani 1 1 d . U . . .
H13 H 0.0993 0.7500 0.5748 0.049 Uiso 1 1 calc R . . . .
C14 C 0.1055(2) 0.70540(12) 0.6339(3) 0.0300(10) Uani 1 1 d . U . . .
C15 C 0.1162(2) 0.67966(13) 0.5879(3) 0.0312(10) Uani 1 1 d . U . . .
C16 C 0.1144(2) 0.64474(12) 0.6009(3) 0.0289(10) Uani 1 1 d . U . . .
C17 C 0.1165(3) 0.61899(13) 0.5514(3) 0.0360(11) Uani 1 1 d . U . . .
H17 H 0.1233 0.6224 0.5061 0.043 Uiso 1 1 calc R . . . .
C18 C 0.1071(3) 0.58937(14) 0.5815(3) 0.0393(12) Uani 1 1 d . U . . .
H18 H 0.1061 0.5678 0.5616 0.047 Uiso 1 1 calc R . . . .
C19 C 0.0989(2) 0.59660(12) 0.6496(3) 0.0315(10) Uani 1 1 d . U . . .
C20 C 0.0824(2) 0.57281(12) 0.6979(3) 0.0329(10) Uani 1 1 d . U . . .
C21 C 0.0136(3) 0.62115(13) 0.9637(3) 0.0349(11) Uani 1 1 d . U . . .
C22 C -0.0064(3) 0.61019(14) 1.0146(3) 0.0406(12) Uani 1 1 d . U . . .
C23 C -0.0505(4) 0.62968(17) 1.1476(3) 0.0603(17) Uani 1 1 d . U . . .
H23 H -0.0771 0.6218 1.1862 0.072 Uiso 1 1 calc R . . . .
C24 C -0.0901(5) 0.65847(18) 1.1167(4) 0.077(2) Uani 1 1 d . U . . .
H24U H -0.0625 0.6684 1.0818 0.116 Uiso 1 1 calc GR . . . .
H24V H -0.0997 0.6756 1.1497 0.116 Uiso 1 1 calc GR . . . .
H24W H -0.1339 0.6501 1.0986 0.116 Uiso 1 1 calc GR . . . .
C25 C 0.0187(5) 0.6427(2) 1.1717(4) 0.082(2) Uani 1 1 d . U . . .
H25K H 0.0442 0.6244 1.1932 0.123 Uiso 1 1 calc GR . . . .
H25L H 0.0113 0.6610 1.2028 0.123 Uiso 1 1 calc GR . . . .
H25M H 0.0455 0.6510 1.1348 0.123 Uiso 1 1 calc GR . . . .
C26 C 0.0288(5) 0.5622(2) 1.1218(4) 0.071(2) Uani 1 1 d . U . . .
H26 H 0.0733 0.5749 1.1240 0.085 Uiso 1 1 calc R . . . .
C27 C 0.0409(6) 0.5330(2) 1.0759(5) 0.103(3) Uani 1 1 d . U . . .
H27A H -0.0003 0.5187 1.0746 0.155 Uiso 1 1 calc GR . . . .
H27B H 0.0806 0.5198 1.0913 0.155 Uiso 1 1 calc GR . . . .
H27C H 0.0502 0.5416 1.0321 0.155 Uiso 1 1 calc GR . . . .
C28 C 0.0147(5) 0.5500(2) 1.1908(4) 0.090(3) Uani 1 1 d . U . . .
H28A H 0.0117 0.5693 1.2202 0.136 Uiso 1 1 calc GR . . . .
H28B H 0.0525 0.5352 1.2052 0.136 Uiso 1 1 calc GR . . . .
H28C H -0.0290 0.5375 1.1914 0.136 Uiso 1 1 calc GR . . . .
C29 C -0.1308(7) 0.5783(4) 1.0691(8) 0.051(4) Uani 0.484(16) 1 d D U P D 1
H29 H -0.1575 0.5991 1.0583 0.061 Uiso 0.484(16) 1 calc R . P D 1
C30 C -0.1347(17) 0.5565(9) 1.0093(12) 0.087(11) Uani 0.484(16) 1 d D U P D 1
H30A H -0.1067 0.5664 0.9747 0.131 Uiso 0.484(16) 1 calc GR . P D 1
H30B H -0.1829 0.5548 0.9945 0.131 Uiso 0.484(16) 1 calc GR . P D 1
H30C H -0.1171 0.5340 1.0198 0.131 Uiso 0.484(16) 1 calc GR . P D 1
C31 C -0.1693(8) 0.5615(4) 1.1233(8) 0.066(5) Uani 0.484(16) 1 d D U P D 1
H31A H -0.1488 0.5395 1.1321 0.099 Uiso 0.484(16) 1 calc GR . P D 1
H31B H -0.2179 0.5587 1.1105 0.099 Uiso 0.484(16) 1 calc GR . P D 1
H31C H -0.1664 0.5754 1.1626 0.099 Uiso 0.484(16) 1 calc GR . P D 1
C32 C 0.0688(3) 0.77548(12) 0.8091(3) 0.0336(11) Uani 1 1 d . U . . .
C33 C 0.0092(3) 0.78850(13) 0.8370(3) 0.0362(12) Uani 1 1 d . U . . .
H33 H -0.0297 0.7743 0.8426 0.043 Uiso 1 1 calc R . . . .
C34 C 0.0052(3) 0.82177(13) 0.8569(3) 0.0341(11) Uani 1 1 d . U . . .
C35 C 0.0627(3) 0.84239(12) 0.8446(3) 0.0361(12) Uani 1 1 d . U . . .
H35 H 0.0607 0.8653 0.8570 0.043 Uiso 1 1 calc R . . . .
C36 C 0.1227(3) 0.83043(13) 0.8148(3) 0.0376(12) Uani 1 1 d . U . . .
C37 C 0.1251(3) 0.79667(12) 0.7984(3) 0.0352(12) Uani 1 1 d . U . . .
H37 H 0.1659 0.7878 0.7796 0.042 Uiso 1 1 calc R . . . .
C38 C -0.0605(3) 0.83402(14) 0.8899(3) 0.0398(12) Uani 1 1 d . U . . .
C39 C -0.0822(3) 0.80893(15) 0.9422(3) 0.0506(15) Uani 1 1 d . U . . .
H39A H -0.0930 0.7873 0.9218 0.076 Uiso 1 1 calc GR . . . .
H39B H -0.1231 0.8174 0.9647 0.076 Uiso 1 1 calc GR . . . .
H39C H -0.0443 0.8060 0.9736 0.076 Uiso 1 1 calc GR . . . .
C40 C -0.1176(3) 0.83626(16) 0.8375(3) 0.0496(15) Uani 1 1 d . U . . .
H40A H -0.1049 0.8531 0.8051 0.074 Uiso 1 1 calc GR . . . .
H40B H -0.1613 0.8427 0.8579 0.074 Uiso 1 1 calc GR . . . .
H40C H -0.1230 0.8144 0.8163 0.074 Uiso 1 1 calc GR . . . .
C41 C -0.0508(3) 0.86834(14) 0.9223(3) 0.0425(13) Uani 1 1 d . U . . .
H41A H -0.0121 0.8673 0.9533 0.064 Uiso 1 1 calc GR . . . .
H41B H -0.0931 0.8745 0.9453 0.064 Uiso 1 1 calc GR . . . .
H41C H -0.0410 0.8852 0.8889 0.064 Uiso 1 1 calc GR . . . .
C42 C 0.1863(3) 0.85266(14) 0.8034(4) 0.0507(15) Uani 1 1 d . U . . .
C43 C 0.1739(4) 0.88914(16) 0.8181(4) 0.068(2) Uani 1 1 d . U . . .
H43A H 0.1368 0.8977 0.7899 0.101 Uiso 1 1 calc GR . . . .
H43B H 0.2164 0.9019 0.8102 0.101 Uiso 1 1 calc GR . . . .
H43C H 0.1606 0.8916 0.8638 0.101 Uiso 1 1 calc GR . . . .
C44 C 0.2105(5) 0.8491(2) 0.7338(5) 0.086(3) Uani 1 1 d . U . . .
H44A H 0.2248 0.8259 0.7259 0.129 Uiso 1 1 calc GR . . . .
H44B H 0.2497 0.8642 0.7265 0.129 Uiso 1 1 calc GR . . . .
H44C H 0.1726 0.8550 0.7039 0.129 Uiso 1 1 calc GR . . . .
C45 C 0.2449(4) 0.8405(2) 0.8481(5) 0.088(3) Uani 1 1 d . U . . .
H45A H 0.2326 0.8448 0.8936 0.132 Uiso 1 1 calc GR . . . .
H45B H 0.2875 0.8526 0.8377 0.132 Uiso 1 1 calc GR . . . .
H45C H 0.2520 0.8164 0.8417 0.132 Uiso 1 1 calc GR . . . .
C46 C 0.0736(3) 0.53706(13) 0.6757(3) 0.0373(12) Uani 1 1 d . U . . .
C47 C 0.1270(3) 0.51424(14) 0.6838(3) 0.0440(14) Uani 1 1 d . U . . .
H47 H 0.1696 0.5213 0.7026 0.053 Uiso 1 1 calc R . . . .
C48 C 0.1186(3) 0.48100(14) 0.6645(3) 0.0479(15) Uani 1 1 d D U . . .
C49 C 0.0556(3) 0.47167(14) 0.6368(3) 0.0443(14) Uani 1 1 d . U . . .
H49 H 0.0500 0.4492 0.6221 0.053 Uiso 1 1 calc R . . . .
C50 C 0.0008(3) 0.49374(13) 0.6296(3) 0.0370(12) Uani 1 1 d . U . . .
C51 C 0.0108(3) 0.52670(13) 0.6499(3) 0.0398(13) Uani 1 1 d . U . . .
H51 H -0.0261 0.5424 0.6460 0.048 Uiso 1 1 calc R . . . .
C52 C 0.1732(5) 0.4538(2) 0.6800(6) 0.046(3) Uani 0.65(2) 1 d D U P E 1
C53 C 0.1981(6) 0.4405(3) 0.6160(6) 0.060(4) Uani 0.65(2) 1 d D U P E 1
H53A H 0.1586 0.4321 0.5906 0.089 Uiso 0.65(2) 1 calc GR . P E 1
H53B H 0.2310 0.4223 0.6237 0.089 Uiso 0.65(2) 1 calc GR . P E 1
H53C H 0.2208 0.4586 0.5919 0.089 Uiso 0.65(2) 1 calc GR . P E 1
C54 C 0.1432(6) 0.4242(2) 0.7181(8) 0.060(4) Uani 0.65(2) 1 d D U P E 1
H54A H 0.1275 0.4320 0.7607 0.091 Uiso 0.65(2) 1 calc GR . P E 1
H54B H 0.1789 0.4070 0.7241 0.091 Uiso 0.65(2) 1 calc GR . P E 1
H54C H 0.1041 0.4146 0.6939 0.091 Uiso 0.65(2) 1 calc GR . P E 1
C55 C 0.2330(8) 0.4677(4) 0.7198(7) 0.043(3) Uani 0.65(2) 1 d D U P E 1
H55A H 0.2513 0.4877 0.6984 0.064 Uiso 0.65(2) 1 calc GR . P E 1
H55B H 0.2695 0.4507 0.7232 0.064 Uiso 0.65(2) 1 calc GR . P E 1
H55C H 0.2169 0.4736 0.7634 0.064 Uiso 0.65(2) 1 calc GR . P E 1
C56 C -0.0704(3) 0.48318(14) 0.6019(3) 0.0425(13) Uani 1 1 d . U . . .
C57 C -0.0689(3) 0.44713(15) 0.5764(3) 0.0510(15) Uani 1 1 d . U . . .
H57A H -0.0372 0.4457 0.5394 0.076 Uiso 1 1 calc GR . . . .
H57B H -0.1154 0.4405 0.5622 0.076 Uiso 1 1 calc GR . . . .
H57C H -0.0529 0.4320 0.6111 0.076 Uiso 1 1 calc GR . . . .
C58 C -0.1240(3) 0.48559(18) 0.6559(4) 0.0607(17) Uani 1 1 d . U . . .
H58A H -0.1112 0.4703 0.6914 0.091 Uiso 1 1 calc GR . . . .
H58B H -0.1695 0.4793 0.6386 0.091 Uiso 1 1 calc GR . . . .
H58C H -0.1255 0.5087 0.6724 0.091 Uiso 1 1 calc GR . . . .
C59 C -0.0915(4) 0.50604(17) 0.5456(4) 0.0659(19) Uani 1 1 d . U . . .
H59A H -0.0954 0.5292 0.5612 0.099 Uiso 1 1 calc GR . . . .
H59B H -0.1362 0.4987 0.5279 0.099 Uiso 1 1 calc GR . . . .
H59C H -0.0565 0.5049 0.5114 0.099 Uiso 1 1 calc GR . . . .
C60 C 0.1248(3) 0.69014(13) 0.5215(3) 0.0355(11) Uani 1 1 d . U . . .
C61 C 0.1312(3) 0.69965(14) 0.4682(3) 0.0443(13) Uani 1 1 d . U . . .
H61 H 0.1365 0.7074 0.4248 0.053 Uiso 1 1 calc R . . . .
C62 C 0.2273(3) 0.62352(19) 0.9721(3) 0.0578(17) Uani 1 1 d . U . . .
H62A H 0.2480 0.6024 0.9886 0.069 Uiso 1 1 calc R . . . .
H62B H 0.1953 0.6178 0.9360 0.069 Uiso 1 1 calc R . . . .
C63 C 0.1879(4) 0.6398(2) 1.0251(4) 0.071(2) Uani 1 1 d . U . . .
H63A H 0.1669 0.6606 1.0089 0.106 Uiso 1 1 calc GR . . . .
H63B H 0.2193 0.6450 1.0615 0.106 Uiso 1 1 calc GR . . . .
H63C H 0.1516 0.6246 1.0401 0.106 Uiso 1 1 calc GR . . . .
C64 C 0.2553(4) 0.7191(2) 0.9403(4) 0.072(2) Uani 1 1 d . U . . .
H64A H 0.2504 0.7069 0.9819 0.087 Uiso 1 1 calc R . . . .
H64B H 0.2087 0.7221 0.9208 0.087 Uiso 1 1 calc R . . . .
C65 C 0.2879(4) 0.75275(19) 0.9522(4) 0.078(2) Uani 1 1 d . U . . .
H65A H 0.2917 0.7649 0.9109 0.117 Uiso 1 1 calc GR . . . .
H65B H 0.3340 0.7496 0.9713 0.117 Uiso 1 1 calc GR . . . .
H65C H 0.2592 0.7657 0.9823 0.117 Uiso 1 1 calc GR . . . .
C66 C 0.3216(3) 0.74262(16) 0.7543(4) 0.065(2) Uani 1 1 d . U . . .
H66A H 0.2834 0.7378 0.7847 0.078 Uiso 1 1 calc R . . . .
H66B H 0.3020 0.7538 0.7153 0.078 Uiso 1 1 calc R . . . .
C67 C 0.3748(4) 0.76546(19) 0.7870(5) 0.081(3) Uani 1 1 d . U . . .
H67A H 0.4150 0.7679 0.7587 0.121 Uiso 1 1 calc GR . . . .
H67B H 0.3894 0.7556 0.8286 0.121 Uiso 1 1 calc GR . . . .
H67C H 0.3542 0.7876 0.7948 0.121 Uiso 1 1 calc GR . . . .
C68 C 0.3341(4) 0.68082(19) 0.6066(4) 0.0630(18) Uani 1 1 d . U . . .
H68A H 0.2899 0.6932 0.6100 0.076 Uiso 1 1 calc R . . . .
H68B H 0.3716 0.6974 0.6002 0.076 Uiso 1 1 calc R . . . .
C69 C 0.3311(4) 0.6581(2) 0.5520(4) 0.074(2) Uani 1 1 d . U . . .
H69A H 0.3297 0.6710 0.5114 0.110 Uiso 1 1 calc GR . . . .
H69B H 0.2895 0.6442 0.5550 0.110 Uiso 1 1 calc GR . . . .
H69C H 0.3722 0.6437 0.5525 0.110 Uiso 1 1 calc GR . . . .
C70 C 0.3266(4) 0.58015(19) 0.6683(4) 0.0666(19) Uani 1 1 d . U . . .
H70A H 0.3643 0.5958 0.6566 0.080 Uiso 1 1 calc R . . . .
H70B H 0.2823 0.5899 0.6530 0.080 Uiso 1 1 calc R . . . .
C71 C 0.3376(7) 0.5478(2) 0.6372(5) 0.121(4) Uani 1 1 d . U . . .
H71A H 0.3506 0.5513 0.5917 0.181 Uiso 1 1 calc GR . . . .
H71B H 0.2950 0.5346 0.6390 0.181 Uiso 1 1 calc GR . . . .
H71C H 0.3748 0.5358 0.6600 0.181 Uiso 1 1 calc GR . . . .
C72 C 0.2348(4) 0.54942(16) 0.8380(4) 0.0605(18) Uani 1 1 d . U . . .
H72A H 0.2610 0.5320 0.8142 0.073 Uiso 1 1 calc R . . . .
H72B H 0.1929 0.5550 0.8121 0.073 Uiso 1 1 calc R . . . .
C73 C 0.2146(4) 0.5364(2) 0.9020(4) 0.075(2) Uani 1 1 d . U . . .
H73A H 0.1882 0.5155 0.8963 0.113 Uiso 1 1 calc GR . . . .
H73B H 0.1859 0.5530 0.9243 0.113 Uiso 1 1 calc GR . . . .
H73C H 0.2561 0.5318 0.9282 0.113 Uiso 1 1 calc GR . . . .
C74 C 0.4274(3) 0.6410(2) 0.8851(4) 0.0588(16) Uani 1 1 d . U . . .
H74 H 0.4181 0.6426 0.9303 0.071 Uiso 1 1 calc R . . . .
C75 C 0.4426(3) 0.66879(18) 0.8438(3) 0.0512(15) Uani 1 1 d . U . . .
H75 H 0.4448 0.6919 0.8555 0.061 Uiso 1 1 calc R . . . .
C76 C 0.4537(3) 0.6543(2) 0.7816(4) 0.0622(17) Uani 1 1 d . U . . .
H76 H 0.4650 0.6660 0.7427 0.075 Uiso 1 1 calc R . . . .
C77 C 0.4448(3) 0.6191(2) 0.7884(5) 0.0700(19) Uani 1 1 d . U . . .
H77 H 0.4498 0.6030 0.7546 0.084 Uiso 1 1 calc R . . . .
C78 C 0.4279(3) 0.6120(2) 0.8513(5) 0.0727(19) Uani 1 1 d . U . . .
H78 H 0.4181 0.5904 0.8684 0.087 Uiso 1 1 calc R . . . .
C29A C -0.1171(6) 0.5651(3) 1.0755(7) 0.047(3) Uani 0.516(16) 1 d D U P D 2
H29A H -0.1137 0.5462 1.1075 0.056 Uiso 0.516(16) 1 calc R . P D 2
C30A C -0.1185(12) 0.5492(7) 1.0088(9) 0.050(4) Uani 0.516(16) 1 d D U P D 2
H30D H -0.1225 0.5668 0.9756 0.076 Uiso 0.516(16) 1 calc GR . P D 2
H30E H -0.1581 0.5340 1.0053 0.076 Uiso 0.516(16) 1 calc GR . P D 2
H30F H -0.0757 0.5366 1.0021 0.076 Uiso 0.516(16) 1 calc GR . P D 2
C31A C -0.1836(7) 0.5823(4) 1.0883(8) 0.060(4) Uani 0.516(16) 1 d D U P D 2
H31D H -0.1842 0.5901 1.1335 0.091 Uiso 0.516(16) 1 calc GR . P D 2
H31E H -0.2219 0.5666 1.0811 0.091 Uiso 0.516(16) 1 calc GR . P D 2
H31F H -0.1887 0.6015 1.0589 0.091 Uiso 0.516(16) 1 calc GR . P D 2
C52A C 0.1859(10) 0.4595(6) 0.6569(14) 0.075(6) Uani 0.35(2) 1 d D U P E 2
C53A C 0.2181(16) 0.4597(9) 0.5911(13) 0.095(8) Uani 0.35(2) 1 d D U P E 2
H53D H 0.1840 0.4526 0.5585 0.143 Uiso 0.35(2) 1 calc GR . P E 2
H53E H 0.2576 0.4443 0.5908 0.143 Uiso 0.35(2) 1 calc GR . P E 2
H53F H 0.2339 0.4825 0.5809 0.143 Uiso 0.35(2) 1 calc GR . P E 2
C54A C 0.1657(14) 0.4231(5) 0.6715(18) 0.086(8) Uani 0.35(2) 1 d D U P E 2
H54D H 0.1303 0.4228 0.7054 0.130 Uiso 0.35(2) 1 calc GR . P E 2
H54E H 0.2065 0.4107 0.6865 0.130 Uiso 0.35(2) 1 calc GR . P E 2
H54F H 0.1472 0.4126 0.6318 0.130 Uiso 0.35(2) 1 calc GR . P E 2
C55A C 0.242(2) 0.4683(11) 0.7067(18) 0.083(10) Uani 0.35(2) 1 d D U P E 2
H55D H 0.2680 0.4879 0.6916 0.125 Uiso 0.35(2) 1 calc GR . P E 2
H55E H 0.2737 0.4492 0.7119 0.125 Uiso 0.35(2) 1 calc GR . P E 2
H55F H 0.2208 0.4734 0.7487 0.125 Uiso 0.35(2) 1 calc GR . P E 2
C232 C 0.6752(8) 0.8510(4) 0.6828(9) 0.051(4) Uani 0.377(10) 1 d D U P C 2
C233 C 0.7001(9) 0.8656(4) 0.6196(8) 0.058(4) Uani 0.377(10) 1 d D U P C 2
H23A H 0.7209 0.8478 0.5933 0.087 Uiso 0.377(10) 1 calc GR . P C 2
H23B H 0.7347 0.8830 0.6286 0.087 Uiso 0.377(10) 1 calc GR . P C 2
H23C H 0.6610 0.8755 0.5958 0.087 Uiso 0.377(10) 1 calc GR . P C 2
C234 C 0.7368(8) 0.8347(5) 0.7194(11) 0.059(5) Uani 0.377(10) 1 d D U P C 2
H23D H 0.7209 0.8257 0.7611 0.089 Uiso 0.377(10) 1 calc GR . P C 2
H23E H 0.7726 0.8516 0.7273 0.089 Uiso 0.377(10) 1 calc GR . P C 2
H23F H 0.7557 0.8165 0.6930 0.089 Uiso 0.377(10) 1 calc GR . P C 2
C235 C 0.6524(9) 0.8802(4) 0.7265(10) 0.055(4) Uani 0.377(10) 1 d D U P C 2
H23G H 0.6162 0.8932 0.7043 0.083 Uiso 0.377(10) 1 calc GR . P C 2
H23H H 0.6921 0.8948 0.7357 0.083 Uiso 0.377(10) 1 calc GR . P C 2
H23I H 0.6344 0.8713 0.7675 0.083 Uiso 0.377(10) 1 calc GR . P C 2
C206 C 0.3850(9) 0.5623(7) 0.4172(13) 0.082(6) Uani 0.38(2) 1 d D U P B 2
H206 H 0.3972 0.5429 0.4460 0.098 Uiso 0.38(2) 1 calc R . P B 2
C207 C 0.346(2) 0.5478(14) 0.356(2) 0.123(15) Uani 0.38(2) 1 d D U P B 2
H20A H 0.3136 0.5647 0.3387 0.185 Uiso 0.38(2) 1 calc GR . P B 2
H20B H 0.3201 0.5276 0.3681 0.185 Uiso 0.38(2) 1 calc GR . P B 2
H20C H 0.3794 0.5420 0.3220 0.185 Uiso 0.38(2) 1 calc GR . P B 2
C208 C 0.3261(14) 0.5812(10) 0.4491(16) 0.115(11) Uani 0.38(2) 1 d D U P B 2
H20D H 0.3397 0.5875 0.4935 0.172 Uiso 0.38(2) 1 calc GR . P B 2
H20E H 0.2851 0.5667 0.4505 0.172 Uiso 0.38(2) 1 calc GR . P B 2
H20F H 0.3155 0.6014 0.4238 0.172 Uiso 0.38(2) 1 calc GR . P B 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy2 O81 2.288(4) . ?
Dy2 O82 2.256(4) . ?
Dy2 O83 2.297(5) . ?
Dy2 N81 2.405(4) . ?
Dy2 N82 2.400(4) . ?
Dy2 N83 2.403(4) . ?
Dy2 N84 2.390(4) . ?
Dy2 O81B 2.245(12) . ?
Dy2 O82B 2.342(11) . ?
Dy2 O83B 2.363(11) . ?
Co2 P81 2.153(2) . ?
Co2 P82 2.190(2) . ?
Co2 P83 2.159(3) . ?
Co2 C154 2.061(8) . ?
Co2 C155 2.059(8) . ?
Co2 C156 2.056(12) . ?
Co2 C157 2.069(9) . ?
Co2 C158 2.07(2) . ?
P81 O81 1.496(5) . ?
P81 O84 1.626(7) . ?
P81 O85 1.601(6) . ?
P82 O82 1.501(5) . ?
P82 O86 1.605(8) . ?
P82 O87 1.613(5) . ?
P83 O83 1.509(5) . ?
P83 O88 1.622(6) . ?
P83 O89 1.625(9) . ?
O84 C142 1.473(11) . ?
O85 C144 1.384(11) . ?
O86 C146 1.458(13) . ?
O87 C148 1.443(10) . ?
O88 C150 1.448(12) . ?
O89 C152 1.413(13) . ?
C142 H14A 0.9900 . ?
C142 H14B 0.9900 . ?
C142 C143 1.466(15) . ?
C143 H14C 0.9800 . ?
C143 H14D 0.9800 . ?
C143 H14E 0.9800 . ?
C144 H14F 0.9900 . ?
C144 H14G 0.9900 . ?
C144 C145 1.546(12) . ?
C145 H14H 0.9800 . ?
C145 H14I 0.9800 . ?
C145 H14J 0.9800 . ?
C146 H14K 0.9900 . ?
C146 H14L 0.9900 . ?
C146 C147 1.393(16) . ?
C147 H14M 0.9800 . ?
C147 H14N 0.9800 . ?
C147 H14O 0.9800 . ?
C148 H14P 0.9900 . ?
C148 H14Q 0.9900 . ?
C148 C149 1.516(15) . ?
C149 H14R 0.9800 . ?
C149 H14S 0.9800 . ?
C149 H14T 0.9800 . ?
C150 H15A 0.9900 . ?
C150 H15B 0.9900 . ?
C150 C151 1.476(16) . ?
C151 H15C 0.9800 . ?
C151 H15D 0.9800 . ?
C151 H15E 0.9800 . ?
C152 H15F 0.9900 . ?
C152 H15G 0.9900 . ?
C152 C153 1.460(15) . ?
C153 H15H 0.9800 . ?
C153 H15I 0.9800 . ?
C153 H15J 0.9800 . ?
C154 H154 0.9500 . ?
C154 C155 1.397(14) . ?
C154 C158 1.370(18) . ?
C155 H155 0.9500 . ?
C155 C156 1.400(12) . ?
C156 H156 0.9500 . ?
C156 C157 1.429(13) . ?
C157 H157 0.9500 . ?
C157 C158 1.370(16) . ?
C158 H158 0.9500 . ?
Si81 C102 1.837(6) . ?
Si81 C103 1.898(8) . ?
Si81 C106 1.863(10) . ?
Si81 C109 1.888(9) . ?
Si81 C206 1.921(17) . ?
N81 C81 1.377(6) . ?
N81 C84 1.364(7) . ?
N82 C86 1.365(7) . ?
N82 C89 1.375(6) . ?
N83 C91 1.375(6) . ?
N83 C94 1.376(7) . ?
N84 C96 1.365(7) . ?
N84 C99 1.373(6) . ?
C81 C82 1.444(7) . ?
C81 C100 1.412(7) . ?
C82 H82 0.9500 . ?
C82 C83 1.349(7) . ?
C83 H83 0.9500 . ?
C83 C84 1.432(7) . ?
C84 C85 1.417(7) . ?
C85 C86 1.409(7) . ?
C85 C101 1.442(8) . ?
C86 C87 1.440(7) . ?
C87 H87 0.9500 . ?
C87 C88 1.343(8) . ?
C88 H88 0.9500 . ?
C88 C89 1.430(7) . ?
C89 C90 1.421(8) . ?
C90 C91 1.401(7) . ?
C90 C112 1.503(7) . ?
C91 C92 1.432(7) . ?
C92 H92 0.9500 . ?
C92 C93 1.337(8) . ?
C93 H93 0.9500 . ?
C93 C94 1.438(7) . ?
C94 C95 1.399(7) . ?
C95 C96 1.408(7) . ?
C95 C140 1.429(8) . ?
C96 C97 1.448(7) . ?
C97 H97 0.9500 . ?
C97 C98 1.335(8) . ?
C98 H98 0.9500 . ?
C98 C99 1.444(7) . ?
C99 C100 1.412(7) . ?
C100 C126 1.487(7) . ?
C101 C102 1.214(8) . ?
C103 H103 1.0000 . ?
C103 C104 1.524(11) . ?
C103 C105 1.514(12) . ?
C104 H10A 0.9800 . ?
C104 H10B 0.9800 . ?
C104 H10C 0.9800 . ?
C105 H10D 0.9800 . ?
C105 H10E 0.9800 . ?
C105 H10F 0.9800 . ?
C106 H106 1.0000 . ?
C106 C107 1.574(16) . ?
C106 C108 1.502(15) . ?
C107 H10G 0.9800 . ?
C107 H10H 0.9800 . ?
C107 H10I 0.9800 . ?
C108 H10J 0.9800 . ?
C108 H10K 0.9800 . ?
C108 H10L 0.9800 . ?
C109 H109 1.0000 . ?
C109 C110 1.452(12) . ?
C109 C111 1.535(12) . ?
C110 H11A 0.9800 . ?
C110 H11B 0.9800 . ?
C110 H11C 0.9800 . ?
C111 H11D 0.9800 . ?
C111 H11E 0.9800 . ?
C111 H11F 0.9800 . ?
C112 C113 1.380(7) . ?
C112 C117 1.391(7) . ?
C113 H113 0.9500 . ?
C113 C114 1.393(7) . ?
C114 C115 1.389(7) . ?
C114 C118 1.544(7) . ?
C115 H115 0.9500 . ?
C115 C116 1.402(7) . ?
C116 C117 1.393(7) . ?
C116 C122 1.531(7) . ?
C117 H117 0.9500 . ?
C118 C119 1.524(9) . ?
C118 C120 1.528(8) . ?
C118 C121 1.534(7) . ?
C119 H11G 0.9800 . ?
C119 H11H 0.9800 . ?
C119 H11I 0.9800 . ?
C120 H12A 0.9800 . ?
C120 H12B 0.9800 . ?
C120 H12C 0.9800 . ?
C121 H12D 0.9800 . ?
C121 H12E 0.9800 . ?
C121 H12F 0.9800 . ?
C122 C123 1.524(9) . ?
C122 C124 1.541(9) . ?
C122 C125 1.521(9) . ?
C123 H12G 0.9800 . ?
C123 H12H 0.9800 . ?
C123 H12I 0.9800 . ?
C124 H12J 0.9800 . ?
C124 H12K 0.9800 . ?
C124 H12L 0.9800 . ?
C125 H12M 0.9800 . ?
C125 H12N 0.9800 . ?
C125 H12O 0.9800 . ?
C126 C127 1.403(7) . ?
C126 C131 1.385(7) . ?
C127 H127 0.9500 . ?
C127 C128 1.383(7) . ?
C128 C129 1.398(7) . ?
C128 C132 1.541(10) . ?
C128 C232 1.567(14) . ?
C129 H129 0.9500 . ?
C129 C130 1.395(7) . ?
C130 C131 1.388(7) . ?
C130 C136 1.526(7) . ?
C131 H131 0.9500 . ?
C132 C133 1.496(15) . ?
C132 C134 1.551(14) . ?
C132 C135 1.524(11) . ?
C133 H13A 0.9800 . ?
C133 H13B 0.9800 . ?
C133 H13C 0.9800 . ?
C134 H13D 0.9800 . ?
C134 H13E 0.9800 . ?
C134 H13F 0.9800 . ?
C135 H13G 0.9800 . ?
C135 H13H 0.9800 . ?
C135 H13I 0.9800 . ?
C136 C137 1.537(7) . ?
C136 C138 1.525(9) . ?
C136 C139 1.533(9) . ?
C137 H13J 0.9800 . ?
C137 H13K 0.9800 . ?
C137 H13L 0.9800 . ?
C138 H13M 0.9800 . ?
C138 H13N 0.9800 . ?
C138 H13O 0.9800 . ?
C139 H13P 0.9800 . ?
C139 H13Q 0.9800 . ?
C139 H13R 0.9800 . ?
C140 C141 1.169(8) . ?
C141 H141 0.9500 . ?
Co3 P81B 2.194(8) . ?
Co3 P82B 2.139(7) . ?
Co3 P83B 2.135(8) . ?
Co3 C254 2.08(7) . ?
Co3 C255 2.12(2) . ?
Co3 C256 2.09(3) . ?
Co3 C257 2.08(2) . ?
Co3 C258 2.08(2) . ?
P81B O81B 1.508(11) . ?
P81B O84B 1.627(17) . ?
P81B O85B 1.588(13) . ?
P82B O82B 1.524(11) . ?
P82B O86B 1.596(14) . ?
P82B O87B 1.614(16) . ?
P83B O83B 1.486(10) . ?
P83B O88B 1.668(14) . ?
P83B O89B 1.607(12) . ?
O84B C242 1.47(2) . ?
O85B C244 1.39(2) . ?
O86B C246 1.47(2) . ?
O87B C248 1.43(2) . ?
O88B C250 1.45(2) . ?
O89B C252 1.432(19) . ?
C242 H24A 0.9900 . ?
C242 H24B 0.9900 . ?
C242 C243 1.46(2) . ?
C243 H24C 0.9800 . ?
C243 H24D 0.9800 . ?
C243 H24E 0.9800 . ?
C244 H24F 0.9900 . ?
C244 H24G 0.9900 . ?
C244 C245 1.55(2) . ?
C245 H24H 0.9800 . ?
C245 H24I 0.9800 . ?
C245 H24J 0.9800 . ?
C246 H24K 0.9900 . ?
C246 H24L 0.9900 . ?
C246 C247 1.39(2) . ?
C247 H24M 0.9800 . ?
C247 H24N 0.9800 . ?
C247 H24O 0.9800 . ?
C248 H24P 0.9900 . ?
C248 H24Q 0.9900 . ?
C248 C249 1.50(2) . ?
C249 H24R 0.9800 . ?
C249 H24S 0.9800 . ?
C249 H24T 0.9800 . ?
C250 H25A 0.9900 . ?
C250 H25B 0.9900 . ?
C250 C251 1.49(2) . ?
C251 H25C 0.9800 . ?
C251 H25D 0.9800 . ?
C251 H25E 0.9800 . ?
C252 H25F 0.9900 . ?
C252 H25G 0.9900 . ?
C252 C253 1.47(2) . ?
C253 H25H 0.9800 . ?
C253 H25I 0.9800 . ?
C253 H25J 0.9800 . ?
C254 H254 0.9500 . ?
C254 C255 1.399(17) . ?
C254 C258 1.37(2) . ?
C255 H255 0.9500 . ?
C255 C256 1.402(15) . ?
C256 H256 0.9500 . ?
C256 C257 1.424(15) . ?
C257 H257 0.9500 . ?
C257 C258 1.370(18) . ?
C258 H258 0.9500 . ?
Dy1 O1 2.281(4) . ?
Dy1 O2 2.278(4) . ?
Dy1 O3 2.283(4) . ?
Dy1 N1 2.401(4) . ?
Dy1 N2 2.397(4) . ?
Dy1 N3 2.380(4) . ?
Dy1 N4 2.388(4) . ?
Co1 P1 2.1575(17) . ?
Co1 P2 2.1723(19) . ?
Co1 P3 2.1611(17) . ?
Co1 C74 2.061(7) . ?
Co1 C75 2.073(6) . ?
Co1 C76 2.066(6) . ?
Co1 C77 2.075(7) . ?
Co1 C78 2.075(7) . ?
P1 O1 1.512(4) . ?
P1 O4 1.603(5) . ?
P1 O5 1.612(5) . ?
P2 O2 1.505(4) . ?
P2 O6 1.610(4) . ?
P2 O7 1.605(5) . ?
P3 O3 1.505(4) . ?
P3 O8 1.611(4) . ?
P3 O9 1.610(5) . ?
Si1 C22 1.830(6) . ?
Si1 C23 1.882(7) . ?
Si1 C26 1.905(8) . ?
Si1 C29 1.912(12) . ?
Si1 C29A 1.894(11) . ?
O4 C62 1.431(8) . ?
O5 C64 1.446(8) . ?
O6 C66 1.418(7) . ?
O7 C68 1.464(8) . ?
O8 C70 1.417(9) . ?
O9 C72 1.462(8) . ?
N1 C1 1.378(6) . ?
N1 C4 1.356(7) . ?
N2 C6 1.362(6) . ?
N2 C9 1.392(6) . ?
N3 C11 1.374(6) . ?
N3 C14 1.361(7) . ?
N4 C16 1.354(7) . ?
N4 C19 1.387(6) . ?
C1 C2 1.446(7) . ?
C1 C20 1.397(8) . ?
C2 H2 0.9500 . ?
C2 C3 1.341(8) . ?
C3 H3 0.9500 . ?
C3 C4 1.445(7) . ?
C4 C5 1.414(7) . ?
C5 C6 1.420(7) . ?
C5 C21 1.435(8) . ?
C6 C7 1.439(7) . ?
C7 H7 0.9500 . ?
C7 C8 1.357(7) . ?
C8 H8 0.9500 . ?
C8 C9 1.427(7) . ?
C9 C10 1.416(7) . ?
C10 C11 1.410(7) . ?
C10 C32 1.499(7) . ?
C11 C12 1.440(7) . ?
C12 H12 0.9500 . ?
C12 C13 1.348(8) . ?
C13 H13 0.9500 . ?
C13 C14 1.447(7) . ?
C14 C15 1.410(7) . ?
C15 C16 1.417(7) . ?
C15 C60 1.437(8) . ?
C16 C17 1.446(7) . ?
C17 H17 0.9500 . ?
C17 C18 1.345(8) . ?
C18 H18 0.9500 . ?
C18 C19 1.438(8) . ?
C19 C20 1.410(7) . ?
C20 C46 1.504(7) . ?
C21 C22 1.200(8) . ?
C23 H23 1.0000 . ?
C23 C24 1.515(11) . ?
C23 C25 1.515(11) . ?
C24 H24U 0.9800 . ?
C24 H24V 0.9800 . ?
C24 H24W 0.9800 . ?
C25 H25K 0.9800 . ?
C25 H25L 0.9800 . ?
C25 H25M 0.9800 . ?
C26 H26 1.0000 . ?
C26 C27 1.516(12) . ?
C26 C28 1.524(11) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29 1.0000 . ?
C29 C30 1.507(16) . ?
C29 C31 1.501(15) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 C33 1.391(7) . ?
C32 C37 1.396(7) . ?
C33 H33 0.9500 . ?
C33 C34 1.389(7) . ?
C34 C35 1.408(7) . ?
C34 C38 1.526(7) . ?
C35 H35 0.9500 . ?
C35 C36 1.400(7) . ?
C36 C37 1.387(7) . ?
C36 C42 1.535(7) . ?
C37 H37 0.9500 . ?
C38 C39 1.527(8) . ?
C38 C40 1.539(9) . ?
C38 C41 1.531(8) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 C43 1.504(8) . ?
C42 C44 1.513(11) . ?
C42 C45 1.532(11) . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 C47 1.384(7) . ?
C46 C51 1.386(7) . ?
C47 H47 0.9500 . ?
C47 C48 1.391(8) . ?
C48 C49 1.392(8) . ?
C48 C52 1.544(10) . ?
C48 C52A 1.566(15) . ?
C49 H49 0.9500 . ?
C49 C50 1.385(8) . ?
C50 C51 1.390(7) . ?
C50 C56 1.544(8) . ?
C51 H51 0.9500 . ?
C52 C53 1.499(14) . ?
C52 C54 1.531(14) . ?
C52 C55 1.516(11) . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 C57 1.529(8) . ?
C56 C58 1.527(9) . ?
C56 C59 1.525(9) . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 C61 1.166(8) . ?
C61 H61 0.9500 . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C62 C63 1.483(10) . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C64 C65 1.499(10) . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C66 C67 1.526(10) . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
C68 H68A 0.9900 . ?
C68 H68B 0.9900 . ?
C68 C69 1.443(10) . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C70 H70A 0.9900 . ?
C70 H70B 0.9900 . ?
C70 C71 1.454(11) . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C72 H72A 0.9900 . ?
C72 H72B 0.9900 . ?
C72 C73 1.470(10) . ?
C73 H73A 0.9800 . ?
C73 H73B 0.9800 . ?
C73 H73C 0.9800 . ?
C74 H74 0.9500 . ?
C74 C75 1.427(10) . ?
C74 C78 1.343(11) . ?
C75 H75 0.9500 . ?
C75 C76 1.421(10) . ?
C76 H76 0.9500 . ?
C76 C77 1.421(11) . ?
C77 H77 0.9500 . ?
C77 C78 1.365(12) . ?
C78 H78 0.9500 . ?
C29A H29A 1.0000 . ?
C29A C30A 1.508(14) . ?
C29A C31A 1.484(14) . ?
C30A H30D 0.9800 . ?
C30A H30E 0.9800 . ?
C30A H30F 0.9800 . ?
C31A H31D 0.9800 . ?
C31A H31E 0.9800 . ?
C31A H31F 0.9800 . ?
C52A C53A 1.49(2) . ?
C52A C54A 1.53(2) . ?
C52A C55A 1.529(17) . ?
C53A H53D 0.9800 . ?
C53A H53E 0.9800 . ?
C53A H53F 0.9800 . ?
C54A H54D 0.9800 . ?
C54A H54E 0.9800 . ?
C54A H54F 0.9800 . ?
C55A H55D 0.9800 . ?
C55A H55E 0.9800 . ?
C55A H55F 0.9800 . ?
C232 C233 1.504(19) . ?
C232 C234 1.547(19) . ?
C232 C235 1.535(17) . ?
C233 H23A 0.9800 . ?
C233 H23B 0.9800 . ?
C233 H23C 0.9800 . ?
C234 H23D 0.9800 . ?
C234 H23E 0.9800 . ?
C234 H23F 0.9800 . ?
C235 H23G 0.9800 . ?
C235 H23H 0.9800 . ?
C235 H23I 0.9800 . ?
C206 H206 1.0000 . ?
C206 C207 1.58(2) . ?
C206 C208 1.52(2) . ?
C207 H20A 0.9800 . ?
C207 H20B 0.9800 . ?
C207 H20C 0.9800 . ?
C208 H20D 0.9800 . ?
C208 H20E 0.9800 . ?
C208 H20F 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O81 Dy2 O83 81.52(18) . . ?
O81 Dy2 N81 137.57(16) . . ?
O81 Dy2 N82 77.28(15) . . ?
O81 Dy2 N83 83.12(16) . . ?
O81 Dy2 N84 146.98(16) . . ?
O82 Dy2 O81 79.56(17) . . ?
O82 Dy2 O83 80.02(18) . . ?
O82 Dy2 N81 127.90(16) . . ?
O82 Dy2 N82 156.05(16) . . ?
O82 Dy2 N83 95.70(16) . . ?
O82 Dy2 N84 78.23(15) . . ?
O83 Dy2 N81 74.15(15) . . ?
O83 Dy2 N82 102.37(17) . . ?
O83 Dy2 N83 164.56(16) . . ?
O83 Dy2 N84 117.92(16) . . ?
N82 Dy2 N81 74.76(13) . . ?
N82 Dy2 N83 75.61(14) . . ?
N83 Dy2 N81 119.12(13) . . ?
N84 Dy2 N81 75.38(14) . . ?
N84 Dy2 N82 119.54(13) . . ?
N84 Dy2 N83 75.14(14) . . ?
O81B Dy2 N81 91.0(3) . . ?
O81B Dy2 N82 80.6(3) . . ?
O81B Dy2 N83 133.9(3) . . ?
O81B Dy2 N84 150.2(3) . . ?
O81B Dy2 O82B 80.7(5) . . ?
O81B Dy2 O83B 76.8(4) . . ?
O82B Dy2 N81 164.8(3) . . ?
O82B Dy2 N82 115.9(4) . . ?
O82B Dy2 N83 75.3(3) . . ?
O82B Dy2 N84 105.9(4) . . ?
O82B Dy2 O83B 79.8(4) . . ?
O83B Dy2 N81 85.9(3) . . ?
O83B Dy2 N82 149.9(3) . . ?
O83B Dy2 N83 134.5(3) . . ?
O83B Dy2 N84 76.0(3) . . ?
P81 Co2 P82 93.37(9) . . ?
P81 Co2 P83 90.84(9) . . ?
P83 Co2 P82 91.91(9) . . ?
C154 Co2 P81 94.4(3) . . ?
C154 Co2 P82 152.0(3) . . ?
C154 Co2 P83 114.8(3) . . ?
C154 Co2 C157 65.3(4) . . ?
C154 Co2 C158 38.8(5) . . ?
C155 Co2 P81 94.4(3) . . ?
C155 Co2 P82 112.9(3) . . ?
C155 Co2 P83 154.2(3) . . ?
C155 Co2 C154 39.7(4) . . ?
C155 Co2 C157 66.5(4) . . ?
C155 Co2 C158 66.2(6) . . ?
C156 Co2 P81 127.7(3) . . ?
C156 Co2 P82 87.5(3) . . ?
C156 Co2 P83 141.4(3) . . ?
C156 Co2 C154 66.6(4) . . ?
C156 Co2 C155 39.8(4) . . ?
C156 Co2 C157 40.5(4) . . ?
C156 Co2 C158 66.8(6) . . ?
C157 Co2 P81 158.8(3) . . ?
C157 Co2 P82 102.3(3) . . ?
C157 Co2 P83 102.6(3) . . ?
C158 Co2 P81 126.5(4) . . ?
C158 Co2 P82 140.1(4) . . ?
C158 Co2 P83 90.5(5) . . ?
C158 Co2 C157 38.7(5) . . ?
O81 P81 Co2 117.6(2) . . ?
O81 P81 O84 109.7(4) . . ?
O81 P81 O85 107.5(3) . . ?
O84 P81 Co2 108.0(3) . . ?
O85 P81 Co2 114.0(2) . . ?
O85 P81 O84 98.3(4) . . ?
O82 P82 Co2 119.6(2) . . ?
O82 P82 O86 108.3(3) . . ?
O82 P82 O87 106.9(3) . . ?
O86 P82 Co2 108.1(3) . . ?
O86 P82 O87 101.0(4) . . ?
O87 P82 Co2 111.3(2) . . ?
O83 P83 Co2 118.8(2) . . ?
O83 P83 O88 110.0(3) . . ?
O83 P83 O89 106.7(5) . . ?
O88 P83 Co2 105.4(2) . . ?
O88 P83 O89 102.5(4) . . ?
O89 P83 Co2 112.3(4) . . ?
P81 O81 Dy2 133.6(3) . . ?
P82 O82 Dy2 133.9(3) . . ?
P83 O83 Dy2 134.8(3) . . ?
C142 O84 P81 117.2(7) . . ?
C144 O85 P81 120.3(5) . . ?
C146 O86 P82 120.3(8) . . ?
C148 O87 P82 122.9(6) . . ?
C150 O88 P83 118.7(6) . . ?
C152 O89 P83 125.4(9) . . ?
O84 C142 H14A 109.7 . . ?
O84 C142 H14B 109.7 . . ?
H14A C142 H14B 108.2 . . ?
C143 C142 O84 109.6(10) . . ?
C143 C142 H14A 109.7 . . ?
C143 C142 H14B 109.7 . . ?
C142 C143 H14C 109.5 . . ?
C142 C143 H14D 109.5 . . ?
C142 C143 H14E 109.5 . . ?
H14C C143 H14D 109.5 . . ?
H14C C143 H14E 109.5 . . ?
H14D C143 H14E 109.5 . . ?
O85 C144 H14F 110.0 . . ?
O85 C144 H14G 110.0 . . ?
O85 C144 C145 108.5(9) . . ?
H14F C144 H14G 108.4 . . ?
C145 C144 H14F 110.0 . . ?
C145 C144 H14G 110.0 . . ?
C144 C145 H14H 109.5 . . ?
C144 C145 H14I 109.5 . . ?
C144 C145 H14J 109.5 . . ?
H14H C145 H14I 109.5 . . ?
H14H C145 H14J 109.5 . . ?
H14I C145 H14J 109.5 . . ?
O86 C146 H14K 109.7 . . ?
O86 C146 H14L 109.7 . . ?
H14K C146 H14L 108.2 . . ?
C147 C146 O86 110.0(12) . . ?
C147 C146 H14K 109.7 . . ?
C147 C146 H14L 109.7 . . ?
C146 C147 H14M 109.5 . . ?
C146 C147 H14N 109.5 . . ?
C146 C147 H14O 109.5 . . ?
H14M C147 H14N 109.5 . . ?
H14M C147 H14O 109.5 . . ?
H14N C147 H14O 109.5 . . ?
O87 C148 H14P 109.6 . . ?
O87 C148 H14Q 109.6 . . ?
O87 C148 C149 110.3(8) . . ?
H14P C148 H14Q 108.1 . . ?
C149 C148 H14P 109.6 . . ?
C149 C148 H14Q 109.6 . . ?
C148 C149 H14R 109.5 . . ?
C148 C149 H14S 109.5 . . ?
C148 C149 H14T 109.5 . . ?
H14R C149 H14S 109.5 . . ?
H14R C149 H14T 109.5 . . ?
H14S C149 H14T 109.5 . . ?
O88 C150 H15A 110.2 . . ?
O88 C150 H15B 110.2 . . ?
O88 C150 C151 107.8(11) . . ?
H15A C150 H15B 108.5 . . ?
C151 C150 H15A 110.2 . . ?
C151 C150 H15B 110.2 . . ?
C150 C151 H15C 109.5 . . ?
C150 C151 H15D 109.5 . . ?
C150 C151 H15E 109.5 . . ?
H15C C151 H15D 109.5 . . ?
H15C C151 H15E 109.5 . . ?
H15D C151 H15E 109.5 . . ?
O89 C152 H15F 108.9 . . ?
O89 C152 H15G 108.9 . . ?
O89 C152 C153 113.4(10) . . ?
H15F C152 H15G 107.7 . . ?
C153 C152 H15F 108.9 . . ?
C153 C152 H15G 108.9 . . ?
C152 C153 H15H 109.5 . . ?
C152 C153 H15I 109.5 . . ?
C152 C153 H15J 109.5 . . ?
H15H C153 H15I 109.5 . . ?
H15H C153 H15J 109.5 . . ?
H15I C153 H15J 109.5 . . ?
Co2 C154 H154 125.2 . . ?
C155 C154 Co2 70.1(5) . . ?
C155 C154 H154 125.5 . . ?
C158 C154 Co2 70.8(11) . . ?
C158 C154 H154 125.5 . . ?
C158 C154 C155 109.0(11) . . ?
Co2 C155 H155 125.2 . . ?
C154 C155 Co2 70.2(5) . . ?
C154 C155 H155 126.1 . . ?
C154 C155 C156 107.7(10) . . ?
C156 C155 Co2 70.0(6) . . ?
C156 C155 H155 126.1 . . ?
Co2 C156 H156 124.3 . . ?
C155 C156 Co2 70.2(6) . . ?
C155 C156 H156 126.9 . . ?
C155 C156 C157 106.3(9) . . ?
C157 C156 Co2 70.2(6) . . ?
C157 C156 H156 126.9 . . ?
Co2 C157 H157 125.9 . . ?
C156 C157 Co2 69.3(6) . . ?
C156 C157 H157 125.8 . . ?
C158 C157 Co2 70.5(11) . . ?
C158 C157 C156 108.3(10) . . ?
C158 C157 H157 125.8 . . ?
Co2 C158 H158 124.8 . . ?
C154 C158 Co2 70.4(10) . . ?
C154 C158 H158 125.6 . . ?
C157 C158 Co2 70.8(9) . . ?
C157 C158 C154 108.7(12) . . ?
C157 C158 H158 125.6 . . ?
C102 Si81 C103 107.3(3) . . ?
C102 Si81 C106 112.6(5) . . ?
C102 Si81 C109 108.3(3) . . ?
C102 Si81 C206 103.1(8) . . ?
C103 Si81 C206 103.0(8) . . ?
C106 Si81 C103 114.0(5) . . ?
C106 Si81 C109 107.4(5) . . ?
C109 Si81 C103 106.9(4) . . ?
C109 Si81 C206 126.9(9) . . ?
C81 N81 Dy2 119.4(3) . . ?
C84 N81 Dy2 121.3(3) . . ?
C84 N81 C81 106.5(4) . . ?
C86 N82 Dy2 125.0(3) . . ?
C86 N82 C89 106.1(4) . . ?
C89 N82 Dy2 125.3(3) . . ?
C91 N83 Dy2 124.3(3) . . ?
C91 N83 C94 106.6(4) . . ?
C94 N83 Dy2 124.5(3) . . ?
C96 N84 Dy2 125.7(3) . . ?
C96 N84 C99 106.8(4) . . ?
C99 N84 Dy2 123.6(3) . . ?
N81 C81 C82 109.1(4) . . ?
N81 C81 C100 124.9(5) . . ?
C100 C81 C82 126.0(4) . . ?
C81 C82 H82 126.5 . . ?
C83 C82 C81 107.0(4) . . ?
C83 C82 H82 126.5 . . ?
C82 C83 H83 126.4 . . ?
C82 C83 C84 107.2(5) . . ?
C84 C83 H83 126.4 . . ?
N81 C84 C83 110.1(4) . . ?
N81 C84 C85 124.4(5) . . ?
C85 C84 C83 125.5(5) . . ?
C84 C85 C101 117.4(5) . . ?
C86 C85 C84 126.7(5) . . ?
C86 C85 C101 115.8(5) . . ?
N82 C86 C85 124.8(5) . . ?
N82 C86 C87 109.7(5) . . ?
C85 C86 C87 125.5(5) . . ?
C86 C87 H87 126.4 . . ?
C88 C87 C86 107.2(5) . . ?
C88 C87 H87 126.4 . . ?
C87 C88 H88 126.4 . . ?
C87 C88 C89 107.1(5) . . ?
C89 C88 H88 126.4 . . ?
N82 C89 C88 109.9(5) . . ?
N82 C89 C90 125.0(5) . . ?
C90 C89 C88 124.9(5) . . ?
C89 C90 C112 116.6(5) . . ?
C91 C90 C89 127.1(5) . . ?
C91 C90 C112 115.9(5) . . ?
N83 C91 C90 125.2(5) . . ?
N83 C91 C92 109.2(4) . . ?
C90 C91 C92 125.3(5) . . ?
C91 C92 H92 126.2 . . ?
C93 C92 C91 107.7(5) . . ?
C93 C92 H92 126.2 . . ?
C92 C93 H93 126.2 . . ?
C92 C93 C94 107.5(5) . . ?
C94 C93 H93 126.2 . . ?
N83 C94 C93 109.0(4) . . ?
N83 C94 C95 125.2(5) . . ?
C95 C94 C93 125.6(5) . . ?
C94 C95 C96 126.2(5) . . ?
C94 C95 C140 117.6(5) . . ?
C96 C95 C140 116.0(5) . . ?
N84 C96 C95 125.9(5) . . ?
N84 C96 C97 109.5(4) . . ?
C95 C96 C97 124.5(5) . . ?
C96 C97 H97 126.6 . . ?
C98 C97 C96 106.9(5) . . ?
C98 C97 H97 126.6 . . ?
C97 C98 H98 126.1 . . ?
C97 C98 C99 107.9(5) . . ?
C99 C98 H98 126.1 . . ?
N84 C99 C98 108.9(4) . . ?
N84 C99 C100 125.5(4) . . ?
C100 C99 C98 125.5(4) . . ?
C81 C100 C126 118.7(5) . . ?
C99 C100 C81 126.2(4) . . ?
C99 C100 C126 115.1(4) . . ?
C102 C101 C85 177.6(6) . . ?
C101 C102 Si81 175.4(5) . . ?
Si81 C103 H103 107.8 . . ?
C104 C103 Si81 111.1(6) . . ?
C104 C103 H103 107.8 . . ?
C105 C103 Si81 112.6(6) . . ?
C105 C103 H103 107.8 . . ?
C105 C103 C104 109.5(7) . . ?
C103 C104 H10A 109.5 . . ?
C103 C104 H10B 109.5 . . ?
C103 C104 H10C 109.5 . . ?
H10A C104 H10B 109.5 . . ?
H10A C104 H10C 109.5 . . ?
H10B C104 H10C 109.5 . . ?
C103 C105 H10D 109.5 . . ?
C103 C105 H10E 109.5 . . ?
C103 C105 H10F 109.5 . . ?
H10D C105 H10E 109.5 . . ?
H10D C105 H10F 109.5 . . ?
H10E C105 H10F 109.5 . . ?
Si81 C106 H106 110.4 . . ?
C107 C106 Si81 111.3(10) . . ?
C107 C106 H106 110.4 . . ?
C108 C106 Si81 109.6(9) . . ?
C108 C106 H106 110.4 . . ?
C108 C106 C107 104.5(13) . . ?
C106 C107 H10G 109.5 . . ?
C106 C107 H10H 109.5 . . ?
C106 C107 H10I 109.5 . . ?
H10G C107 H10H 109.5 . . ?
H10G C107 H10I 109.5 . . ?
H10H C107 H10I 109.5 . . ?
C106 C108 H10J 109.5 . . ?
C106 C108 H10K 109.5 . . ?
C106 C108 H10L 109.5 . . ?
H10J C108 H10K 109.5 . . ?
H10J C108 H10L 109.5 . . ?
H10K C108 H10L 109.5 . . ?
Si81 C109 H109 104.9 . . ?
C110 C109 Si81 115.4(7) . . ?
C110 C109 H109 104.9 . . ?
C110 C109 C111 114.3(8) . . ?
C111 C109 Si81 111.2(6) . . ?
C111 C109 H109 104.9 . . ?
C109 C110 H11A 109.5 . . ?
C109 C110 H11B 109.5 . . ?
C109 C110 H11C 109.5 . . ?
H11A C110 H11B 109.5 . . ?
H11A C110 H11C 109.5 . . ?
H11B C110 H11C 109.5 . . ?
C109 C111 H11D 109.5 . . ?
C109 C111 H11E 109.5 . . ?
C109 C111 H11F 109.5 . . ?
H11D C111 H11E 109.5 . . ?
H11D C111 H11F 109.5 . . ?
H11E C111 H11F 109.5 . . ?
C113 C112 C90 119.9(5) . . ?
C113 C112 C117 119.5(5) . . ?
C117 C112 C90 120.4(5) . . ?
C112 C113 H113 119.2 . . ?
C112 C113 C114 121.5(5) . . ?
C114 C113 H113 119.2 . . ?
C113 C114 C118 119.1(5) . . ?
C115 C114 C113 117.7(5) . . ?
C115 C114 C118 123.2(5) . . ?
C114 C115 H115 118.8 . . ?
C114 C115 C116 122.5(5) . . ?
C116 C115 H115 118.8 . . ?
C115 C116 C122 123.0(5) . . ?
C117 C116 C115 117.6(5) . . ?
C117 C116 C122 119.3(5) . . ?
C112 C117 C116 121.1(5) . . ?
C112 C117 H117 119.5 . . ?
C116 C117 H117 119.5 . . ?
C119 C118 C114 109.7(5) . . ?
C119 C118 C120 109.3(5) . . ?
C119 C118 C121 109.2(5) . . ?
C120 C118 C114 109.6(5) . . ?
C120 C118 C121 107.5(5) . . ?
C121 C118 C114 111.6(5) . . ?
C118 C119 H11G 109.5 . . ?
C118 C119 H11H 109.5 . . ?
C118 C119 H11I 109.5 . . ?
H11G C119 H11H 109.5 . . ?
H11G C119 H11I 109.5 . . ?
H11H C119 H11I 109.5 . . ?
C118 C120 H12A 109.5 . . ?
C118 C120 H12B 109.5 . . ?
C118 C120 H12C 109.5 . . ?
H12A C120 H12B 109.5 . . ?
H12A C120 H12C 109.5 . . ?
H12B C120 H12C 109.5 . . ?
C118 C121 H12D 109.5 . . ?
C118 C121 H12E 109.5 . . ?
C118 C121 H12F 109.5 . . ?
H12D C121 H12E 109.5 . . ?
H12D C121 H12F 109.5 . . ?
H12E C121 H12F 109.5 . . ?
C116 C122 C124 107.6(5) . . ?
C123 C122 C116 111.9(5) . . ?
C123 C122 C124 109.4(6) . . ?
C125 C122 C116 110.2(5) . . ?
C125 C122 C123 107.5(6) . . ?
C125 C122 C124 110.2(5) . . ?
C122 C123 H12G 109.5 . . ?
C122 C123 H12H 109.5 . . ?
C122 C123 H12I 109.5 . . ?
H12G C123 H12H 109.5 . . ?
H12G C123 H12I 109.5 . . ?
H12H C123 H12I 109.5 . . ?
C122 C124 H12J 109.5 . . ?
C122 C124 H12K 109.5 . . ?
C122 C124 H12L 109.5 . . ?
H12J C124 H12K 109.5 . . ?
H12J C124 H12L 109.5 . . ?
H12K C124 H12L 109.5 . . ?
C122 C125 H12M 109.5 . . ?
C122 C125 H12N 109.5 . . ?
C122 C125 H12O 109.5 . . ?
H12M C125 H12N 109.5 . . ?
H12M C125 H12O 109.5 . . ?
H12N C125 H12O 109.5 . . ?
C127 C126 C100 119.8(4) . . ?
C131 C126 C100 121.9(4) . . ?
C131 C126 C127 118.3(4) . . ?
C126 C127 H127 119.2 . . ?
C128 C127 C126 121.7(5) . . ?
C128 C127 H127 119.2 . . ?
C127 C128 C129 117.7(5) . . ?
C127 C128 C132 117.7(5) . . ?
C127 C128 C232 123.7(8) . . ?
C129 C128 C132 124.5(5) . . ?
C129 C128 C232 117.5(8) . . ?
C128 C129 H129 118.6 . . ?
C130 C129 C128 122.7(5) . . ?
C130 C129 H129 118.6 . . ?
C129 C130 C136 123.6(4) . . ?
C131 C130 C129 117.3(5) . . ?
C131 C130 C136 119.1(4) . . ?
C126 C131 C130 122.4(5) . . ?
C126 C131 H131 118.8 . . ?
C130 C131 H131 118.8 . . ?
C128 C132 C134 109.9(8) . . ?
C133 C132 C128 108.0(8) . . ?
C133 C132 C134 109.2(8) . . ?
C133 C132 C135 111.4(10) . . ?
C135 C132 C128 110.7(7) . . ?
C135 C132 C134 107.7(9) . . ?
C132 C133 H13A 109.5 . . ?
C132 C133 H13B 109.5 . . ?
C132 C133 H13C 109.5 . . ?
H13A C133 H13B 109.5 . . ?
H13A C133 H13C 109.5 . . ?
H13B C133 H13C 109.5 . . ?
C132 C134 H13D 109.5 . . ?
C132 C134 H13E 109.5 . . ?
C132 C134 H13F 109.5 . . ?
H13D C134 H13E 109.5 . . ?
H13D C134 H13F 109.5 . . ?
H13E C134 H13F 109.5 . . ?
C132 C135 H13G 109.5 . . ?
C132 C135 H13H 109.5 . . ?
C132 C135 H13I 109.5 . . ?
H13G C135 H13H 109.5 . . ?
H13G C135 H13I 109.5 . . ?
H13H C135 H13I 109.5 . . ?
C130 C136 C137 112.0(4) . . ?
C130 C136 C139 108.6(5) . . ?
C138 C136 C130 109.5(5) . . ?
C138 C136 C137 109.2(5) . . ?
C138 C136 C139 110.1(6) . . ?
C139 C136 C137 107.3(5) . . ?
C136 C137 H13J 109.5 . . ?
C136 C137 H13K 109.5 . . ?
C136 C137 H13L 109.5 . . ?
H13J C137 H13K 109.5 . . ?
H13J C137 H13L 109.5 . . ?
H13K C137 H13L 109.5 . . ?
C136 C138 H13M 109.5 . . ?
C136 C138 H13N 109.5 . . ?
C136 C138 H13O 109.5 . . ?
H13M C138 H13N 109.5 . . ?
H13M C138 H13O 109.5 . . ?
H13N C138 H13O 109.5 . . ?
C136 C139 H13P 109.5 . . ?
C136 C139 H13Q 109.5 . . ?
C136 C139 H13R 109.5 . . ?
H13P C139 H13Q 109.5 . . ?
H13P C139 H13R 109.5 . . ?
H13Q C139 H13R 109.5 . . ?
C141 C140 C95 178.5(6) . . ?
C140 C141 H141 180.0 . . ?
P82B Co3 P81B 92.7(3) . . ?
P83B Co3 P81B 93.6(2) . . ?
P83B Co3 P82B 92.5(3) . . ?
C254 Co3 P81B 89.3(14) . . ?
C254 Co3 P82B 133.8(9) . . ?
C254 Co3 P83B 133.5(9) . . ?
C254 Co3 C255 38.8(8) . . ?
C254 Co3 C256 64.7(14) . . ?
C255 Co3 P81B 106.1(8) . . ?
C255 Co3 P82B 97.2(8) . . ?
C255 Co3 P83B 157.5(8) . . ?
C256 Co3 P81B 144.8(9) . . ?
C256 Co3 P82B 89.6(8) . . ?
C256 Co3 P83B 121.4(8) . . ?
C256 Co3 C255 38.9(5) . . ?
C257 Co3 P81B 147.7(8) . . ?
C257 Co3 P82B 119.0(8) . . ?
C257 Co3 P83B 91.5(7) . . ?
C257 Co3 C254 64.6(13) . . ?
C257 Co3 C255 66.0(8) . . ?
C257 Co3 C256 39.9(6) . . ?
C258 Co3 P81B 109.3(7) . . ?
C258 Co3 P82B 154.6(6) . . ?
C258 Co3 P83B 98.3(7) . . ?
C258 Co3 C254 38.4(9) . . ?
C258 Co3 C255 65.3(8) . . ?
C258 Co3 C256 65.2(9) . . ?
C258 Co3 C257 38.4(5) . . ?
O81B P81B Co3 118.1(6) . . ?
O81B P81B O84B 108.9(13) . . ?
O81B P81B O85B 107.9(9) . . ?
O84B P81B Co3 105.7(10) . . ?
O85B P81B Co3 112.7(8) . . ?
O85B P81B O84B 102.3(13) . . ?
O82B P82B Co3 118.5(6) . . ?
O82B P82B O86B 107.3(8) . . ?
O82B P82B O87B 105.0(10) . . ?
O86B P82B Co3 109.1(7) . . ?
O86B P82B O87B 103.4(11) . . ?
O87B P82B Co3 112.3(10) . . ?
O83B P83B Co3 118.9(6) . . ?
O83B P83B O88B 107.5(9) . . ?
O83B P83B O89B 107.1(7) . . ?
O88B P83B Co3 107.1(8) . . ?
O89B P83B Co3 115.4(7) . . ?
O89B P83B O88B 98.6(10) . . ?
P81B O81B Dy2 138.0(8) . . ?
P82B O82B Dy2 135.1(8) . . ?
P83B O83B Dy2 133.7(7) . . ?
C242 O84B P81B 116(2) . . ?
C244 O85B P81B 118(2) . . ?
C246 O86B P82B 116.1(15) . . ?
C248 O87B P82B 127(3) . . ?
C250 O88B P83B 115.2(17) . . ?
C252 O89B P83B 122.8(15) . . ?
O84B C242 H24A 109.8 . . ?
O84B C242 H24B 109.8 . . ?
H24A C242 H24B 108.3 . . ?
C243 C242 O84B 109(2) . . ?
C243 C242 H24A 109.8 . . ?
C243 C242 H24B 109.8 . . ?
C242 C243 H24C 109.5 . . ?
C242 C243 H24D 109.5 . . ?
C242 C243 H24E 109.5 . . ?
H24C C243 H24D 109.5 . . ?
H24C C243 H24E 109.5 . . ?
H24D C243 H24E 109.5 . . ?
O85B C244 H24F 109.5 . . ?
O85B C244 H24G 109.5 . . ?
O85B C244 C245 111(3) . . ?
H24F C244 H24G 108.1 . . ?
C245 C244 H24F 109.5 . . ?
C245 C244 H24G 109.5 . . ?
C244 C245 H24H 109.5 . . ?
C244 C245 H24I 109.5 . . ?
C244 C245 H24J 109.5 . . ?
H24H C245 H24I 109.5 . . ?
H24H C245 H24J 109.5 . . ?
H24I C245 H24J 109.5 . . ?
O86B C246 H24K 110.4 . . ?
O86B C246 H24L 110.4 . . ?
H24K C246 H24L 108.6 . . ?
C247 C246 O86B 107(2) . . ?
C247 C246 H24K 110.4 . . ?
C247 C246 H24L 110.4 . . ?
C246 C247 H24M 109.5 . . ?
C246 C247 H24N 109.5 . . ?
C246 C247 H24O 109.5 . . ?
H24M C247 H24N 109.5 . . ?
H24M C247 H24O 109.5 . . ?
H24N C247 H24O 109.5 . . ?
O87B C248 H24P 108.8 . . ?
O87B C248 H24Q 108.8 . . ?
O87B C248 C249 114(3) . . ?
H24P C248 H24Q 107.7 . . ?
C249 C248 H24P 108.8 . . ?
C249 C248 H24Q 108.8 . . ?
C248 C249 H24R 109.5 . . ?
C248 C249 H24S 109.5 . . ?
C248 C249 H24T 109.5 . . ?
H24R C249 H24S 109.5 . . ?
H24R C249 H24T 109.5 . . ?
H24S C249 H24T 109.5 . . ?
O88B C250 H25A 109.6 . . ?
O88B C250 H25B 109.6 . . ?
O88B C250 C251 110(2) . . ?
H25A C250 H25B 108.1 . . ?
C251 C250 H25A 109.6 . . ?
C251 C250 H25B 109.6 . . ?
C250 C251 H25C 109.5 . . ?
C250 C251 H25D 109.5 . . ?
C250 C251 H25E 109.5 . . ?
H25C C251 H25D 109.5 . . ?
H25C C251 H25E 109.5 . . ?
H25D C251 H25E 109.5 . . ?
O89B C252 H25F 110.2 . . ?
O89B C252 H25G 110.2 . . ?
O89B C252 C253 108(2) . . ?
H25F C252 H25G 108.5 . . ?
C253 C252 H25F 110.2 . . ?
C253 C252 H25G 110.2 . . ?
C252 C253 H25H 109.5 . . ?
C252 C253 H25I 109.5 . . ?
C252 C253 H25J 109.5 . . ?
H25H C253 H25I 109.5 . . ?
H25H C253 H25J 109.5 . . ?
H25I C253 H25J 109.5 . . ?
Co3 C254 H254 123.9 . . ?
C255 C254 Co3 72(2) . . ?
C255 C254 H254 125.0 . . ?
C258 C254 Co3 71(3) . . ?
C258 C254 H254 125.0 . . ?
C258 C254 C255 110(2) . . ?
Co3 C255 H255 125.9 . . ?
C254 C255 Co3 69(3) . . ?
C254 C255 H255 127.2 . . ?
C254 C255 C256 105.7(18) . . ?
C256 C255 Co3 69.3(16) . . ?
C256 C255 H255 127.2 . . ?
Co3 C256 H256 124.0 . . ?
C255 C256 Co3 71.8(15) . . ?
C255 C256 H256 125.8 . . ?
C255 C256 C257 108.3(17) . . ?
C257 C256 Co3 69.9(15) . . ?
C257 C256 H256 125.8 . . ?
Co3 C257 H257 124.3 . . ?
C256 C257 Co3 70.1(17) . . ?
C256 C257 H257 126.4 . . ?
C258 C257 Co3 70.8(12) . . ?
C258 C257 C256 107.1(18) . . ?
C258 C257 H257 126.4 . . ?
Co3 C258 H258 124.3 . . ?
C254 C258 Co3 71(3) . . ?
C254 C258 H258 125.6 . . ?
C257 C258 Co3 70.9(12) . . ?
C257 C258 C254 109(2) . . ?
C257 C258 H258 125.6 . . ?
O1 Dy1 O3 80.75(14) . . ?
O1 Dy1 N1 97.11(15) . . ?
O1 Dy1 N2 75.46(14) . . ?
O1 Dy1 N3 123.70(15) . . ?
O1 Dy1 N4 160.07(14) . . ?
O2 Dy1 O1 79.55(15) . . ?
O2 Dy1 O3 80.14(14) . . ?
O2 Dy1 N1 159.89(14) . . ?
O2 Dy1 N2 122.55(14) . . ?
O2 Dy1 N3 77.24(14) . . ?
O2 Dy1 N4 100.97(15) . . ?
O3 Dy1 N1 79.75(14) . . ?
O3 Dy1 N2 142.38(15) . . ?
O3 Dy1 N3 142.08(15) . . ?
O3 Dy1 N4 79.74(14) . . ?
N2 Dy1 N1 74.84(13) . . ?
N3 Dy1 N1 119.77(14) . . ?
N3 Dy1 N2 75.42(14) . . ?
N3 Dy1 N4 75.24(13) . . ?
N4 Dy1 N1 75.46(15) . . ?
N4 Dy1 N2 118.96(14) . . ?
P1 Co1 P2 92.35(7) . . ?
P1 Co1 P3 90.89(6) . . ?
P3 Co1 P2 93.27(6) . . ?
C74 Co1 P1 92.1(2) . . ?
C74 Co1 P2 142.8(2) . . ?
C74 Co1 P3 123.5(2) . . ?
C74 Co1 C75 40.4(3) . . ?
C74 Co1 C76 66.2(3) . . ?
C74 Co1 C77 64.1(3) . . ?
C74 Co1 C78 37.9(3) . . ?
C75 Co1 P1 102.45(19) . . ?
C75 Co1 P2 102.8(2) . . ?
C75 Co1 P3 158.5(2) . . ?
C75 Co1 C77 66.8(3) . . ?
C75 Co1 C78 66.8(3) . . ?
C76 Co1 P1 141.0(2) . . ?
C76 Co1 P2 88.0(2) . . ?
C76 Co1 P3 128.1(2) . . ?
C76 Co1 C75 40.2(3) . . ?
C76 Co1 C77 40.1(3) . . ?
C76 Co1 C78 66.5(3) . . ?
C77 Co1 P1 154.1(3) . . ?
C77 Co1 P2 112.8(3) . . ?
C77 Co1 P3 93.9(2) . . ?
C77 Co1 C78 38.4(3) . . ?
C78 Co1 P1 116.0(3) . . ?
C78 Co1 P2 151.0(3) . . ?
C78 Co1 P3 92.3(2) . . ?
O1 P1 Co1 119.06(17) . . ?
O1 P1 O4 106.7(2) . . ?
O1 P1 O5 109.6(2) . . ?
O4 P1 Co1 112.95(18) . . ?
O4 P1 O5 100.7(3) . . ?
O5 P1 Co1 106.33(17) . . ?
O2 P2 Co1 119.29(17) . . ?
O2 P2 O6 107.1(2) . . ?
O2 P2 O7 109.8(2) . . ?
O6 P2 Co1 110.6(2) . . ?
O7 P2 Co1 107.62(18) . . ?
O7 P2 O6 100.9(2) . . ?
O3 P3 Co1 117.65(16) . . ?
O3 P3 O8 107.4(2) . . ?
O3 P3 O9 109.9(2) . . ?
O8 P3 Co1 114.13(18) . . ?
O9 P3 Co1 107.58(17) . . ?
O9 P3 O8 98.4(2) . . ?
C22 Si1 C23 106.3(3) . . ?
C22 Si1 C26 106.4(3) . . ?
C22 Si1 C29 104.0(5) . . ?
C22 Si1 C29A 110.9(5) . . ?
C23 Si1 C26 112.2(4) . . ?
C23 Si1 C29 105.7(6) . . ?
C23 Si1 C29A 117.7(5) . . ?
C26 Si1 C29 121.2(6) . . ?
C29A Si1 C26 103.0(5) . . ?
P1 O1 Dy1 135.0(2) . . ?
P2 O2 Dy1 133.9(2) . . ?
P3 O3 Dy1 134.7(2) . . ?
C62 O4 P1 122.5(4) . . ?
C64 O5 P1 118.7(4) . . ?
C66 O6 P2 123.9(4) . . ?
C68 O7 P2 118.3(4) . . ?
C70 O8 P3 121.0(4) . . ?
C72 O9 P3 117.4(4) . . ?
C1 N1 Dy1 124.2(3) . . ?
C4 N1 Dy1 124.4(3) . . ?
C4 N1 C1 106.6(4) . . ?
C6 N2 Dy1 122.1(3) . . ?
C6 N2 C9 106.2(4) . . ?
C9 N2 Dy1 120.7(3) . . ?
C11 N3 Dy1 123.8(3) . . ?
C14 N3 Dy1 125.1(3) . . ?
C14 N3 C11 106.4(4) . . ?
C16 N4 Dy1 124.5(3) . . ?
C16 N4 C19 105.7(4) . . ?
C19 N4 Dy1 124.7(3) . . ?
N1 C1 C2 108.9(5) . . ?
N1 C1 C20 125.8(5) . . ?
C20 C1 C2 125.2(5) . . ?
C1 C2 H2 126.2 . . ?
C3 C2 C1 107.7(5) . . ?
C3 C2 H2 126.2 . . ?
C2 C3 H3 126.7 . . ?
C2 C3 C4 106.5(5) . . ?
C4 C3 H3 126.7 . . ?
N1 C4 C3 110.3(5) . . ?
N1 C4 C5 125.2(5) . . ?
C5 C4 C3 124.4(5) . . ?
C4 C5 C6 126.0(5) . . ?
C4 C5 C21 116.2(5) . . ?
C6 C5 C21 117.7(5) . . ?
N2 C6 C5 125.1(5) . . ?
N2 C6 C7 110.4(4) . . ?
C5 C6 C7 124.5(5) . . ?
C6 C7 H7 126.8 . . ?
C8 C7 C6 106.3(5) . . ?
C8 C7 H7 126.8 . . ?
C7 C8 H8 126.0 . . ?
C7 C8 C9 108.0(5) . . ?
C9 C8 H8 126.0 . . ?
N2 C9 C8 109.0(4) . . ?
N2 C9 C10 124.0(5) . . ?
C10 C9 C8 126.9(5) . . ?
C9 C10 C32 117.5(5) . . ?
C11 C10 C9 126.7(5) . . ?
C11 C10 C32 115.7(5) . . ?
N3 C11 C10 125.3(5) . . ?
N3 C11 C12 109.5(5) . . ?
C10 C11 C12 125.3(5) . . ?
C11 C12 H12 126.2 . . ?
C13 C12 C11 107.5(5) . . ?
C13 C12 H12 126.2 . . ?
C12 C13 H13 126.8 . . ?
C12 C13 C14 106.4(5) . . ?
C14 C13 H13 126.8 . . ?
N3 C14 C13 110.2(4) . . ?
N3 C14 C15 125.7(5) . . ?
C15 C14 C13 124.0(5) . . ?
C14 C15 C16 125.7(5) . . ?
C14 C15 C60 116.3(5) . . ?
C16 C15 C60 117.9(5) . . ?
N4 C16 C15 125.2(5) . . ?
N4 C16 C17 110.5(4) . . ?
C15 C16 C17 124.2(5) . . ?
C16 C17 H17 126.5 . . ?
C18 C17 C16 107.0(5) . . ?
C18 C17 H17 126.5 . . ?
C17 C18 H18 126.6 . . ?
C17 C18 C19 106.8(5) . . ?
C19 C18 H18 126.6 . . ?
N4 C19 C18 110.0(5) . . ?
N4 C19 C20 124.7(5) . . ?
C20 C19 C18 125.3(5) . . ?
C1 C20 C19 127.0(5) . . ?
C1 C20 C46 116.2(5) . . ?
C19 C20 C46 116.6(5) . . ?
C22 C21 C5 175.2(6) . . ?
C21 C22 Si1 178.2(6) . . ?
Si1 C23 H23 107.9 . . ?
C24 C23 Si1 112.9(5) . . ?
C24 C23 H23 107.9 . . ?
C25 C23 Si1 111.2(6) . . ?
C25 C23 H23 107.9 . . ?
C25 C23 C24 108.8(6) . . ?
C23 C24 H24U 109.5 . . ?
C23 C24 H24V 109.5 . . ?
C23 C24 H24W 109.5 . . ?
H24U C24 H24V 109.5 . . ?
H24U C24 H24W 109.5 . . ?
H24V C24 H24W 109.5 . . ?
C23 C25 H25K 109.5 . . ?
C23 C25 H25L 109.5 . . ?
C23 C25 H25M 109.5 . . ?
H25K C25 H25L 109.5 . . ?
H25K C25 H25M 109.5 . . ?
H25L C25 H25M 109.5 . . ?
Si1 C26 H26 106.3 . . ?
C27 C26 Si1 113.4(6) . . ?
C27 C26 H26 106.3 . . ?
C27 C26 C28 111.3(7) . . ?
C28 C26 Si1 112.7(6) . . ?
C28 C26 H26 106.3 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Si1 C29 H29 106.0 . . ?
C30 C29 Si1 114.1(15) . . ?
C30 C29 H29 106.0 . . ?
C31 C29 Si1 115.2(11) . . ?
C31 C29 H29 106.0 . . ?
C31 C29 C30 108.9(16) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C33 C32 C10 120.3(5) . . ?
C33 C32 C37 119.3(5) . . ?
C37 C32 C10 120.4(5) . . ?
C32 C33 H33 119.2 . . ?
C34 C33 C32 121.7(5) . . ?
C34 C33 H33 119.2 . . ?
C33 C34 C35 117.2(5) . . ?
C33 C34 C38 119.0(5) . . ?
C35 C34 C38 123.8(5) . . ?
C34 C35 H35 118.7 . . ?
C36 C35 C34 122.7(5) . . ?
C36 C35 H35 118.7 . . ?
C35 C36 C42 122.6(5) . . ?
C37 C36 C35 117.7(5) . . ?
C37 C36 C42 119.6(5) . . ?
C32 C37 H37 119.3 . . ?
C36 C37 C32 121.4(5) . . ?
C36 C37 H37 119.3 . . ?
C34 C38 C39 109.8(5) . . ?
C34 C38 C40 107.6(5) . . ?
C34 C38 C41 112.3(4) . . ?
C39 C38 C40 109.2(5) . . ?
C39 C38 C41 108.2(5) . . ?
C41 C38 C40 109.7(5) . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C38 C40 H40A 109.5 . . ?
C38 C40 H40B 109.5 . . ?
C38 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C38 C41 H41A 109.5 . . ?
C38 C41 H41B 109.5 . . ?
C38 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C43 C42 C36 113.4(5) . . ?
C43 C42 C44 109.3(6) . . ?
C43 C42 C45 107.6(7) . . ?
C44 C42 C36 110.2(6) . . ?
C44 C42 C45 107.7(7) . . ?
C45 C42 C36 108.4(5) . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
C42 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C42 C44 H44A 109.5 . . ?
C42 C44 H44B 109.5 . . ?
C42 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C42 C45 H45A 109.5 . . ?
C42 C45 H45B 109.5 . . ?
C42 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C47 C46 C20 120.2(5) . . ?
C47 C46 C51 120.1(5) . . ?
C51 C46 C20 119.6(5) . . ?
C46 C47 H47 119.8 . . ?
C46 C47 C48 120.4(5) . . ?
C48 C47 H47 119.8 . . ?
C47 C48 C49 118.0(5) . . ?
C47 C48 C52 122.2(6) . . ?
C47 C48 C52A 117.0(11) . . ?
C49 C48 C52 119.4(6) . . ?
C49 C48 C52A 122.6(10) . . ?
C48 C49 H49 118.6 . . ?
C50 C49 C48 122.8(5) . . ?
C50 C49 H49 118.6 . . ?
C49 C50 C51 117.6(5) . . ?
C49 C50 C56 123.1(5) . . ?
C51 C50 C56 119.3(5) . . ?
C46 C51 C50 121.0(5) . . ?
C46 C51 H51 119.5 . . ?
C50 C51 H51 119.5 . . ?
C53 C52 C48 106.9(8) . . ?
C53 C52 C54 107.7(9) . . ?
C53 C52 C55 110.6(9) . . ?
C54 C52 C48 112.6(8) . . ?
C55 C52 C48 111.8(10) . . ?
C55 C52 C54 107.2(9) . . ?
C52 C53 H53A 109.5 . . ?
C52 C53 H53B 109.5 . . ?
C52 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C52 C54 H54A 109.5 . . ?
C52 C54 H54B 109.5 . . ?
C52 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C52 C55 H55A 109.5 . . ?
C52 C55 H55B 109.5 . . ?
C52 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C57 C56 C50 111.2(5) . . ?
C58 C56 C50 108.9(5) . . ?
C58 C56 C57 108.9(5) . . ?
C59 C56 C50 110.4(5) . . ?
C59 C56 C57 107.8(5) . . ?
C59 C56 C58 109.5(6) . . ?
C56 C57 H57A 109.5 . . ?
C56 C57 H57B 109.5 . . ?
C56 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C56 C58 H58A 109.5 . . ?
C56 C58 H58B 109.5 . . ?
C56 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C56 C59 H59A 109.5 . . ?
C56 C59 H59B 109.5 . . ?
C56 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C61 C60 C15 177.9(6) . . ?
C60 C61 H61 180.0 . . ?
O4 C62 H62A 109.3 . . ?
O4 C62 H62B 109.3 . . ?
O4 C62 C63 111.8(6) . . ?
H62A C62 H62B 107.9 . . ?
C63 C62 H62A 109.3 . . ?
C63 C62 H62B 109.3 . . ?
C62 C63 H63A 109.5 . . ?
C62 C63 H63B 109.5 . . ?
C62 C63 H63C 109.5 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
O5 C64 H64A 110.0 . . ?
O5 C64 H64B 110.0 . . ?
O5 C64 C65 108.6(6) . . ?
H64A C64 H64B 108.3 . . ?
C65 C64 H64A 110.0 . . ?
C65 C64 H64B 110.0 . . ?
C64 C65 H65A 109.5 . . ?
C64 C65 H65B 109.5 . . ?
C64 C65 H65C 109.5 . . ?
H65A C65 H65B 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
O6 C66 H66A 110.1 . . ?
O6 C66 H66B 110.1 . . ?
O6 C66 C67 108.2(6) . . ?
H66A C66 H66B 108.4 . . ?
C67 C66 H66A 110.1 . . ?
C67 C66 H66B 110.1 . . ?
C66 C67 H67A 109.5 . . ?
C66 C67 H67B 109.5 . . ?
C66 C67 H67C 109.5 . . ?
H67A C67 H67B 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
O7 C68 H68A 109.8 . . ?
O7 C68 H68B 109.8 . . ?
H68A C68 H68B 108.2 . . ?
C69 C68 O7 109.5(6) . . ?
C69 C68 H68A 109.8 . . ?
C69 C68 H68B 109.8 . . ?
C68 C69 H69A 109.5 . . ?
C68 C69 H69B 109.5 . . ?
C68 C69 H69C 109.5 . . ?
H69A C69 H69B 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
O8 C70 H70A 109.8 . . ?
O8 C70 H70B 109.8 . . ?
O8 C70 C71 109.2(7) . . ?
H70A C70 H70B 108.3 . . ?
C71 C70 H70A 109.8 . . ?
C71 C70 H70B 109.8 . . ?
C70 C71 H71A 109.5 . . ?
C70 C71 H71B 109.5 . . ?
C70 C71 H71C 109.5 . . ?
H71A C71 H71B 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
O9 C72 H72A 109.7 . . ?
O9 C72 H72B 109.7 . . ?
O9 C72 C73 110.0(6) . . ?
H72A C72 H72B 108.2 . . ?
C73 C72 H72A 109.7 . . ?
C73 C72 H72B 109.7 . . ?
C72 C73 H73A 109.5 . . ?
C72 C73 H73B 109.5 . . ?
C72 C73 H73C 109.5 . . ?
H73A C73 H73B 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
Co1 C74 H74 125.2 . . ?
C75 C74 Co1 70.2(4) . . ?
C75 C74 H74 124.5 . . ?
C78 C74 Co1 71.6(4) . . ?
C78 C74 H74 124.5 . . ?
C78 C74 C75 110.9(7) . . ?
Co1 C75 H75 124.9 . . ?
C74 C75 Co1 69.4(3) . . ?
C74 C75 H75 127.7 . . ?
C76 C75 Co1 69.7(3) . . ?
C76 C75 C74 104.6(7) . . ?
C76 C75 H75 127.7 . . ?
Co1 C76 H76 124.6 . . ?
C75 C76 Co1 70.2(3) . . ?
C75 C76 H76 126.5 . . ?
C77 C76 Co1 70.3(4) . . ?
C77 C76 C75 107.0(7) . . ?
C77 C76 H76 126.5 . . ?
Co1 C77 H77 125.7 . . ?
C76 C77 Co1 69.6(4) . . ?
C76 C77 H77 125.5 . . ?
C78 C77 Co1 70.8(4) . . ?
C78 C77 C76 109.1(8) . . ?
C78 C77 H77 125.5 . . ?
Co1 C78 H78 124.5 . . ?
C74 C78 Co1 70.5(4) . . ?
C74 C78 C77 108.4(8) . . ?
C74 C78 H78 125.8 . . ?
C77 C78 Co1 70.8(4) . . ?
C77 C78 H78 125.8 . . ?
Si1 C29A H29A 106.4 . . ?
C30A C29A Si1 114.0(12) . . ?
C30A C29A H29A 106.4 . . ?
C31A C29A Si1 112.9(10) . . ?
C31A C29A H29A 106.4 . . ?
C31A C29A C30A 110.2(13) . . ?
C29A C30A H30D 109.5 . . ?
C29A C30A H30E 109.5 . . ?
C29A C30A H30F 109.5 . . ?
H30D C30A H30E 109.5 . . ?
H30D C30A H30F 109.5 . . ?
H30E C30A H30F 109.5 . . ?
C29A C31A H31D 109.5 . . ?
C29A C31A H31E 109.5 . . ?
C29A C31A H31F 109.5 . . ?
H31D C31A H31E 109.5 . . ?
H31D C31A H31F 109.5 . . ?
H31E C31A H31F 109.5 . . ?
C53A C52A C48 116.1(18) . . ?
C53A C52A C54A 107.0(18) . . ?
C53A C52A C55A 107.7(19) . . ?
C54A C52A C48 106.5(16) . . ?
C55A C52A C48 113(2) . . ?
C55A C52A C54A 105.6(19) . . ?
C52A C53A H53D 109.5 . . ?
C52A C53A H53E 109.5 . . ?
C52A C53A H53F 109.5 . . ?
H53D C53A H53E 109.5 . . ?
H53D C53A H53F 109.5 . . ?
H53E C53A H53F 109.5 . . ?
C52A C54A H54D 109.5 . . ?
C52A C54A H54E 109.5 . . ?
C52A C54A H54F 109.5 . . ?
H54D C54A H54E 109.5 . . ?
H54D C54A H54F 109.5 . . ?
H54E C54A H54F 109.5 . . ?
C52A C55A H55D 109.5 . . ?
C52A C55A H55E 109.5 . . ?
C52A C55A H55F 109.5 . . ?
H55D C55A H55E 109.5 . . ?
H55D C55A H55F 109.5 . . ?
H55E C55A H55F 109.5 . . ?
C233 C232 C128 115.6(13) . . ?
C233 C232 C234 109.3(14) . . ?
C233 C232 C235 108.0(15) . . ?
C234 C232 C128 112.0(13) . . ?
C235 C232 C128 106.5(12) . . ?
C235 C232 C234 104.9(15) . . ?
C232 C233 H23A 109.5 . . ?
C232 C233 H23B 109.5 . . ?
C232 C233 H23C 109.5 . . ?
H23A C233 H23B 109.5 . . ?
H23A C233 H23C 109.5 . . ?
H23B C233 H23C 109.5 . . ?
C232 C234 H23D 109.5 . . ?
C232 C234 H23E 109.5 . . ?
C232 C234 H23F 109.5 . . ?
H23D C234 H23E 109.5 . . ?
H23D C234 H23F 109.5 . . ?
H23E C234 H23F 109.5 . . ?
C232 C235 H23G 109.5 . . ?
C232 C235 H23H 109.5 . . ?
C232 C235 H23I 109.5 . . ?
H23G C235 H23H 109.5 . . ?
H23G C235 H23I 109.5 . . ?
H23H C235 H23I 109.5 . . ?
Si81 C206 H206 107.5 . . ?
C207 C206 Si81 113(2) . . ?
C207 C206 H206 107.5 . . ?
C208 C206 Si81 121(2) . . ?
C208 C206 H206 107.5 . . ?
C208 C206 C207 100(2) . . ?
C206 C207 H20A 109.5 . . ?
C206 C207 H20B 109.5 . . ?
C206 C207 H20C 109.5 . . ?
H20A C207 H20B 109.5 . . ?
H20A C207 H20C 109.5 . . ?
H20B C207 H20C 109.5 . . ?
C206 C208 H20D 109.5 . . ?
C206 C208 H20E 109.5 . . ?
C206 C208 H20F 109.5 . . ?
H20D C208 H20E 109.5 . . ?
H20D C208 H20F 109.5 . . ?
H20E C208 H20F 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy2 N81 C81 C82 140.2(3) . . . . ?
Dy2 N81 C81 C100 -41.9(6) . . . . ?
Dy2 N81 C84 C83 -140.3(3) . . . . ?
Dy2 N81 C84 C85 40.7(6) . . . . ?
Dy2 N82 C86 C85 -23.2(7) . . . . ?
Dy2 N82 C86 C87 158.1(4) . . . . ?
Dy2 N82 C89 C88 -157.6(4) . . . . ?
Dy2 N82 C89 C90 25.6(7) . . . . ?
Dy2 N83 C91 C90 -31.5(6) . . . . ?
Dy2 N83 C91 C92 155.3(3) . . . . ?
Dy2 N83 C94 C93 -154.6(3) . . . . ?
Dy2 N83 C94 C95 30.5(6) . . . . ?
Dy2 N84 C96 C95 -24.1(6) . . . . ?
Dy2 N84 C96 C97 158.7(3) . . . . ?
Dy2 N84 C99 C98 -160.2(3) . . . . ?
Dy2 N84 C99 C100 23.2(6) . . . . ?
Co2 P81 O81 Dy2 33.2(5) . . . . ?
Co2 P81 O84 C142 -178.6(7) . . . . ?
Co2 P81 O85 C144 82.8(8) . . . . ?
Co2 P82 O82 Dy2 20.0(5) . . . . ?
Co2 P82 O86 C146 178.8(12) . . . . ?
Co2 P82 O87 C148 109.9(6) . . . . ?
Co2 P83 O83 Dy2 15.4(5) . . . . ?
Co2 P83 O88 C150 -179.9(8) . . . . ?
Co2 P83 O89 C152 115.3(10) . . . . ?
Co2 C154 C155 C156 -60.2(7) . . . . ?
Co2 C154 C158 C157 60.7(14) . . . . ?
Co2 C155 C156 C157 -61.3(7) . . . . ?
Co2 C156 C157 C158 -60.0(12) . . . . ?
Co2 C157 C158 C154 -60.5(14) . . . . ?
P81 O84 C142 C143 167.1(9) . . . . ?
P81 O85 C144 C145 173.8(8) . . . . ?
P82 O86 C146 C147 142.0(12) . . . . ?
P82 O87 C148 C149 85.7(9) . . . . ?
P83 O88 C150 C151 -162.1(10) . . . . ?
P83 O89 C152 C153 108.3(12) . . . . ?
O81 P81 O84 C142 -49.3(9) . . . . ?
O81 P81 O85 C144 -49.4(8) . . . . ?
O82 P82 O86 C146 -50.2(13) . . . . ?
O82 P82 O87 C148 -22.4(7) . . . . ?
O83 P83 O88 C150 -50.7(9) . . . . ?
O83 P83 O89 C152 -16.5(11) . . . . ?
O84 P81 O81 Dy2 -90.7(5) . . . . ?
O84 P81 O85 C144 -163.2(8) . . . . ?
O85 P81 O81 Dy2 163.3(4) . . . . ?
O85 P81 O84 C142 62.7(8) . . . . ?
O86 P82 O82 Dy2 -104.3(5) . . . . ?
O86 P82 O87 C148 -135.5(7) . . . . ?
O87 P82 O82 Dy2 147.6(4) . . . . ?
O87 P82 O86 C146 61.8(12) . . . . ?
O88 P83 O83 Dy2 -106.1(5) . . . . ?
O88 P83 O89 C152 -132.1(10) . . . . ?
O89 P83 O83 Dy2 143.5(5) . . . . ?
O89 P83 O88 C150 62.5(9) . . . . ?
C154 C155 C156 Co2 60.4(6) . . . . ?
C154 C155 C156 C157 -1.0(11) . . . . ?
C155 C154 C158 Co2 -60.0(8) . . . . ?
C155 C154 C158 C157 1(2) . . . . ?
C155 C156 C157 Co2 61.4(8) . . . . ?
C155 C156 C157 C158 1.4(16) . . . . ?
C156 C157 C158 Co2 59.2(9) . . . . ?
C156 C157 C158 C154 -1(2) . . . . ?
C158 C154 C155 Co2 60.4(13) . . . . ?
C158 C154 C155 C156 0.2(15) . . . . ?
N81 C81 C82 C83 2.2(5) . . . . ?
N81 C81 C100 C99 0.9(8) . . . . ?
N81 C81 C100 C126 -178.8(4) . . . . ?
N81 C84 C85 C86 -1.1(8) . . . . ?
N81 C84 C85 C101 175.9(5) . . . . ?
N82 C86 C87 C88 0.3(7) . . . . ?
N82 C89 C90 C91 6.0(8) . . . . ?
N82 C89 C90 C112 178.7(5) . . . . ?
N83 C91 C92 C93 0.1(6) . . . . ?
N83 C94 C95 C96 4.7(8) . . . . ?
N83 C94 C95 C140 179.4(4) . . . . ?
N84 C96 C97 C98 0.7(6) . . . . ?
N84 C99 C100 C81 10.2(8) . . . . ?
N84 C99 C100 C126 -170.0(4) . . . . ?
C81 N81 C84 C83 0.9(5) . . . . ?
C81 N81 C84 C85 -178.1(5) . . . . ?
C81 C82 C83 C84 -1.6(5) . . . . ?
C81 C100 C126 C127 -125.4(5) . . . . ?
C81 C100 C126 C131 55.7(7) . . . . ?
C82 C81 C100 C99 178.5(5) . . . . ?
C82 C81 C100 C126 -1.3(7) . . . . ?
C82 C83 C84 N81 0.5(6) . . . . ?
C82 C83 C84 C85 179.4(5) . . . . ?
C83 C84 C85 C86 -179.9(5) . . . . ?
C83 C84 C85 C101 -2.9(8) . . . . ?
C84 N81 C81 C82 -1.8(5) . . . . ?
C84 N81 C81 C100 176.1(4) . . . . ?
C84 C85 C86 N82 -9.0(8) . . . . ?
C84 C85 C86 C87 169.4(5) . . . . ?
C85 C86 C87 C88 -178.3(5) . . . . ?
C86 N82 C89 C88 1.7(6) . . . . ?
C86 N82 C89 C90 -175.0(5) . . . . ?
C86 C87 C88 C89 0.7(7) . . . . ?
C87 C88 C89 N82 -1.6(6) . . . . ?
C87 C88 C89 C90 175.2(5) . . . . ?
C88 C89 C90 C91 -170.3(5) . . . . ?
C88 C89 C90 C112 2.4(7) . . . . ?
C89 N82 C86 C85 177.4(5) . . . . ?
C89 N82 C86 C87 -1.3(6) . . . . ?
C89 C90 C91 N83 -2.7(8) . . . . ?
C89 C90 C91 C92 169.5(5) . . . . ?
C89 C90 C112 C113 -81.1(6) . . . . ?
C89 C90 C112 C117 103.6(6) . . . . ?
C90 C91 C92 C93 -173.1(5) . . . . ?
C90 C112 C113 C114 -174.8(5) . . . . ?
C90 C112 C117 C116 175.8(5) . . . . ?
C91 N83 C94 C93 1.8(5) . . . . ?
C91 N83 C94 C95 -173.1(4) . . . . ?
C91 C90 C112 C113 92.5(6) . . . . ?
C91 C90 C112 C117 -82.9(6) . . . . ?
C91 C92 C93 C94 1.0(6) . . . . ?
C92 C93 C94 N83 -1.8(6) . . . . ?
C92 C93 C94 C95 173.1(5) . . . . ?
C93 C94 C95 C96 -169.4(5) . . . . ?
C93 C94 C95 C140 5.4(7) . . . . ?
C94 N83 C91 C90 172.0(4) . . . . ?
C94 N83 C91 C92 -1.2(5) . . . . ?
C94 C95 C96 N84 -8.4(8) . . . . ?
C94 C95 C96 C97 168.3(5) . . . . ?
C95 C96 C97 C98 -176.5(5) . . . . ?
C96 N84 C99 C98 -1.4(5) . . . . ?
C96 N84 C99 C100 -177.9(4) . . . . ?
C96 C97 C98 C99 -1.5(6) . . . . ?
C97 C98 C99 N84 1.8(6) . . . . ?
C97 C98 C99 C100 178.4(5) . . . . ?
C98 C99 C100 C81 -165.8(5) . . . . ?
C98 C99 C100 C126 13.9(7) . . . . ?
C99 N84 C96 C95 177.6(5) . . . . ?
C99 N84 C96 C97 0.4(5) . . . . ?
C99 C100 C126 C127 54.8(6) . . . . ?
C99 C100 C126 C131 -124.1(5) . . . . ?
C100 C81 C82 C83 -175.7(5) . . . . ?
C100 C126 C127 C128 -178.2(5) . . . . ?
C100 C126 C131 C130 -179.4(5) . . . . ?
C101 C85 C86 N82 173.9(5) . . . . ?
C101 C85 C86 C87 -7.6(8) . . . . ?
C102 Si81 C103 C104 60.8(6) . . . . ?
C102 Si81 C103 C105 -62.4(7) . . . . ?
C102 Si81 C106 C107 -145.7(12) . . . . ?
C102 Si81 C106 C108 -30.6(11) . . . . ?
C102 Si81 C109 C110 -41.6(9) . . . . ?
C102 Si81 C109 C111 -173.9(7) . . . . ?
C103 Si81 C106 C107 -23.1(13) . . . . ?
C103 Si81 C106 C108 92.0(10) . . . . ?
C103 Si81 C109 C110 -156.9(7) . . . . ?
C103 Si81 C109 C111 70.8(8) . . . . ?
C106 Si81 C103 C104 -64.6(8) . . . . ?
C106 Si81 C103 C105 172.2(7) . . . . ?
C106 Si81 C109 C110 80.3(9) . . . . ?
C106 Si81 C109 C111 -52.0(9) . . . . ?
C109 Si81 C103 C104 176.8(6) . . . . ?
C109 Si81 C103 C105 53.6(7) . . . . ?
C109 Si81 C106 C107 95.2(12) . . . . ?
C109 Si81 C106 C108 -149.7(9) . . . . ?
C112 C90 C91 N83 -175.4(4) . . . . ?
C112 C90 C91 C92 -3.2(7) . . . . ?
C112 C113 C114 C115 -1.4(9) . . . . ?
C112 C113 C114 C118 178.6(5) . . . . ?
C113 C112 C117 C116 0.4(8) . . . . ?
C113 C114 C115 C116 1.1(8) . . . . ?
C113 C114 C118 C119 61.5(7) . . . . ?
C113 C114 C118 C120 -58.5(7) . . . . ?
C113 C114 C118 C121 -177.4(5) . . . . ?
C114 C115 C116 C117 -0.2(8) . . . . ?
C114 C115 C116 C122 176.1(5) . . . . ?
C115 C114 C118 C119 -118.5(6) . . . . ?
C115 C114 C118 C120 121.5(6) . . . . ?
C115 C114 C118 C121 2.6(8) . . . . ?
C115 C116 C117 C112 -0.7(8) . . . . ?
C115 C116 C122 C123 8.7(8) . . . . ?
C115 C116 C122 C124 -111.5(6) . . . . ?
C115 C116 C122 C125 128.3(6) . . . . ?
C117 C112 C113 C114 0.6(9) . . . . ?
C117 C116 C122 C123 -175.1(6) . . . . ?
C117 C116 C122 C124 64.6(7) . . . . ?
C117 C116 C122 C125 -55.6(7) . . . . ?
C118 C114 C115 C116 -178.9(5) . . . . ?
C122 C116 C117 C112 -177.0(5) . . . . ?
C126 C127 C128 C129 -2.1(8) . . . . ?
C126 C127 C128 C132 174.8(7) . . . . ?
C126 C127 C128 C232 -169.8(9) . . . . ?
C127 C126 C131 C130 1.8(8) . . . . ?
C127 C128 C129 C130 1.1(9) . . . . ?
C127 C128 C132 C133 60.7(10) . . . . ?
C127 C128 C132 C134 -58.3(10) . . . . ?
C127 C128 C132 C135 -177.1(8) . . . . ?
C127 C128 C232 C233 114.5(14) . . . . ?
C127 C128 C232 C234 -11.6(18) . . . . ?
C127 C128 C232 C235 -125.7(13) . . . . ?
C128 C129 C130 C131 1.2(8) . . . . ?
C128 C129 C130 C136 -177.9(5) . . . . ?
C129 C128 C132 C133 -122.6(8) . . . . ?
C129 C128 C132 C134 118.4(8) . . . . ?
C129 C128 C132 C135 -0.5(13) . . . . ?
C129 C128 C232 C233 -53.3(16) . . . . ?
C129 C128 C232 C234 -179.4(12) . . . . ?
C129 C128 C232 C235 66.5(15) . . . . ?
C129 C130 C131 C126 -2.7(8) . . . . ?
C129 C130 C136 C137 7.3(8) . . . . ?
C129 C130 C136 C138 -113.9(6) . . . . ?
C129 C130 C136 C139 125.7(6) . . . . ?
C131 C126 C127 C128 0.7(8) . . . . ?
C131 C130 C136 C137 -171.8(5) . . . . ?
C131 C130 C136 C138 67.0(7) . . . . ?
C131 C130 C136 C139 -53.4(7) . . . . ?
C132 C128 C129 C130 -175.6(7) . . . . ?
C136 C130 C131 C126 176.5(5) . . . . ?
C140 C95 C96 N84 176.7(4) . . . . ?
C140 C95 C96 C97 -6.5(7) . . . . ?
Co3 P81B O81B Dy2 8.1(14) . . . . ?
Co3 P81B O84B C242 -177(3) . . . . ?
Co3 P81B O85B C244 100(3) . . . . ?
Co3 P82B O82B Dy2 16.0(16) . . . . ?
Co3 P82B O86B C246 169(2) . . . . ?
Co3 P82B O87B C248 110(3) . . . . ?
Co3 P83B O83B Dy2 27.3(13) . . . . ?
Co3 P83B O88B C250 -179(3) . . . . ?
Co3 P83B O89B C252 88(2) . . . . ?
Co3 C254 C255 C256 -60(2) . . . . ?
Co3 C254 C258 C257 61(2) . . . . ?
Co3 C255 C256 C257 -61(2) . . . . ?
Co3 C256 C257 C258 -61.5(17) . . . . ?
Co3 C257 C258 C254 -61(4) . . . . ?
P81B O84B C242 C243 153(3) . . . . ?
P81B O85B C244 C245 109(4) . . . . ?
P82B O86B C246 C247 171(2) . . . . ?
P82B O87B C248 C249 109(5) . . . . ?
P83B O88B C250 C251 153(3) . . . . ?
P83B O89B C252 C253 -155(3) . . . . ?
O81B P81B O84B C242 -49(3) . . . . ?
O81B P81B O85B C244 -32(3) . . . . ?
O82B P82B O86B C246 -62(2) . . . . ?
O82B P82B O87B C248 -20(3) . . . . ?
O83B P83B O88B C250 -51(3) . . . . ?
O83B P83B O89B C252 -47(3) . . . . ?
O84B P81B O81B Dy2 -112.3(16) . . . . ?
O84B P81B O85B C244 -147(3) . . . . ?
O85B P81B O81B Dy2 137.4(12) . . . . ?
O85B P81B O84B C242 65(3) . . . . ?
O86B P82B O82B Dy2 -108.0(13) . . . . ?
O86B P82B O87B C248 -133(3) . . . . ?
O87B P82B O82B Dy2 142.3(15) . . . . ?
O87B P82B O86B C246 49(2) . . . . ?
O88B P83B O83B Dy2 -94.5(13) . . . . ?
O88B P83B O89B C252 -158(2) . . . . ?
O89B P83B O83B Dy2 160.3(10) . . . . ?
O89B P83B O88B C250 61(3) . . . . ?
C254 C255 C256 Co3 60(4) . . . . ?
C254 C255 C256 C257 -1(5) . . . . ?
C255 C254 C258 Co3 -62(4) . . . . ?
C255 C254 C258 C257 -1(6) . . . . ?
C255 C256 C257 Co3 62(2) . . . . ?
C255 C256 C257 C258 0(3) . . . . ?
C256 C257 C258 Co3 61(2) . . . . ?
C256 C257 C258 C254 0(4) . . . . ?
C258 C254 C255 Co3 61(4) . . . . ?
C258 C254 C255 C256 1(6) . . . . ?
Dy1 N1 C1 C2 154.4(3) . . . . ?
Dy1 N1 C1 C20 -29.6(7) . . . . ?
Dy1 N1 C4 C3 -154.0(3) . . . . ?
Dy1 N1 C4 C5 28.0(7) . . . . ?
Dy1 N2 C6 C5 -37.9(6) . . . . ?
Dy1 N2 C6 C7 143.1(3) . . . . ?
Dy1 N2 C9 C8 -142.8(4) . . . . ?
Dy1 N2 C9 C10 38.6(6) . . . . ?
Dy1 N3 C11 C10 -25.5(7) . . . . ?
Dy1 N3 C11 C12 156.7(4) . . . . ?
Dy1 N3 C14 C13 -156.7(3) . . . . ?
Dy1 N3 C14 C15 26.6(7) . . . . ?
Dy1 N4 C16 C15 -31.6(6) . . . . ?
Dy1 N4 C16 C17 152.8(3) . . . . ?
Dy1 N4 C19 C18 -152.6(3) . . . . ?
Dy1 N4 C19 C20 30.8(6) . . . . ?
Co1 P1 O1 Dy1 -15.6(4) . . . . ?
Co1 P1 O4 C62 -114.1(5) . . . . ?
Co1 P1 O5 C64 179.5(5) . . . . ?
Co1 P2 O2 Dy1 -22.1(4) . . . . ?
Co1 P2 O6 C66 -109.6(6) . . . . ?
Co1 P2 O7 C68 -174.8(4) . . . . ?
Co1 P3 O3 Dy1 -27.8(4) . . . . ?
Co1 P3 O8 C70 -86.2(5) . . . . ?
Co1 P3 O9 C72 -179.3(4) . . . . ?
Co1 C74 C75 C76 -61.2(4) . . . . ?
Co1 C74 C78 C77 61.0(5) . . . . ?
Co1 C75 C76 C77 -61.0(4) . . . . ?
Co1 C76 C77 C78 -60.0(5) . . . . ?
Co1 C77 C78 C74 -60.8(5) . . . . ?
P1 O4 C62 C63 -108.4(6) . . . . ?
P1 O5 C64 C65 177.5(5) . . . . ?
P2 O6 C66 C67 149.1(5) . . . . ?
P2 O7 C68 C69 -150.8(5) . . . . ?
P3 O8 C70 C71 -158.3(7) . . . . ?
P3 O9 C72 C73 -164.4(5) . . . . ?
O1 P1 O4 C62 18.5(6) . . . . ?
O1 P1 O5 C64 49.6(6) . . . . ?
O2 P2 O6 C66 21.9(7) . . . . ?
O2 P2 O7 C68 53.9(5) . . . . ?
O3 P3 O8 C70 46.1(6) . . . . ?
O3 P3 O9 C72 51.5(5) . . . . ?
O4 P1 O1 Dy1 -144.8(3) . . . . ?
O4 P1 O5 C64 -62.6(5) . . . . ?
O5 P1 O1 Dy1 107.0(4) . . . . ?
O5 P1 O4 C62 132.9(5) . . . . ?
O6 P2 O2 Dy1 -148.6(3) . . . . ?
O6 P2 O7 C68 -58.9(5) . . . . ?
O7 P2 O2 Dy1 102.7(4) . . . . ?
O7 P2 O6 C66 136.7(6) . . . . ?
O8 P3 O3 Dy1 -158.2(3) . . . . ?
O8 P3 O9 C72 -60.6(5) . . . . ?
O9 P3 O3 Dy1 95.7(4) . . . . ?
O9 P3 O8 C70 160.2(5) . . . . ?
N1 C1 C2 C3 0.8(6) . . . . ?
N1 C1 C20 C19 -2.2(8) . . . . ?
N1 C1 C20 C46 -177.2(4) . . . . ?
N1 C4 C5 C6 4.9(8) . . . . ?
N1 C4 C5 C21 -177.9(5) . . . . ?
N2 C6 C7 C8 -0.5(6) . . . . ?
N2 C9 C10 C11 1.6(8) . . . . ?
N2 C9 C10 C32 179.2(5) . . . . ?
N3 C11 C12 C13 0.3(7) . . . . ?
N3 C14 C15 C16 6.3(8) . . . . ?
N3 C14 C15 C60 -178.1(5) . . . . ?
N4 C16 C17 C18 1.6(6) . . . . ?
N4 C19 C20 C1 1.8(8) . . . . ?
N4 C19 C20 C46 176.7(4) . . . . ?
C1 N1 C4 C3 2.2(6) . . . . ?
C1 N1 C4 C5 -175.9(5) . . . . ?
C1 C2 C3 C4 0.6(6) . . . . ?
C1 C20 C46 C47 -85.0(7) . . . . ?
C1 C20 C46 C51 92.0(7) . . . . ?
C2 C1 C20 C19 173.1(5) . . . . ?
C2 C1 C20 C46 -1.9(7) . . . . ?
C2 C3 C4 N1 -1.7(6) . . . . ?
C2 C3 C4 C5 176.4(5) . . . . ?
C3 C4 C5 C6 -172.9(5) . . . . ?
C3 C4 C5 C21 4.3(7) . . . . ?
C4 N1 C1 C2 -1.8(5) . . . . ?
C4 N1 C1 C20 174.1(5) . . . . ?
C4 C5 C6 N2 0.9(8) . . . . ?
C4 C5 C6 C7 179.7(5) . . . . ?
C5 C6 C7 C8 -179.4(5) . . . . ?
C6 N2 C9 C8 1.9(5) . . . . ?
C6 N2 C9 C10 -176.8(5) . . . . ?
C6 C7 C8 C9 1.6(6) . . . . ?
C7 C8 C9 N2 -2.2(6) . . . . ?
C7 C8 C9 C10 176.4(5) . . . . ?
C8 C9 C10 C11 -176.8(5) . . . . ?
C8 C9 C10 C32 0.7(8) . . . . ?
C9 N2 C6 C5 178.1(5) . . . . ?
C9 N2 C6 C7 -0.9(5) . . . . ?
C9 C10 C11 N3 -9.5(9) . . . . ?
C9 C10 C11 C12 168.0(5) . . . . ?
C9 C10 C32 C33 -56.5(7) . . . . ?
C9 C10 C32 C37 123.2(6) . . . . ?
C10 C11 C12 C13 -177.5(5) . . . . ?
C10 C32 C33 C34 177.2(5) . . . . ?
C10 C32 C37 C36 180.0(5) . . . . ?
C11 N3 C14 C13 -0.5(6) . . . . ?
C11 N3 C14 C15 -177.2(5) . . . . ?
C11 C10 C32 C33 121.4(6) . . . . ?
C11 C10 C32 C37 -59.0(7) . . . . ?
C11 C12 C13 C14 -0.6(7) . . . . ?
C12 C13 C14 N3 0.7(6) . . . . ?
C12 C13 C14 C15 177.4(5) . . . . ?
C13 C14 C15 C16 -169.9(5) . . . . ?
C13 C14 C15 C60 5.6(7) . . . . ?
C14 N3 C11 C10 177.9(5) . . . . ?
C14 N3 C11 C12 0.1(6) . . . . ?
C14 C15 C16 N4 -3.5(8) . . . . ?
C14 C15 C16 C17 171.6(5) . . . . ?
C15 C16 C17 C18 -174.1(5) . . . . ?
C16 N4 C19 C18 2.8(5) . . . . ?
C16 N4 C19 C20 -173.8(5) . . . . ?
C16 C17 C18 C19 0.2(6) . . . . ?
C17 C18 C19 N4 -1.8(6) . . . . ?
C17 C18 C19 C20 174.7(5) . . . . ?
C18 C19 C20 C1 -174.3(5) . . . . ?
C18 C19 C20 C46 0.7(7) . . . . ?
C19 N4 C16 C15 173.0(5) . . . . ?
C19 N4 C16 C17 -2.6(5) . . . . ?
C19 C20 C46 C47 99.5(6) . . . . ?
C19 C20 C46 C51 -83.5(7) . . . . ?
C20 C1 C2 C3 -175.2(5) . . . . ?
C20 C46 C47 C48 178.7(6) . . . . ?
C20 C46 C51 C50 -179.3(5) . . . . ?
C21 C5 C6 N2 -176.3(5) . . . . ?
C21 C5 C6 C7 2.5(7) . . . . ?
C22 Si1 C23 C24 49.6(6) . . . . ?
C22 Si1 C23 C25 -73.0(6) . . . . ?
C22 Si1 C29A C30A 26.7(15) . . . . ?
C22 Si1 C29A C31A -100.0(11) . . . . ?
C23 Si1 C29A C30A 149.4(13) . . . . ?
C23 Si1 C29A C31A 22.7(14) . . . . ?
C26 Si1 C23 C24 165.5(5) . . . . ?
C26 Si1 C23 C25 42.9(6) . . . . ?
C26 Si1 C29A C30A -86.7(15) . . . . ?
C26 Si1 C29A C31A 146.6(11) . . . . ?
C29 Si1 C23 C24 -60.5(7) . . . . ?
C29 Si1 C23 C25 177.0(7) . . . . ?
C32 C10 C11 N3 172.9(5) . . . . ?
C32 C10 C11 C12 -9.6(8) . . . . ?
C32 C33 C34 C35 3.1(8) . . . . ?
C32 C33 C34 C38 -177.2(5) . . . . ?
C33 C32 C37 C36 -0.4(9) . . . . ?
C33 C34 C35 C36 -1.1(9) . . . . ?
C33 C34 C38 C39 46.6(7) . . . . ?
C33 C34 C38 C40 -72.2(6) . . . . ?
C33 C34 C38 C41 167.0(5) . . . . ?
C34 C35 C36 C37 -1.5(9) . . . . ?
C34 C35 C36 C42 -178.0(6) . . . . ?
C35 C34 C38 C39 -133.8(6) . . . . ?
C35 C34 C38 C40 107.4(6) . . . . ?
C35 C34 C38 C41 -13.4(8) . . . . ?
C35 C36 C37 C32 2.3(9) . . . . ?
C35 C36 C42 C43 -8.4(10) . . . . ?
C35 C36 C42 C44 -131.3(7) . . . . ?
C35 C36 C42 C45 111.0(7) . . . . ?
C37 C32 C33 C34 -2.5(9) . . . . ?
C37 C36 C42 C43 175.2(6) . . . . ?
C37 C36 C42 C44 52.3(8) . . . . ?
C37 C36 C42 C45 -65.4(8) . . . . ?
C38 C34 C35 C36 179.3(6) . . . . ?
C42 C36 C37 C32 178.9(6) . . . . ?
C46 C47 C48 C49 0.4(10) . . . . ?
C46 C47 C48 C52 -172.5(8) . . . . ?
C46 C47 C48 C52A 163.3(14) . . . . ?
C47 C46 C51 C50 -2.3(9) . . . . ?
C47 C48 C49 C50 -2.1(10) . . . . ?
C47 C48 C52 C53 -118.9(9) . . . . ?
C47 C48 C52 C54 123.0(9) . . . . ?
C47 C48 C52 C55 2.2(14) . . . . ?
C47 C48 C52A C53A -90(2) . . . . ?
C47 C48 C52A C54A 150.8(15) . . . . ?
C47 C48 C52A C55A 35(3) . . . . ?
C48 C49 C50 C51 1.5(10) . . . . ?
C48 C49 C50 C56 -176.9(6) . . . . ?
C49 C48 C52 C53 68.2(11) . . . . ?
C49 C48 C52 C54 -49.8(12) . . . . ?
C49 C48 C52 C55 -170.6(9) . . . . ?
C49 C48 C52A C53A 72(2) . . . . ?
C49 C48 C52A C54A -47(2) . . . . ?
C49 C48 C52A C55A -162.7(19) . . . . ?
C49 C50 C51 C46 0.7(9) . . . . ?
C49 C50 C56 C57 -7.1(9) . . . . ?
C49 C50 C56 C58 112.9(7) . . . . ?
C49 C50 C56 C59 -126.7(7) . . . . ?
C51 C46 C47 C48 1.7(10) . . . . ?
C51 C50 C56 C57 174.5(6) . . . . ?
C51 C50 C56 C58 -65.5(7) . . . . ?
C51 C50 C56 C59 54.8(8) . . . . ?
C52 C48 C49 C50 171.1(8) . . . . ?
C56 C50 C51 C46 179.2(6) . . . . ?
C60 C15 C16 N4 -179.0(4) . . . . ?
C60 C15 C16 C17 -3.9(7) . . . . ?
C74 C75 C76 Co1 61.0(4) . . . . ?
C74 C75 C76 C77 0.0(6) . . . . ?
C75 C74 C78 Co1 -59.4(4) . . . . ?
C75 C74 C78 C77 1.5(7) . . . . ?
C75 C76 C77 Co1 60.9(4) . . . . ?
C75 C76 C77 C78 0.9(7) . . . . ?
C76 C77 C78 Co1 59.3(5) . . . . ?
C76 C77 C78 C74 -1.5(8) . . . . ?
C78 C74 C75 Co1 60.2(5) . . . . ?
C78 C74 C75 C76 -0.9(7) . . . . ?
C29A Si1 C23 C24 -75.4(8) . . . . ?
C29A Si1 C23 C25 162.1(7) . . . . ?
C52A C48 C49 C50 -164.0(15) . . . . ?
C232 C128 C129 C130 169.7(9) . . . . ?
C206 Si81 C103 C104 -47.6(10) . . . . ?
C206 Si81 C103 C105 -170.8(10) . . . . ?
C206 Si81 C109 C110 81.6(12) . . . . ?
C206 Si81 C109 C111 -50.7(13) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_diffrn_ambient_temperature_device 'Oxford Cryosystems'
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.483
_oxdiff_exptl_absorpt_empirical_full_min 0.755
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.9615(5)
2 0.0385(5)

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_P1starZn
_database_code_depnum_ccdc_archive 'CCDC 1565177'
_audit_update_record             
;
2017-07-27 deposited with the CCDC.
2018-10-18 downloaded from the CCDC.
;
_audit_creation_date             2017-02-14
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2017.02.06 svn.r3384 for OlexSys, GUI svn.r5312)
;
#2016ncs0714
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C77 H95 N7 Si2 Zn, 0.5(C H2 Cl2)'
_chemical_formula_sum            'C77.50 H96 Cl N7 Si2 Zn'
_chemical_formula_weight         1282.61
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C72 H90 N6 Si2 Zn'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.1710(4)
_cell_length_b                   14.3764(4)
_cell_length_c                   19.9456(6)
_cell_angle_alpha                90.736(2)
_cell_angle_beta                 91.970(2)
_cell_angle_gamma                108.933(3)
_cell_volume                     3569.14(19)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    19953
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.5160
_cell_measurement_theta_min      2.4800
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.462
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.67269
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.9g (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'iridescent blue-green'
_exptl_crystal_density_diffrn    1.193
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1370
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.065
_exptl_crystal_size_min          0.015
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0631
_diffrn_reflns_av_unetI/netI     0.0765
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            57370
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.485
_diffrn_reflns_theta_min         2.504
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_detector_type            'Rigaku HG Saturn724+ (2x2 bin mode)'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -31.00  77.00   1.00   10.00    --  -13.00  72.00-120.00  108
  2  ω    -70.00  23.00   1.00   10.00    --  -13.00 -72.00 120.00   93
  3  ω    -63.00  23.00   1.00   10.00    --  -13.00 -72.00 -60.00   86
  4  ω    -85.00 -10.00   1.00   10.00    --  -13.00   0.00 120.00   75
  5  ω    -15.00   5.00   1.00   10.00    --  -13.00 -54.00 -30.00   20
  6  ω    -31.00  77.00   1.00   10.00    --  -13.00  72.00-150.00  108
  7  ω    -67.00  23.00   1.00   10.00    --  -13.00 -72.00  90.00   90
  8  ω    -65.00   7.00   1.00   10.00    --  -13.00 -72.00 -90.00   72
;
_diffrn_measurement_device       'four-circle κ goniometer'
_diffrn_measurement_device_type  
'Rigaku FRE+ equipped with VHF Varimax confocal mirrors and an AFC12 goniometer and HG Saturn 724+ detector'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support 'MiTeGen MicroLoop'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0309726000
_diffrn_orient_matrix_UB_12      0.0247817000
_diffrn_orient_matrix_UB_13      0.0165681000
_diffrn_orient_matrix_UB_21      -0.0135431000
_diffrn_orient_matrix_UB_22      0.0167506000
_diffrn_orient_matrix_UB_23      -0.0312786000
_diffrn_orient_matrix_UB_31      -0.0458705000
_diffrn_orient_matrix_UB_32      -0.0427513000
_diffrn_orient_matrix_UB_33      -0.0037543000
_diffrn_radiation_collimation    0.2
_diffrn_radiation_monochromator  'Confocal mirrors, VHF Varimax'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_xray_symbol    K-L~3~
_diffrn_source                   'Rotating Anode'
_diffrn_source_current           55.0
_diffrn_source_power             2.475
_diffrn_source_target            Mo
_diffrn_source_type              'Rigaku FRE+'
_diffrn_source_voltage           45.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11197
_reflns_number_total             16242
_reflns_odcompleteness_completeness 99.27
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.42
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.9g (Rigaku OD, 2015)'
_computing_data_collection       'CrystalClear-SM Expert 3.1 b27 (Rigaku, 2013)'
_computing_data_reduction        'CrysAlisPro 1.171.39.9g (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.161
_refine_diff_density_min         -0.904
_refine_diff_density_rms         0.094
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     897
_refine_ls_number_reflns         16242
_refine_ls_number_restraints     986
_refine_ls_R_factor_all          0.1224
_refine_ls_R_factor_gt           0.0814
_refine_ls_restrained_S_all      1.025
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1010P)²+7.1998P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1989
_refine_ls_wR_factor_ref         0.2218
_refine_special_details          
'There is disorder of one silyl side arm and the coordinating pyridine and the solvent DCM lies oer an inversion centre. As such various geometrical (SAME, SADI, DFIX) and displacement (DELU, RIGU) restraints have been used, along with some displacement contraints (EADP).'
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C201-Cl22
 1.7 with sigma of 0.02
 C201-Cl21 \\sim C201-Cl22
 with sigma of 0.02
 C22-Si1 \\sim C34-Si2 \\sim C34-Si2B
 with sigma of 0.02
3. Rigid bond restraints
 C201, Cl21, Cl22
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 N101, C101, C102, C103, C104, C105, N111, C111, C112, C113, C114, C115
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
Uanis(Si2B) = Uanis(C35B) = Uanis(C36B) = Uanis(C37B) = Uanis(C38B) = Uanis(N6B)
Uanis(C39B) = Uanis(C40B) = Uanis(C41B)
Uanis(C42B) = Uanis(C43B) = Uanis(C44B)
Uanis(C35) = Uanis(C36) = Uanis(C37) = Uanis(C38) = Uanis(N6)
Uanis(C39) = Uanis(C40) = Uanis(C41)
Uanis(C42) = Uanis(C43) = Uanis(C44)
5. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Same fragment restrains
{Si2, C35, C36, C37, C38, N6, C39, C40, C41, C42, C43, C44} sigma for 1-2:
0.02, 1-3: 0.04
as
{Si2B, C35B, C36B, C37B, C38B, N6B, C39B, C40B, C41B, C42B, C43B, C44B}
{N101, C101, C102, C103, C104, C105} sigma for 1-2: 0.02, 1-3: 0.04
as
{N111, C111, C112, C113, C114, C115}
7. Others
 Sof(Si2B)=Sof(C35B)=Sof(H35C)=Sof(H35D)=Sof(C36B)=Sof(H36C)=Sof(H36D)=
 Sof(C37B)=Sof(H37C)=Sof(H37D)=Sof(C38B)=Sof(N6B)=Sof(C39B)=Sof(H39B)=Sof(C40B)=
 Sof(H40D)=Sof(H40E)=Sof(H40F)=Sof(C41B)=Sof(H41D)=Sof(H41E)=Sof(H41F)=
 Sof(C42B)=Sof(H42B)=Sof(C43B)=Sof(H43D)=Sof(H43E)=Sof(H43F)=Sof(C44B)=
 Sof(H44D)=Sof(H44E)=Sof(H44F)=1-FVAR(1)
 Sof(Si2)=Sof(C35)=Sof(H35A)=Sof(H35B)=Sof(C36)=Sof(H36A)=Sof(H36B)=Sof(C37)=
 Sof(H37A)=Sof(H37B)=Sof(C38)=Sof(N6)=Sof(C39)=Sof(H39)=Sof(C40)=Sof(H40A)=
 Sof(H40B)=Sof(H40C)=Sof(C41)=Sof(H41A)=Sof(H41B)=Sof(H41C)=Sof(C42)=Sof(H42)=
 Sof(C43)=Sof(H43A)=Sof(H43B)=Sof(H43C)=Sof(C44)=Sof(H44A)=Sof(H44B)=Sof(H44C)=
 FVAR(1)
 Sof(N111)=Sof(C111)=Sof(H111)=Sof(C112)=Sof(H112)=Sof(C113)=Sof(H113)=
 Sof(C114)=Sof(H114)=Sof(C115)=Sof(H115)=1-FVAR(2)
 Sof(N101)=Sof(C101)=Sof(H101)=Sof(C102)=Sof(H102)=Sof(C103)=Sof(H103)=
 Sof(C104)=Sof(H104)=Sof(C105)=Sof(H105)=FVAR(2)
 Fixed Sof: Cl22(0.5) C201(0.5) H20A(0.5) H20B(0.5) Cl21(0.5)
8.a Ternary CH refined with riding coordinates:
 C30(H30), C27(H27), C39(H39), C42(H42), C39B(H39B), C42B(H42B)
8.b Secondary CH2 refined with riding coordinates:
 C23(H23A,H23B), C24(H24A,H24B), C25(H25A,H25B), C35(H35A,H35B), C36(H36A,
 H36B), C37(H37A,H37B), C201(H20A,H20B), C35B(H35C,H35D), C36B(H36C,H36D),
 C37B(H37C,H37D)
8.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C7(H7), C8(H8), C12(H12), C13(H13), C17(H17), C18(H18),
 C46(H46), C48(H48), C50(H50), C60(H60), C62(H62), C64(H64), C101(H101),
 C102(H102), C103(H103), C104(H104), C105(H105), C111(H111), C112(H112),
 C113(H113), C114(H114), C115(H115)
8.d Idealised Me refined as rotating group:
 C31(H31A,H31B,H31C), C32(H32A,H32B,H32C), C28(H28A,H28B,H28C), C29(H29A,H29B,
 H29C), C40(H40A,H40B,H40C), C41(H41A,H41B,H41C), C43(H43A,H43B,H43C), C44(H44A,
 H44B,H44C), C52(H52A,H52B,H52C), C53(H53A,H53B,H53C), C54(H54A,H54B,H54C),
 C56(H56A,H56B,H56C), C57(H57A,H57B,H57C), C58(H58A,H58B,H58C), C66(H66A,H66B,
 H66C), C67(H67A,H67B,H67C), C68(H68A,H68B,H68C), C70(H70A,H70B,H70C), C71(H71A,
 H71B,H71C), C72(H72A,H72B,H72C), C40B(H40D,H40E,H40F), C41B(H41D,H41E,H41F),
 C43B(H43D,H43E,H43F), C44B(H44D,H44E,H44F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.53849(3) 0.70289(3) 0.74053(2) 0.02221(13) Uani 1 1 d . U . . .
N1 N 0.6500(2) 0.6929(2) 0.67321(16) 0.0223(6) Uani 1 1 d . U . . .
N2 N 0.4339(2) 0.5698(2) 0.70341(16) 0.0244(7) Uani 1 1 d . U . . .
N3 N 0.4073(2) 0.7282(2) 0.78249(16) 0.0239(7) Uani 1 1 d . U . . .
N4 N 0.6240(2) 0.8506(2) 0.75319(16) 0.0238(7) Uani 1 1 d . U . . .
C1 C 0.7466(3) 0.7628(3) 0.66096(19) 0.0227(7) Uani 1 1 d . U . . .
C2 C 0.8018(3) 0.7255(3) 0.6118(2) 0.0262(8) Uani 1 1 d . U . . .
H2 H 0.8701 0.7594 0.5948 0.031 Uiso 1 1 calc R . . . .
C3 C 0.7384(3) 0.6330(3) 0.5943(2) 0.0275(8) Uani 1 1 d . U . . .
H3 H 0.7536 0.5897 0.5629 0.033 Uiso 1 1 calc R . . . .
C4 C 0.6430(3) 0.6131(3) 0.6329(2) 0.0233(8) Uani 1 1 d . U . . .
C5 C 0.5556(3) 0.5259(3) 0.6269(2) 0.0232(8) Uani 1 1 d . U . . .
C6 C 0.4582(3) 0.5074(3) 0.6593(2) 0.0248(8) Uani 1 1 d . U . . .
C7 C 0.3677(3) 0.4192(3) 0.6491(2) 0.0294(9) Uani 1 1 d . U . . .
H7 H 0.3638 0.3642 0.6210 0.035 Uiso 1 1 calc R . . . .
C8 C 0.2888(3) 0.4298(3) 0.6874(2) 0.0301(9) Uani 1 1 d . U . . .
H8 H 0.2189 0.3835 0.6910 0.036 Uiso 1 1 calc R . . . .
C9 C 0.3305(3) 0.5240(3) 0.7217(2) 0.0258(8) Uani 1 1 d . U . . .
C10 C 0.2718(3) 0.5641(3) 0.7648(2) 0.0265(8) Uani 1 1 d . U . . .
C11 C 0.3080(3) 0.6596(3) 0.7924(2) 0.0251(8) Uani 1 1 d . U . . .
C12 C 0.2491(3) 0.7014(3) 0.8357(2) 0.0290(8) Uani 1 1 d . U . . .
H12 H 0.1790 0.6693 0.8508 0.035 Uiso 1 1 calc R . . . .
C13 C 0.3110(3) 0.7948(3) 0.8512(2) 0.0289(8) Uani 1 1 d . U . . .
H13 H 0.2928 0.8410 0.8787 0.035 Uiso 1 1 calc R . . . .
C14 C 0.4104(3) 0.8105(3) 0.8176(2) 0.0248(8) Uani 1 1 d . U . . .
C15 C 0.4967(3) 0.8989(3) 0.8215(2) 0.0264(8) Uani 1 1 d . U . . .
C16 C 0.5959(3) 0.9174(3) 0.7907(2) 0.0280(8) Uani 1 1 d . U . . .
C17 C 0.6817(3) 1.0099(3) 0.7940(2) 0.0370(10) Uani 1 1 d . U . . .
H17 H 0.6822 1.0683 0.8171 0.044 Uiso 1 1 calc R . . . .
C18 C 0.7614(3) 0.9976(3) 0.7580(2) 0.0331(9) Uani 1 1 d . U . . .
H18 H 0.8292 1.0457 0.7514 0.040 Uiso 1 1 calc R . . . .
C19 C 0.7251(3) 0.8987(3) 0.7316(2) 0.0261(8) Uani 1 1 d . U . . .
C20 C 0.7839(3) 0.8582(3) 0.6886(2) 0.0238(8) Uani 1 1 d . U . . .
C21 C 0.5647(3) 0.4494(3) 0.5834(2) 0.0267(8) Uani 1 1 d . U . . .
C22 C 0.5734(3) 0.3838(3) 0.5487(2) 0.0294(9) Uani 1 1 d D U . . .
Si1 Si 0.59886(8) 0.28308(8) 0.50170(6) 0.0278(3) Uani 1 1 d D U . . .
C23 C 0.7048(3) 0.3401(3) 0.4400(2) 0.0365(10) Uani 1 1 d . U . . .
H23A H 0.7485 0.2964 0.4335 0.044 Uiso 1 1 calc R . . . .
H23B H 0.6691 0.3446 0.3962 0.044 Uiso 1 1 calc R . . . .
C24 C 0.7787(3) 0.4416(3) 0.4615(2) 0.0365(10) Uani 1 1 d . U . . .
H24A H 0.8028 0.4399 0.5089 0.044 Uiso 1 1 calc R . . . .
H24B H 0.7377 0.4883 0.4590 0.044 Uiso 1 1 calc R . . . .
C25 C 0.8779(3) 0.4798(3) 0.4188(2) 0.0354(10) Uani 1 1 d . U . . .
H25A H 0.8549 0.4752 0.3707 0.042 Uiso 1 1 calc R . . . .
H25B H 0.9160 0.5499 0.4306 0.042 Uiso 1 1 calc R . . . .
C26 C 0.9511(3) 0.4226(3) 0.4298(2) 0.0361(10) Uani 1 1 d . U . . .
N5 N 1.0077(3) 0.3783(3) 0.4412(2) 0.0489(10) Uani 1 1 d . U . . .
C30 C 0.4731(3) 0.2095(3) 0.4543(2) 0.0345(9) Uani 1 1 d . U . . .
H30 H 0.4475 0.2580 0.4293 0.041 Uiso 1 1 calc R . . . .
C31 C 0.4913(4) 0.1393(3) 0.4008(2) 0.0421(11) Uani 1 1 d . U . . .
H31A H 0.5464 0.1766 0.3706 0.063 Uiso 1 1 calc GR . . . .
H31B H 0.4240 0.1077 0.3749 0.063 Uiso 1 1 calc GR . . . .
H31C H 0.5151 0.0889 0.4227 0.063 Uiso 1 1 calc GR . . . .
C32 C 0.3815(3) 0.1548(4) 0.4984(3) 0.0437(11) Uani 1 1 d . U . . .
H32A H 0.4008 0.1036 0.5225 0.066 Uiso 1 1 calc GR . . . .
H32B H 0.3163 0.1245 0.4704 0.066 Uiso 1 1 calc GR . . . .
H32C H 0.3687 0.2012 0.5308 0.066 Uiso 1 1 calc GR . . . .
C27 C 0.6529(3) 0.2139(3) 0.5647(2) 0.0355(9) Uani 1 1 d . U . . .
H27 H 0.7279 0.2566 0.5770 0.043 Uiso 1 1 calc R . . . .
C28 C 0.5939(5) 0.1943(4) 0.6295(3) 0.0571(14) Uani 1 1 d . U . . .
H28A H 0.5871 0.2558 0.6473 0.086 Uiso 1 1 calc GR . . . .
H28B H 0.6342 0.1682 0.6623 0.086 Uiso 1 1 calc GR . . . .
H28C H 0.5222 0.1462 0.6210 0.086 Uiso 1 1 calc GR . . . .
C29 C 0.6617(4) 0.1181(3) 0.5353(3) 0.0482(12) Uani 1 1 d . U . . .
H29A H 0.5898 0.0732 0.5227 0.072 Uiso 1 1 calc GR . . . .
H29B H 0.6958 0.0874 0.5689 0.072 Uiso 1 1 calc GR . . . .
H29C H 0.7052 0.1324 0.4955 0.072 Uiso 1 1 calc GR . . . .
C33 C 0.4828(3) 0.9805(3) 0.8584(2) 0.0324(9) Uani 1 1 d . U . . .
C34 C 0.4728(4) 1.0498(4) 0.8875(2) 0.0408(10) Uani 1 1 d D U . . .
Si2 Si 0.4679(2) 1.16959(17) 0.92099(13) 0.0329(6) Uani 0.689(5) 1 d D U P A 1
C35 C 0.3337(10) 1.1447(11) 0.9575(6) 0.1010(19) Uani 0.689(5) 1 d D U P A 1
H35A H 0.3252 1.2079 0.9715 0.121 Uiso 0.689(5) 1 calc R . P A 1
H35B H 0.2774 1.1137 0.9225 0.121 Uiso 0.689(5) 1 calc R . P A 1
C36 C 0.3173(10) 1.0787(11) 1.0169(6) 0.1010(19) Uani 0.689(5) 1 d D U P A 1
H36A H 0.3348 1.0187 1.0050 0.121 Uiso 0.689(5) 1 calc R . P A 1
H36B H 0.3663 1.1132 1.0547 0.121 Uiso 0.689(5) 1 calc R . P A 1
C37 C 0.2033(9) 1.0503(10) 1.0380(6) 0.1010(19) Uani 0.689(5) 1 d D U P A 1
H37A H 0.1966 1.0154 1.0810 0.121 Uiso 0.689(5) 1 calc R . P A 1
H37B H 0.1835 1.1104 1.0454 0.121 Uiso 0.689(5) 1 calc R . P A 1
C38 C 0.1321(10) 0.9889(11) 0.9887(6) 0.1010(19) Uani 0.689(5) 1 d D U P A 1
N6 N 0.0595(8) 0.9292(8) 0.9486(5) 0.1010(19) Uani 0.689(5) 1 d D U P A 1
C39 C 0.5773(7) 1.2157(8) 0.9881(5) 0.0415(10) Uani 0.689(5) 1 d D U P A 1
H39 H 0.5621 1.1644 1.0231 0.050 Uiso 0.689(5) 1 calc R . P A 1
C40 C 0.5700(6) 1.3090(5) 1.0222(3) 0.0415(10) Uani 0.689(5) 1 d D U P A 1
H40A H 0.5856 1.3621 0.9900 0.062 Uiso 0.689(5) 1 calc GR . P A 1
H40B H 0.6223 1.3281 1.0602 0.062 Uiso 0.689(5) 1 calc GR . P A 1
H40C H 0.4975 1.2964 1.0384 0.062 Uiso 0.689(5) 1 calc GR . P A 1
C41 C 0.6884(6) 1.2258(5) 0.9637(4) 0.0415(10) Uani 0.689(5) 1 d D U P A 1
H41A H 0.6877 1.1632 0.9434 0.062 Uiso 0.689(5) 1 calc GR . P A 1
H41B H 0.7406 1.2433 1.0018 0.062 Uiso 0.689(5) 1 calc GR . P A 1
H41C H 0.7084 1.2773 0.9304 0.062 Uiso 0.689(5) 1 calc GR . P A 1
C42 C 0.4923(9) 1.2624(8) 0.8509(5) 0.0773(17) Uani 0.689(5) 1 d D U P A 1
H42 H 0.5457 1.3240 0.8707 0.093 Uiso 0.689(5) 1 calc R . P A 1
C43 C 0.5444(9) 1.2362(8) 0.7926(5) 0.0773(17) Uani 0.689(5) 1 d D U P A 1
H43A H 0.6043 1.2146 0.8082 0.116 Uiso 0.689(5) 1 calc GR . P A 1
H43B H 0.5715 1.2938 0.7645 0.116 Uiso 0.689(5) 1 calc GR . P A 1
H43C H 0.4919 1.1829 0.7663 0.116 Uiso 0.689(5) 1 calc GR . P A 1
C44 C 0.4000(9) 1.2903(8) 0.8300(5) 0.0773(17) Uani 0.689(5) 1 d D U P A 1
H44A H 0.3485 1.2358 0.8042 0.116 Uiso 0.689(5) 1 calc GR . P A 1
H44B H 0.4233 1.3484 0.8020 0.116 Uiso 0.689(5) 1 calc GR . P A 1
H44C H 0.3659 1.3056 0.8697 0.116 Uiso 0.689(5) 1 calc GR . P A 1
C45 C 0.1623(3) 0.4996(3) 0.7802(2) 0.0268(8) Uani 1 1 d . U . . .
C46 C 0.1490(3) 0.4108(3) 0.8112(2) 0.0284(8) Uani 1 1 d . U . . .
H46 H 0.2105 0.3931 0.8233 0.034 Uiso 1 1 calc R . . . .
C47 C 0.0476(3) 0.3472(3) 0.8251(2) 0.0278(8) Uani 1 1 d . U . . .
C48 C -0.0408(3) 0.3760(3) 0.8067(2) 0.0296(9) Uani 1 1 d . U . . .
H48 H -0.1107 0.3329 0.8153 0.035 Uiso 1 1 calc R . . . .
C49 C -0.0311(3) 0.4643(3) 0.7767(2) 0.0284(8) Uani 1 1 d . U . . .
C50 C 0.0710(3) 0.5251(3) 0.7632(2) 0.0260(8) Uani 1 1 d . U . . .
H50 H 0.0793 0.5857 0.7419 0.031 Uiso 1 1 calc R . . . .
C51 C 0.0369(3) 0.2484(3) 0.8576(2) 0.0364(10) Uani 1 1 d . U . . .
C52 C 0.1087(4) 0.2655(4) 0.9216(3) 0.0530(13) Uani 1 1 d . U . . .
H52A H 0.1840 0.2949 0.9101 0.080 Uiso 1 1 calc GR . . . .
H52B H 0.0989 0.2026 0.9432 0.080 Uiso 1 1 calc GR . . . .
H52C H 0.0891 0.3101 0.9523 0.080 Uiso 1 1 calc GR . . . .
C53 C 0.0723(4) 0.1841(4) 0.8072(3) 0.0494(12) Uani 1 1 d . U . . .
H53A H 0.0246 0.1714 0.7669 0.074 Uiso 1 1 calc GR . . . .
H53B H 0.0685 0.1216 0.8277 0.074 Uiso 1 1 calc GR . . . .
H53C H 0.1462 0.2184 0.7949 0.074 Uiso 1 1 calc GR . . . .
C54 C -0.0783(4) 0.1935(4) 0.8764(3) 0.0469(12) Uani 1 1 d . U . . .
H54A H -0.1002 0.2320 0.9105 0.070 Uiso 1 1 calc GR . . . .
H54B H -0.0821 0.1293 0.8942 0.070 Uiso 1 1 calc GR . . . .
H54C H -0.1263 0.1841 0.8364 0.070 Uiso 1 1 calc GR . . . .
C55 C -0.1324(3) 0.4902(3) 0.7551(2) 0.0362(10) Uani 1 1 d . U . . .
C56 C -0.1788(4) 0.4339(4) 0.6902(3) 0.0562(14) Uani 1 1 d . U . . .
H56A H -0.1274 0.4564 0.6547 0.084 Uiso 1 1 calc GR . . . .
H56B H -0.2460 0.4455 0.6773 0.084 Uiso 1 1 calc GR . . . .
H56C H -0.1929 0.3634 0.6967 0.084 Uiso 1 1 calc GR . . . .
C57 C -0.2154(4) 0.4611(5) 0.8091(3) 0.0727(19) Uani 1 1 d . U . . .
H57A H -0.2411 0.3894 0.8128 0.109 Uiso 1 1 calc GR . . . .
H57B H -0.2760 0.4839 0.7970 0.109 Uiso 1 1 calc GR . . . .
H57C H -0.1825 0.4914 0.8522 0.109 Uiso 1 1 calc GR . . . .
C58 C -0.1073(4) 0.5999(4) 0.7448(3) 0.0432(11) Uani 1 1 d . U . . .
H58A H -0.0685 0.6366 0.7847 0.065 Uiso 1 1 calc GR . . . .
H58B H -0.1745 0.6144 0.7372 0.065 Uiso 1 1 calc GR . . . .
H58C H -0.0628 0.6195 0.7057 0.065 Uiso 1 1 calc GR . . . .
C59 C 0.8923(3) 0.9234(3) 0.67037(19) 0.0240(8) Uani 1 1 d . U . . .
C60 C 0.9016(3) 1.0068(3) 0.63283(19) 0.0232(8) Uani 1 1 d . U . . .
H60 H 0.8385 1.0202 0.6183 0.028 Uiso 1 1 calc R . . . .
C61 C 1.0018(3) 1.0708(3) 0.61617(19) 0.0219(7) Uani 1 1 d . U . . .
C62 C 1.0924(3) 1.0474(3) 0.63701(19) 0.0241(8) Uani 1 1 d . U . . .
H62 H 1.1612 1.0903 0.6261 0.029 Uiso 1 1 calc R . . . .
C63 C 1.0860(3) 0.9639(3) 0.67311(19) 0.0241(8) Uani 1 1 d . U . . .
C64 C 0.9847(3) 0.9030(3) 0.6901(2) 0.0266(8) Uani 1 1 d . U . . .
H64 H 0.9789 0.8464 0.7158 0.032 Uiso 1 1 calc R . . . .
C65 C 1.0078(3) 1.1618(3) 0.5746(2) 0.0252(8) Uani 1 1 d . U . . .
C66 C 0.9522(3) 1.2253(3) 0.6111(2) 0.0316(9) Uani 1 1 d . U . . .
H66A H 0.8781 1.1855 0.6196 0.047 Uiso 1 1 calc GR . . . .
H66B H 0.9519 1.2808 0.5831 0.047 Uiso 1 1 calc GR . . . .
H66C H 0.9911 1.2503 0.6538 0.047 Uiso 1 1 calc GR . . . .
C67 C 1.1239(3) 1.2251(3) 0.5639(2) 0.0294(9) Uani 1 1 d . U . . .
H67A H 1.1619 1.2451 0.6075 0.044 Uiso 1 1 calc GR . . . .
H67B H 1.1245 1.2837 0.5392 0.044 Uiso 1 1 calc GR . . . .
H67C H 1.1597 1.1871 0.5382 0.044 Uiso 1 1 calc GR . . . .
C68 C 0.9530(3) 1.1271(3) 0.5055(2) 0.0315(9) Uani 1 1 d . U . . .
H68A H 0.9914 1.0891 0.4822 0.047 Uiso 1 1 calc GR . . . .
H68B H 0.9542 1.1844 0.4790 0.047 Uiso 1 1 calc GR . . . .
H68C H 0.8785 1.0858 0.5110 0.047 Uiso 1 1 calc GR . . . .
C69 C 1.1868(3) 0.9410(3) 0.6977(2) 0.0311(9) Uani 1 1 d . U . . .
C70 C 1.2862(4) 1.0005(4) 0.6606(3) 0.0572(15) Uani 1 1 d . U . . .
H70A H 1.2728 0.9875 0.6122 0.086 Uiso 1 1 calc GR . . . .
H70B H 1.3480 0.9812 0.6756 0.086 Uiso 1 1 calc GR . . . .
H70C H 1.3013 1.0708 0.6703 0.086 Uiso 1 1 calc GR . . . .
C71 C 1.2051(4) 0.9692(4) 0.7724(2) 0.0450(11) Uani 1 1 d . U . . .
H71A H 1.2102 1.0383 0.7788 0.067 Uiso 1 1 calc GR . . . .
H71B H 1.2720 0.9599 0.7890 0.067 Uiso 1 1 calc GR . . . .
H71C H 1.1448 0.9274 0.7972 0.067 Uiso 1 1 calc GR . . . .
C72 C 1.1724(4) 0.8321(3) 0.6873(3) 0.0423(11) Uani 1 1 d . U . . .
H72A H 1.1119 0.7928 0.7130 0.063 Uiso 1 1 calc GR . . . .
H72B H 1.2380 0.8195 0.7027 0.063 Uiso 1 1 calc GR . . . .
H72C H 1.1579 0.8142 0.6395 0.063 Uiso 1 1 calc GR . . . .
N101 N 0.5936(15) 0.6585(16) 0.8322(12) 0.029(4) Uani 0.43(3) 1 d D U P B 1
C101 C 0.6968(17) 0.685(2) 0.8543(13) 0.084(9) Uani 0.43(3) 1 d D U P B 1
H101 H 0.7497 0.7271 0.8273 0.100 Uiso 0.43(3) 1 calc R . P B 1
C102 C 0.7303(17) 0.6548(19) 0.9142(13) 0.093(10) Uani 0.43(3) 1 d D U P B 1
H102 H 0.7998 0.6884 0.9334 0.111 Uiso 0.43(3) 1 calc R . P B 1
C103 C 0.6639(15) 0.5776(13) 0.9448(8) 0.043(4) Uani 0.43(3) 1 d D U P B 1
H103 H 0.6843 0.5553 0.9862 0.051 Uiso 0.43(3) 1 calc R . P B 1
C104 C 0.5658(14) 0.5324(12) 0.9140(8) 0.044(4) Uani 0.43(3) 1 d D U P B 1
H104 H 0.5160 0.4771 0.9336 0.053 Uiso 0.43(3) 1 calc R . P B 1
C105 C 0.5390(12) 0.5678(12) 0.8536(9) 0.038(3) Uani 0.43(3) 1 d D U P B 1
H105 H 0.4804 0.5269 0.8265 0.046 Uiso 0.43(3) 1 calc R . P B 1
Cl22 Cl 0.0129(4) 0.6301(5) 0.9450(2) 0.137(2) Uani 0.5 1 d D U P C -1
C201 C 0.074(2) 0.5617(12) 1.0008(10) 0.147(6) Uani 0.5 1 d D U P C -1
H20A H 0.1218 0.5332 0.9762 0.177 Uiso 0.5 1 calc R . P C -1
H20B H 0.1159 0.6038 1.0386 0.177 Uiso 0.5 1 calc R . P C -1
Cl21 Cl -0.0405(13) 0.4685(6) 1.0289(6) 0.272(7) Uani 0.5 1 d D U P C -1
Si2B Si 0.4375(7) 1.1447(7) 0.9324(5) 0.082(2) Uani 0.311(5) 1 d D U P A 2
C35B C 0.5622(15) 1.217(3) 0.9806(13) 0.082(2) Uani 0.311(5) 1 d D U P A 2
H35C H 0.5480 1.2712 1.0051 0.098 Uiso 0.311(5) 1 calc R . P A 2
H35D H 0.5790 1.1735 1.0145 0.098 Uiso 0.311(5) 1 calc R . P A 2
C36B C 0.6570(14) 1.2582(17) 0.9405(12) 0.082(2) Uani 0.311(5) 1 d D U P A 2
H36C H 0.6727 1.2045 0.9159 0.098 Uiso 0.311(5) 1 calc R . P A 2
H36D H 0.6422 1.3030 0.9071 0.098 Uiso 0.311(5) 1 calc R . P A 2
C37B C 0.7497(14) 1.3120(16) 0.9831(12) 0.082(2) Uani 0.311(5) 1 d D U P A 2
H37C H 0.7656 1.2668 1.0158 0.098 Uiso 0.311(5) 1 calc R . P A 2
H37D H 0.8131 1.3382 0.9553 0.098 Uiso 0.311(5) 1 calc R . P A 2
C38B C 0.7301(17) 1.3909(15) 1.0181(12) 0.082(2) Uani 0.311(5) 1 d D U P A 2
N6B N 0.7175(14) 1.4643(13) 1.0497(10) 0.082(2) Uani 0.311(5) 1 d D U P A 2
C39B C 0.4042(14) 1.2172(11) 0.8604(8) 0.068(3) Uani 0.311(5) 1 d D U P A 2
H39B H 0.3262 1.1829 0.8495 0.082 Uiso 0.311(5) 1 calc R . P A 2
C40B C 0.4118(14) 1.3258(11) 0.8735(12) 0.068(3) Uani 0.311(5) 1 d D U P A 2
H40D H 0.4151 1.3392 0.9220 0.102 Uiso 0.311(5) 1 calc GR . P A 2
H40E H 0.3483 1.3374 0.8531 0.102 Uiso 0.311(5) 1 calc GR . P A 2
H40F H 0.4766 1.3694 0.8537 0.102 Uiso 0.311(5) 1 calc GR . P A 2
C41B C 0.4586(14) 1.2177(13) 0.7926(9) 0.068(3) Uani 0.311(5) 1 d D U P A 2
H41D H 0.5215 1.2770 0.7906 0.102 Uiso 0.311(5) 1 calc GR . P A 2
H41E H 0.4074 1.2169 0.7556 0.102 Uiso 0.311(5) 1 calc GR . P A 2
H41F H 0.4812 1.1593 0.7888 0.102 Uiso 0.311(5) 1 calc GR . P A 2
C42B C 0.3208(16) 1.1009(19) 0.9874(11) 0.103(5) Uani 0.311(5) 1 d D U P A 2
H42B H 0.3496 1.0528 1.0104 0.123 Uiso 0.311(5) 1 calc R . P A 2
C43B C 0.2293(15) 1.0232(18) 0.9547(13) 0.103(5) Uani 0.311(5) 1 d D U P A 2
H43D H 0.2140 0.9628 0.9803 0.154 Uiso 0.311(5) 1 calc GR . P A 2
H43E H 0.2472 1.0105 0.9089 0.154 Uiso 0.311(5) 1 calc GR . P A 2
H43F H 0.1659 1.0448 0.9531 0.154 Uiso 0.311(5) 1 calc GR . P A 2
C44B C 0.3094(18) 1.147(2) 1.0484(12) 0.103(5) Uani 0.311(5) 1 d D U P A 2
H44D H 0.3794 1.1931 1.0640 0.154 Uiso 0.311(5) 1 calc GR . P A 2
H44E H 0.2824 1.0973 1.0822 0.154 Uiso 0.311(5) 1 calc GR . P A 2
H44F H 0.2586 1.1834 1.0412 0.154 Uiso 0.311(5) 1 calc GR . P A 2
N111 N 0.6056(11) 0.6490(13) 0.8255(9) 0.028(3) Uani 0.57(3) 1 d D U P B 2
C111 C 0.7025(10) 0.7055(13) 0.8514(7) 0.045(3) Uani 0.57(3) 1 d D U P B 2
H111 H 0.7390 0.7642 0.8291 0.055 Uiso 0.57(3) 1 calc R . P B 2
C112 C 0.7510(15) 0.6834(17) 0.9077(8) 0.070(4) Uani 0.57(3) 1 d D U P B 2
H112 H 0.8214 0.7239 0.9214 0.084 Uiso 0.57(3) 1 calc R . P B 2
C113 C 0.700(2) 0.6052(18) 0.9437(9) 0.093(6) Uani 0.57(3) 1 d D U P B 2
H113 H 0.7354 0.5833 0.9796 0.112 Uiso 0.57(3) 1 calc R . P B 2
C114 C 0.594(2) 0.559(2) 0.9253(10) 0.122(9) Uani 0.57(3) 1 d D U P B 2
H114 H 0.5522 0.5067 0.9518 0.146 Uiso 0.57(3) 1 calc R . P B 2
C115 C 0.5465(14) 0.5859(16) 0.8685(10) 0.081(7) Uani 0.57(3) 1 d D U P B 2
H115 H 0.4709 0.5590 0.8605 0.097 Uiso 0.57(3) 1 calc R . P B 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn1 N1 2.061(3) . ?
Zn1 N2 2.072(3) . ?
Zn1 N3 2.078(3) . ?
Zn1 N4 2.063(3) . ?
Zn1 N101 2.126(16) . ?
Zn1 N111 2.152(12) . ?
N1 C1 1.373(5) . ?
N1 C4 1.369(5) . ?
N2 C6 1.366(5) . ?
N2 C9 1.371(5) . ?
N3 C11 1.381(5) . ?
N3 C14 1.356(5) . ?
N4 C16 1.360(5) . ?
N4 C19 1.374(5) . ?
C1 C2 1.437(5) . ?
C1 C20 1.397(5) . ?
C2 H2 0.9500 . ?
C2 C3 1.355(5) . ?
C3 H3 0.9500 . ?
C3 C4 1.446(5) . ?
C4 C5 1.401(5) . ?
C5 C6 1.405(5) . ?
C5 C21 1.429(5) . ?
C6 C7 1.438(5) . ?
C7 H7 0.9500 . ?
C7 C8 1.357(5) . ?
C8 H8 0.9500 . ?
C8 C9 1.439(5) . ?
C9 C10 1.411(5) . ?
C10 C11 1.397(6) . ?
C10 C45 1.485(5) . ?
C11 C12 1.430(5) . ?
C12 H12 0.9500 . ?
C12 C13 1.351(6) . ?
C13 H13 0.9500 . ?
C13 C14 1.444(5) . ?
C14 C15 1.403(5) . ?
C15 C16 1.411(5) . ?
C15 C33 1.440(6) . ?
C16 C17 1.438(5) . ?
C17 H17 0.9500 . ?
C17 C18 1.348(6) . ?
C18 H18 0.9500 . ?
C18 C19 1.432(5) . ?
C19 C20 1.415(5) . ?
C20 C59 1.491(5) . ?
C21 C22 1.201(5) . ?
C22 Si1 1.841(4) . ?
Si1 C23 1.880(4) . ?
Si1 C30 1.868(4) . ?
Si1 C27 1.872(4) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C24 1.514(6) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 C25 1.535(6) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C26 1.469(6) . ?
C26 N5 1.147(6) . ?
C30 H30 1.0000 . ?
C30 C31 1.536(6) . ?
C30 C32 1.524(6) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C27 H27 1.0000 . ?
C27 C28 1.514(7) . ?
C27 C29 1.529(6) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C33 C34 1.192(6) . ?
C34 Si2 1.861(5) . ?
C34 Si2B 1.813(9) . ?
Si2 C35 1.862(12) . ?
Si2 C39 1.879(8) . ?
Si2 C42 1.907(9) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C35 C36 1.504(16) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C36 C37 1.500(15) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C37 C38 1.416(15) . ?
C38 N6 1.299(14) . ?
C39 H39 1.0000 . ?
C39 C40 1.528(12) . ?
C39 C41 1.519(11) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42 1.0000 . ?
C42 C43 1.476(13) . ?
C42 C44 1.448(13) . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 C46 1.389(6) . ?
C45 C50 1.398(5) . ?
C46 H46 0.9500 . ?
C46 C47 1.390(5) . ?
C47 C48 1.396(5) . ?
C47 C51 1.536(6) . ?
C48 H48 0.9500 . ?
C48 C49 1.381(6) . ?
C49 C50 1.383(5) . ?
C49 C55 1.545(5) . ?
C50 H50 0.9500 . ?
C51 C52 1.530(7) . ?
C51 C53 1.539(7) . ?
C51 C54 1.528(6) . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 C56 1.517(7) . ?
C55 C57 1.525(7) . ?
C55 C58 1.522(6) . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 C60 1.395(5) . ?
C59 C64 1.388(5) . ?
C60 H60 0.9500 . ?
C60 C61 1.396(5) . ?
C61 C62 1.392(5) . ?
C61 C65 1.539(5) . ?
C62 H62 0.9500 . ?
C62 C63 1.388(5) . ?
C63 C64 1.394(5) . ?
C63 C69 1.535(5) . ?
C64 H64 0.9500 . ?
C65 C66 1.535(5) . ?
C65 C67 1.528(5) . ?
C65 C68 1.533(6) . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 C70 1.533(6) . ?
C69 C71 1.528(6) . ?
C69 C72 1.525(6) . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
N101 C101 1.343(15) . ?
N101 C105 1.350(14) . ?
C101 H101 0.9500 . ?
C101 C102 1.383(15) . ?
C102 H102 0.9500 . ?
C102 C103 1.340(16) . ?
C103 H103 0.9500 . ?
C103 C104 1.364(17) . ?
C104 H104 0.9500 . ?
C104 C105 1.392(13) . ?
C105 H105 0.9500 . ?
Cl22 C201 1.827(15) . ?
C201 H20A 0.9900 . ?
C201 H20B 0.9900 . ?
C201 Cl21 1.777(19) . ?
Si2B C35B 1.858(19) . ?
Si2B C39B 1.907(16) . ?
Si2B C42B 1.862(16) . ?
C35B H35C 0.9900 . ?
C35B H35D 0.9900 . ?
C35B C36B 1.47(2) . ?
C36B H36C 0.9900 . ?
C36B H36D 0.9900 . ?
C36B C37B 1.45(2) . ?
C37B H37C 0.9900 . ?
C37B H37D 0.9900 . ?
C37B C38B 1.422(18) . ?
C38B N6B 1.282(17) . ?
C39B H39B 1.0000 . ?
C39B C40B 1.549(17) . ?
C39B C41B 1.550(18) . ?
C40B H40D 0.9800 . ?
C40B H40E 0.9800 . ?
C40B H40F 0.9800 . ?
C41B H41D 0.9800 . ?
C41B H41E 0.9800 . ?
C41B H41F 0.9800 . ?
C42B H42B 1.0000 . ?
C42B C43B 1.48(2) . ?
C42B C44B 1.414(19) . ?
C43B H43D 0.9800 . ?
C43B H43E 0.9800 . ?
C43B H43F 0.9800 . ?
C44B H44D 0.9800 . ?
C44B H44E 0.9800 . ?
C44B H44F 0.9800 . ?
N111 C111 1.352(12) . ?
N111 C115 1.331(13) . ?
C111 H111 0.9500 . ?
C111 C112 1.364(12) . ?
C112 H112 0.9500 . ?
C112 C113 1.340(17) . ?
C113 H113 0.9500 . ?
C113 C114 1.375(17) . ?
C114 H114 0.9500 . ?
C114 C115 1.398(14) . ?
C115 H115 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Zn1 N2 89.56(12) . . ?
N1 Zn1 N3 162.38(12) . . ?
N1 Zn1 N4 88.30(12) . . ?
N1 Zn1 N101 103.5(7) . . ?
N1 Zn1 N111 96.6(5) . . ?
N2 Zn1 N3 87.69(12) . . ?
N2 Zn1 N101 100.8(6) . . ?
N2 Zn1 N111 98.4(5) . . ?
N3 Zn1 N101 94.1(7) . . ?
N3 Zn1 N111 101.0(5) . . ?
N4 Zn1 N2 163.00(13) . . ?
N4 Zn1 N3 89.26(12) . . ?
N4 Zn1 N101 96.1(6) . . ?
N4 Zn1 N111 98.6(5) . . ?
C1 N1 Zn1 127.4(2) . . ?
C4 N1 Zn1 126.2(2) . . ?
C4 N1 C1 106.3(3) . . ?
C6 N2 Zn1 125.9(2) . . ?
C6 N2 C9 106.9(3) . . ?
C9 N2 Zn1 127.0(3) . . ?
C11 N3 Zn1 127.0(2) . . ?
C14 N3 Zn1 125.3(2) . . ?
C14 N3 C11 106.5(3) . . ?
C16 N4 Zn1 126.4(2) . . ?
C16 N4 C19 106.3(3) . . ?
C19 N4 Zn1 126.9(2) . . ?
N1 C1 C2 109.9(3) . . ?
N1 C1 C20 125.7(3) . . ?
C20 C1 C2 124.3(3) . . ?
C1 C2 H2 126.4 . . ?
C3 C2 C1 107.2(3) . . ?
C3 C2 H2 126.4 . . ?
C2 C3 H3 126.7 . . ?
C2 C3 C4 106.7(3) . . ?
C4 C3 H3 126.7 . . ?
N1 C4 C3 109.9(3) . . ?
N1 C4 C5 126.0(3) . . ?
C5 C4 C3 124.0(3) . . ?
C4 C5 C6 125.4(3) . . ?
C4 C5 C21 117.8(3) . . ?
C6 C5 C21 116.8(3) . . ?
N2 C6 C5 126.1(3) . . ?
N2 C6 C7 109.9(3) . . ?
C5 C6 C7 124.1(4) . . ?
C6 C7 H7 126.7 . . ?
C8 C7 C6 106.7(3) . . ?
C8 C7 H7 126.7 . . ?
C7 C8 H8 126.3 . . ?
C7 C8 C9 107.3(3) . . ?
C9 C8 H8 126.3 . . ?
N2 C9 C8 109.2(3) . . ?
N2 C9 C10 125.8(3) . . ?
C10 C9 C8 125.0(3) . . ?
C9 C10 C45 116.6(3) . . ?
C11 C10 C9 125.1(3) . . ?
C11 C10 C45 118.3(3) . . ?
N3 C11 C10 125.1(3) . . ?
N3 C11 C12 109.3(3) . . ?
C10 C11 C12 125.6(3) . . ?
C11 C12 H12 126.2 . . ?
C13 C12 C11 107.7(3) . . ?
C13 C12 H12 126.2 . . ?
C12 C13 H13 126.8 . . ?
C12 C13 C14 106.3(3) . . ?
C14 C13 H13 126.8 . . ?
N3 C14 C13 110.2(3) . . ?
N3 C14 C15 125.8(3) . . ?
C15 C14 C13 124.0(4) . . ?
C14 C15 C16 126.1(4) . . ?
C14 C15 C33 117.8(3) . . ?
C16 C15 C33 116.0(4) . . ?
N4 C16 C15 125.0(3) . . ?
N4 C16 C17 110.2(3) . . ?
C15 C16 C17 124.8(4) . . ?
C16 C17 H17 126.7 . . ?
C18 C17 C16 106.6(4) . . ?
C18 C17 H17 126.7 . . ?
C17 C18 H18 126.3 . . ?
C17 C18 C19 107.4(3) . . ?
C19 C18 H18 126.3 . . ?
N4 C19 C18 109.6(3) . . ?
N4 C19 C20 125.6(3) . . ?
C20 C19 C18 124.8(3) . . ?
C1 C20 C19 124.7(3) . . ?
C1 C20 C59 118.1(3) . . ?
C19 C20 C59 117.2(3) . . ?
C22 C21 C5 177.9(5) . . ?
C21 C22 Si1 173.8(4) . . ?
C22 Si1 C23 107.60(19) . . ?
C22 Si1 C30 109.13(18) . . ?
C22 Si1 C27 106.2(2) . . ?
C30 Si1 C23 108.7(2) . . ?
C30 Si1 C27 115.5(2) . . ?
C27 Si1 C23 109.4(2) . . ?
Si1 C23 H23A 108.8 . . ?
Si1 C23 H23B 108.8 . . ?
H23A C23 H23B 107.7 . . ?
C24 C23 Si1 113.8(3) . . ?
C24 C23 H23A 108.8 . . ?
C24 C23 H23B 108.8 . . ?
C23 C24 H24A 108.8 . . ?
C23 C24 H24B 108.8 . . ?
C23 C24 C25 113.8(4) . . ?
H24A C24 H24B 107.7 . . ?
C25 C24 H24A 108.8 . . ?
C25 C24 H24B 108.8 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 108.0 . . ?
C26 C25 C24 110.9(4) . . ?
C26 C25 H25A 109.5 . . ?
C26 C25 H25B 109.5 . . ?
N5 C26 C25 177.1(5) . . ?
Si1 C30 H30 105.9 . . ?
C31 C30 Si1 113.4(3) . . ?
C31 C30 H30 105.9 . . ?
C32 C30 Si1 114.3(3) . . ?
C32 C30 H30 105.9 . . ?
C32 C30 C31 110.5(4) . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
Si1 C27 H27 106.2 . . ?
C28 C27 Si1 114.8(3) . . ?
C28 C27 H27 106.2 . . ?
C28 C27 C29 110.1(4) . . ?
C29 C27 Si1 112.5(3) . . ?
C29 C27 H27 106.2 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C34 C33 C15 178.1(5) . . ?
C33 C34 Si2 170.7(5) . . ?
C33 C34 Si2B 171.8(5) . . ?
C34 Si2 C35 106.6(5) . . ?
C34 Si2 C39 108.1(4) . . ?
C34 Si2 C42 109.8(4) . . ?
C35 Si2 C39 110.3(6) . . ?
C35 Si2 C42 112.7(5) . . ?
C39 Si2 C42 109.1(5) . . ?
Si2 C35 H35A 108.9 . . ?
Si2 C35 H35B 108.9 . . ?
H35A C35 H35B 107.7 . . ?
C36 C35 Si2 113.3(9) . . ?
C36 C35 H35A 108.9 . . ?
C36 C35 H35B 108.9 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 108.1 . . ?
C37 C36 C35 110.6(11) . . ?
C37 C36 H36A 109.5 . . ?
C37 C36 H36B 109.5 . . ?
C36 C37 H37A 109.4 . . ?
C36 C37 H37B 109.4 . . ?
H37A C37 H37B 108.0 . . ?
C38 C37 C36 111.0(11) . . ?
C38 C37 H37A 109.4 . . ?
C38 C37 H37B 109.4 . . ?
N6 C38 C37 173.8(11) . . ?
Si2 C39 H39 106.3 . . ?
C40 C39 Si2 110.3(6) . . ?
C40 C39 H39 106.3 . . ?
C41 C39 Si2 113.3(6) . . ?
C41 C39 H39 106.3 . . ?
C41 C39 C40 113.8(7) . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C39 C41 H41A 109.5 . . ?
C39 C41 H41B 109.5 . . ?
C39 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
Si2 C42 H42 105.1 . . ?
C43 C42 Si2 114.0(7) . . ?
C43 C42 H42 105.1 . . ?
C44 C42 Si2 115.1(7) . . ?
C44 C42 H42 105.1 . . ?
C44 C42 C43 111.1(9) . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
C42 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C42 C44 H44A 109.5 . . ?
C42 C44 H44B 109.5 . . ?
C42 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C46 C45 C10 119.7(3) . . ?
C46 C45 C50 118.6(3) . . ?
C50 C45 C10 121.8(4) . . ?
C45 C46 H46 119.3 . . ?
C45 C46 C47 121.5(4) . . ?
C47 C46 H46 119.3 . . ?
C46 C47 C48 117.6(4) . . ?
C46 C47 C51 119.5(3) . . ?
C48 C47 C51 122.9(3) . . ?
C47 C48 H48 118.6 . . ?
C49 C48 C47 122.8(4) . . ?
C49 C48 H48 118.6 . . ?
C48 C49 C50 117.8(4) . . ?
C48 C49 C55 120.3(4) . . ?
C50 C49 C55 121.7(4) . . ?
C45 C50 H50 119.2 . . ?
C49 C50 C45 121.7(4) . . ?
C49 C50 H50 119.2 . . ?
C47 C51 C53 108.3(4) . . ?
C52 C51 C47 109.9(4) . . ?
C52 C51 C53 109.7(4) . . ?
C54 C51 C47 112.3(4) . . ?
C54 C51 C52 107.9(4) . . ?
C54 C51 C53 108.7(4) . . ?
C51 C52 H52A 109.5 . . ?
C51 C52 H52B 109.5 . . ?
C51 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C51 C53 H53A 109.5 . . ?
C51 C53 H53B 109.5 . . ?
C51 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C51 C54 H54A 109.5 . . ?
C51 C54 H54B 109.5 . . ?
C51 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C56 C55 C49 108.1(4) . . ?
C56 C55 C57 109.7(5) . . ?
C56 C55 C58 109.7(4) . . ?
C57 C55 C49 110.3(4) . . ?
C58 C55 C49 112.1(3) . . ?
C58 C55 C57 107.0(4) . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C55 C57 H57A 109.5 . . ?
C55 C57 H57B 109.5 . . ?
C55 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C55 C58 H58A 109.5 . . ?
C55 C58 H58B 109.5 . . ?
C55 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C60 C59 C20 119.8(3) . . ?
C64 C59 C20 121.2(3) . . ?
C64 C59 C60 119.0(3) . . ?
C59 C60 H60 119.3 . . ?
C59 C60 C61 121.4(3) . . ?
C61 C60 H60 119.3 . . ?
C60 C61 C65 119.4(3) . . ?
C62 C61 C60 117.7(3) . . ?
C62 C61 C65 122.9(3) . . ?
C61 C62 H62 118.7 . . ?
C63 C62 C61 122.5(3) . . ?
C63 C62 H62 118.7 . . ?
C62 C63 C64 118.1(3) . . ?
C62 C63 C69 121.9(3) . . ?
C64 C63 C69 119.9(3) . . ?
C59 C64 C63 121.3(4) . . ?
C59 C64 H64 119.4 . . ?
C63 C64 H64 119.4 . . ?
C66 C65 C61 109.7(3) . . ?
C67 C65 C61 111.8(3) . . ?
C67 C65 C66 108.1(3) . . ?
C67 C65 C68 107.9(3) . . ?
C68 C65 C61 108.7(3) . . ?
C68 C65 C66 110.6(3) . . ?
C65 C66 H66A 109.5 . . ?
C65 C66 H66B 109.5 . . ?
C65 C66 H66C 109.5 . . ?
H66A C66 H66B 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C65 C67 H67A 109.5 . . ?
C65 C67 H67B 109.5 . . ?
C65 C67 H67C 109.5 . . ?
H67A C67 H67B 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C65 C68 H68A 109.5 . . ?
C65 C68 H68B 109.5 . . ?
C65 C68 H68C 109.5 . . ?
H68A C68 H68B 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C70 C69 C63 111.6(3) . . ?
C71 C69 C63 107.3(3) . . ?
C71 C69 C70 108.7(4) . . ?
C72 C69 C63 111.0(3) . . ?
C72 C69 C70 108.1(4) . . ?
C72 C69 C71 110.1(4) . . ?
C69 C70 H70A 109.5 . . ?
C69 C70 H70B 109.5 . . ?
C69 C70 H70C 109.5 . . ?
H70A C70 H70B 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
C69 C71 H71A 109.5 . . ?
C69 C71 H71B 109.5 . . ?
C69 C71 H71C 109.5 . . ?
H71A C71 H71B 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C69 C72 H72A 109.5 . . ?
C69 C72 H72B 109.5 . . ?
C69 C72 H72C 109.5 . . ?
H72A C72 H72B 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C101 N101 Zn1 125.0(12) . . ?
C101 N101 C105 110.3(15) . . ?
C105 N101 Zn1 117.3(13) . . ?
N101 C101 H101 118.2 . . ?
N101 C101 C102 123.7(17) . . ?
C102 C101 H101 118.2 . . ?
C101 C102 H102 120.3 . . ?
C103 C102 C101 119.5(15) . . ?
C103 C102 H102 120.3 . . ?
C102 C103 H103 121.5 . . ?
C102 C103 C104 117.0(12) . . ?
C104 C103 H103 121.5 . . ?
C103 C104 H104 120.2 . . ?
C103 C104 C105 119.6(12) . . ?
C105 C104 H104 120.2 . . ?
N101 C105 C104 122.2(15) . . ?
N101 C105 H105 118.9 . . ?
C104 C105 H105 118.9 . . ?
Cl22 C201 H20A 111.4 . . ?
Cl22 C201 H20B 111.4 . . ?
H20A C201 H20B 109.3 . . ?
Cl21 C201 Cl22 101.6(13) . . ?
Cl21 C201 H20A 111.4 . . ?
Cl21 C201 H20B 111.4 . . ?
C34 Si2B C35B 105.1(12) . . ?
C34 Si2B C39B 101.6(7) . . ?
C34 Si2B C42B 116.0(9) . . ?
C35B Si2B C39B 112.0(12) . . ?
C35B Si2B C42B 111.8(11) . . ?
C42B Si2B C39B 110.0(12) . . ?
Si2B C35B H35C 108.4 . . ?
Si2B C35B H35D 108.4 . . ?
H35C C35B H35D 107.5 . . ?
C36B C35B Si2B 115.3(17) . . ?
C36B C35B H35C 108.4 . . ?
C36B C35B H35D 108.4 . . ?
C35B C36B H36C 109.5 . . ?
C35B C36B H36D 109.5 . . ?
H36C C36B H36D 108.1 . . ?
C37B C36B C35B 110.7(17) . . ?
C37B C36B H36C 109.5 . . ?
C37B C36B H36D 109.5 . . ?
C36B C37B H37C 109.5 . . ?
C36B C37B H37D 109.5 . . ?
H37C C37B H37D 108.1 . . ?
C38B C37B C36B 110.7(16) . . ?
C38B C37B H37C 109.5 . . ?
C38B C37B H37D 109.5 . . ?
N6B C38B C37B 177(2) . . ?
Si2B C39B H39B 104.1 . . ?
C40B C39B Si2B 119.0(13) . . ?
C40B C39B H39B 104.1 . . ?
C40B C39B C41B 104.7(14) . . ?
C41B C39B Si2B 118.8(11) . . ?
C41B C39B H39B 104.1 . . ?
C39B C40B H40D 109.5 . . ?
C39B C40B H40E 109.5 . . ?
C39B C40B H40F 109.5 . . ?
H40D C40B H40E 109.5 . . ?
H40D C40B H40F 109.5 . . ?
H40E C40B H40F 109.5 . . ?
C39B C41B H41D 109.5 . . ?
C39B C41B H41E 109.5 . . ?
C39B C41B H41F 109.5 . . ?
H41D C41B H41E 109.5 . . ?
H41D C41B H41F 109.5 . . ?
H41E C41B H41F 109.5 . . ?
Si2B C42B H42B 93.4 . . ?
C43B C42B Si2B 112.6(13) . . ?
C43B C42B H42B 93.4 . . ?
C44B C42B Si2B 125.2(15) . . ?
C44B C42B H42B 93.4 . . ?
C44B C42B C43B 121.2(16) . . ?
C42B C43B H43D 109.5 . . ?
C42B C43B H43E 109.5 . . ?
C42B C43B H43F 109.5 . . ?
H43D C43B H43E 109.5 . . ?
H43D C43B H43F 109.5 . . ?
H43E C43B H43F 109.5 . . ?
C42B C44B H44D 109.5 . . ?
C42B C44B H44E 109.5 . . ?
C42B C44B H44F 109.5 . . ?
H44D C44B H44E 109.5 . . ?
H44D C44B H44F 109.5 . . ?
H44E C44B H44F 109.5 . . ?
C111 N111 Zn1 117.9(10) . . ?
C115 N111 Zn1 123.5(9) . . ?
C115 N111 C111 114.1(12) . . ?
N111 C111 H111 118.0 . . ?
N111 C111 C112 124.0(12) . . ?
C112 C111 H111 118.0 . . ?
C111 C112 H112 119.7 . . ?
C113 C112 C111 120.6(13) . . ?
C113 C112 H112 119.7 . . ?
C112 C113 H113 122.2 . . ?
C112 C113 C114 115.6(13) . . ?
C114 C113 H113 122.2 . . ?
C113 C114 H114 119.3 . . ?
C113 C114 C115 121.4(14) . . ?
C115 C114 H114 119.3 . . ?
N111 C115 C114 120.9(15) . . ?
N111 C115 H115 119.6 . . ?
C114 C115 H115 119.6 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Zn1 N1 C1 C2 178.1(2) . . . . ?
Zn1 N1 C1 C20 -5.4(6) . . . . ?
Zn1 N1 C4 C3 -178.1(2) . . . . ?
Zn1 N1 C4 C5 4.4(6) . . . . ?
Zn1 N2 C6 C5 -5.6(6) . . . . ?
Zn1 N2 C6 C7 175.7(3) . . . . ?
Zn1 N2 C9 C8 -175.9(3) . . . . ?
Zn1 N2 C9 C10 6.8(6) . . . . ?
Zn1 N3 C11 C10 -12.3(6) . . . . ?
Zn1 N3 C11 C12 167.1(3) . . . . ?
Zn1 N3 C14 C13 -167.8(3) . . . . ?
Zn1 N3 C14 C15 12.2(6) . . . . ?
Zn1 N4 C16 C15 -7.5(6) . . . . ?
Zn1 N4 C16 C17 172.8(3) . . . . ?
Zn1 N4 C19 C18 -172.3(3) . . . . ?
Zn1 N4 C19 C20 9.2(6) . . . . ?
Zn1 N101 C101 C102 -180(2) . . . . ?
Zn1 N101 C105 C104 -177.8(13) . . . . ?
Zn1 N111 C111 C112 175.6(12) . . . . ?
Zn1 N111 C115 C114 -175.7(17) . . . . ?
N1 C1 C2 C3 0.1(4) . . . . ?
N1 C1 C20 C19 -2.8(6) . . . . ?
N1 C1 C20 C59 178.9(4) . . . . ?
N1 C4 C5 C6 2.9(7) . . . . ?
N1 C4 C5 C21 -178.2(4) . . . . ?
N2 C6 C7 C8 0.3(5) . . . . ?
N2 C9 C10 C11 4.2(7) . . . . ?
N2 C9 C10 C45 -177.4(4) . . . . ?
N3 C11 C12 C13 0.9(5) . . . . ?
N3 C14 C15 C16 -1.1(7) . . . . ?
N3 C14 C15 C33 176.6(4) . . . . ?
N4 C16 C17 C18 0.0(5) . . . . ?
N4 C19 C20 C1 0.8(7) . . . . ?
N4 C19 C20 C59 179.1(4) . . . . ?
C1 N1 C4 C3 0.4(4) . . . . ?
C1 N1 C4 C5 -177.2(4) . . . . ?
C1 C2 C3 C4 0.2(4) . . . . ?
C1 C20 C59 C60 113.9(4) . . . . ?
C1 C20 C59 C64 -66.2(5) . . . . ?
C2 C1 C20 C19 173.1(4) . . . . ?
C2 C1 C20 C59 -5.2(6) . . . . ?
C2 C3 C4 N1 -0.3(5) . . . . ?
C2 C3 C4 C5 177.3(4) . . . . ?
C3 C4 C5 C6 -174.3(4) . . . . ?
C3 C4 C5 C21 4.6(6) . . . . ?
C4 N1 C1 C2 -0.3(4) . . . . ?
C4 N1 C1 C20 176.2(4) . . . . ?
C4 C5 C6 N2 -2.2(7) . . . . ?
C4 C5 C6 C7 176.3(4) . . . . ?
C5 C6 C7 C8 -178.5(4) . . . . ?
C6 N2 C9 C8 -0.2(4) . . . . ?
C6 N2 C9 C10 -177.5(4) . . . . ?
C6 C7 C8 C9 -0.4(5) . . . . ?
C7 C8 C9 N2 0.4(5) . . . . ?
C7 C8 C9 C10 177.7(4) . . . . ?
C8 C9 C10 C11 -172.7(4) . . . . ?
C8 C9 C10 C45 5.7(6) . . . . ?
C9 N2 C6 C5 178.7(4) . . . . ?
C9 N2 C6 C7 0.0(4) . . . . ?
C9 C10 C11 N3 -1.3(7) . . . . ?
C9 C10 C11 C12 179.5(4) . . . . ?
C9 C10 C45 C46 60.0(5) . . . . ?
C9 C10 C45 C50 -118.9(4) . . . . ?
C10 C11 C12 C13 -179.8(4) . . . . ?
C10 C45 C46 C47 -178.5(4) . . . . ?
C10 C45 C50 C49 179.0(4) . . . . ?
C11 N3 C14 C13 0.2(4) . . . . ?
C11 N3 C14 C15 -179.8(4) . . . . ?
C11 C10 C45 C46 -121.4(4) . . . . ?
C11 C10 C45 C50 59.6(5) . . . . ?
C11 C12 C13 C14 -0.7(5) . . . . ?
C12 C13 C14 N3 0.3(5) . . . . ?
C12 C13 C14 C15 -179.6(4) . . . . ?
C13 C14 C15 C16 178.9(4) . . . . ?
C13 C14 C15 C33 -3.5(6) . . . . ?
C14 N3 C11 C10 180.0(4) . . . . ?
C14 N3 C11 C12 -0.7(4) . . . . ?
C14 C15 C16 N4 -1.5(7) . . . . ?
C14 C15 C16 C17 178.0(4) . . . . ?
C15 C16 C17 C18 -179.6(4) . . . . ?
C16 N4 C19 C18 1.4(5) . . . . ?
C16 N4 C19 C20 -177.1(4) . . . . ?
C16 C17 C18 C19 0.8(5) . . . . ?
C17 C18 C19 N4 -1.4(5) . . . . ?
C17 C18 C19 C20 177.1(4) . . . . ?
C18 C19 C20 C1 -177.5(4) . . . . ?
C18 C19 C20 C59 0.9(6) . . . . ?
C19 N4 C16 C15 178.7(4) . . . . ?
C19 N4 C16 C17 -0.9(5) . . . . ?
C19 C20 C59 C60 -64.6(5) . . . . ?
C19 C20 C59 C64 115.4(4) . . . . ?
C20 C1 C2 C3 -176.4(4) . . . . ?
C20 C59 C60 C61 178.5(3) . . . . ?
C20 C59 C64 C63 180.0(4) . . . . ?
C21 C5 C6 N2 178.8(4) . . . . ?
C21 C5 C6 C7 -2.6(6) . . . . ?
C22 Si1 C23 C24 26.5(4) . . . . ?
C22 Si1 C30 C31 166.4(3) . . . . ?
C22 Si1 C30 C32 -65.7(3) . . . . ?
C22 Si1 C27 C28 44.0(4) . . . . ?
C22 Si1 C27 C29 171.0(3) . . . . ?
Si1 C23 C24 C25 168.6(3) . . . . ?
C23 Si1 C30 C31 49.3(4) . . . . ?
C23 Si1 C30 C32 177.2(3) . . . . ?
C23 Si1 C27 C28 159.9(4) . . . . ?
C23 Si1 C27 C29 -73.1(4) . . . . ?
C23 C24 C25 C26 -68.3(5) . . . . ?
C30 Si1 C23 C24 144.6(3) . . . . ?
C30 Si1 C27 C28 -77.1(4) . . . . ?
C30 Si1 C27 C29 49.9(4) . . . . ?
C27 Si1 C23 C24 -88.5(4) . . . . ?
C27 Si1 C30 C31 -74.1(4) . . . . ?
C27 Si1 C30 C32 53.9(4) . . . . ?
C33 C15 C16 N4 -179.3(4) . . . . ?
C33 C15 C16 C17 0.3(6) . . . . ?
C34 Si2 C35 C36 64.7(11) . . . . ?
C34 Si2 C39 C40 -174.4(5) . . . . ?
C34 Si2 C39 C41 56.7(7) . . . . ?
C34 Si2B C35B C36B 56(3) . . . . ?
C34 Si2B C42B C43B -45(3) . . . . ?
C34 Si2B C42B C44B 147(3) . . . . ?
Si2 C35 C36 C37 -172.3(10) . . . . ?
C35 Si2 C39 C40 -58.1(8) . . . . ?
C35 Si2 C39 C41 172.9(7) . . . . ?
C35 C36 C37 C38 67.5(17) . . . . ?
C39 Si2 C35 C36 -52.5(12) . . . . ?
C42 Si2 C35 C36 -174.8(10) . . . . ?
C42 Si2 C39 C40 66.2(7) . . . . ?
C42 Si2 C39 C41 -62.7(8) . . . . ?
C45 C10 C11 N3 -179.6(4) . . . . ?
C45 C10 C11 C12 1.1(6) . . . . ?
C45 C46 C47 C48 -0.1(6) . . . . ?
C45 C46 C47 C51 178.2(4) . . . . ?
C46 C45 C50 C49 0.0(6) . . . . ?
C46 C47 C48 C49 -0.9(6) . . . . ?
C46 C47 C51 C52 53.3(5) . . . . ?
C46 C47 C51 C53 -66.5(5) . . . . ?
C46 C47 C51 C54 173.5(4) . . . . ?
C47 C48 C49 C50 1.4(6) . . . . ?
C47 C48 C49 C55 177.7(4) . . . . ?
C48 C47 C51 C52 -128.5(4) . . . . ?
C48 C47 C51 C53 111.8(5) . . . . ?
C48 C47 C51 C54 -8.3(6) . . . . ?
C48 C49 C50 C45 -1.0(6) . . . . ?
C48 C49 C55 C56 -77.8(5) . . . . ?
C48 C49 C55 C57 42.1(6) . . . . ?
C48 C49 C55 C58 161.3(4) . . . . ?
C50 C45 C46 C47 0.6(6) . . . . ?
C50 C49 C55 C56 98.4(5) . . . . ?
C50 C49 C55 C57 -141.7(5) . . . . ?
C50 C49 C55 C58 -22.6(6) . . . . ?
C51 C47 C48 C49 -179.1(4) . . . . ?
C55 C49 C50 C45 -177.2(4) . . . . ?
C59 C60 C61 C62 1.5(5) . . . . ?
C59 C60 C61 C65 180.0(3) . . . . ?
C60 C59 C64 C63 -0.1(6) . . . . ?
C60 C61 C62 C63 0.0(6) . . . . ?
C60 C61 C65 C66 57.7(5) . . . . ?
C60 C61 C65 C67 177.6(3) . . . . ?
C60 C61 C65 C68 -63.4(4) . . . . ?
C61 C62 C63 C64 -1.5(6) . . . . ?
C61 C62 C63 C69 -177.9(4) . . . . ?
C62 C61 C65 C66 -123.9(4) . . . . ?
C62 C61 C65 C67 -4.0(5) . . . . ?
C62 C61 C65 C68 115.0(4) . . . . ?
C62 C63 C64 C59 1.5(6) . . . . ?
C62 C63 C69 C70 -17.2(6) . . . . ?
C62 C63 C69 C71 101.9(4) . . . . ?
C62 C63 C69 C72 -137.8(4) . . . . ?
C64 C59 C60 C61 -1.5(6) . . . . ?
C64 C63 C69 C70 166.4(4) . . . . ?
C64 C63 C69 C71 -74.5(5) . . . . ?
C64 C63 C69 C72 45.8(5) . . . . ?
C65 C61 C62 C63 -178.4(4) . . . . ?
C69 C63 C64 C59 178.0(4) . . . . ?
N101 C101 C102 C103 17(5) . . . . ?
C101 N101 C105 C104 31(4) . . . . ?
C101 C102 C103 C104 1(4) . . . . ?
C102 C103 C104 C105 0(3) . . . . ?
C103 C104 C105 N101 -17(3) . . . . ?
C105 N101 C101 C102 -31(5) . . . . ?
Si2B C35B C36B C37B -179(2) . . . . ?
C35B Si2B C42B C43B -165(2) . . . . ?
C35B Si2B C42B C44B 27(4) . . . . ?
C35B C36B C37B C38B -60(3) . . . . ?
C39B Si2B C35B C36B -53(3) . . . . ?
C39B Si2B C42B C43B 70(2) . . . . ?
C39B Si2B C42B C44B -98(3) . . . . ?
C42B Si2B C35B C36B -177(2) . . . . ?
N111 C111 C112 C113 -4(3) . . . . ?
C111 N111 C115 C114 -20(4) . . . . ?
C111 C112 C113 C114 -8(3) . . . . ?
C112 C113 C114 C115 6(3) . . . . ?
C113 C114 C115 N111 9(4) . . . . ?
C115 N111 C111 C112 19(3) . . . . ?

_olex2_diffrn_ambient_temperature_device 'Oxford Cryosystems'
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.501
_oxdiff_exptl_absorpt_empirical_full_min 0.584
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_P2Tb2
_database_code_depnum_ccdc_archive 'CCDC 1565186'
_audit_update_record             
;
2017-07-27 deposited with the CCDC.
2018-10-18 downloaded from the CCDC.
;
_audit_creation_date             2017-06-14
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2017.06.07 svn.r3419 for OlexSys, GUI svn.r5353)
;
#2016ncs0713
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C156 H212 Co2 N8 O18 P6 Si2 Tb2'
_chemical_formula_sum            'C156 H212 Co2 N8 O18 P6 Si2 Tb2'
_chemical_formula_weight         3165.02
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C156 H212 Co2 N8 O18 P6 Si2 Tb2'
_chemical_oxdiff_usercomment     Tb-Por-dimer
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.30820(10)
_cell_length_b                   14.6723(2)
_cell_length_c                   27.9524(5)
_cell_angle_alpha                75.0610(10)
_cell_angle_beta                 86.2080(10)
_cell_angle_gamma                71.1390(10)
_cell_volume                     3864.76(10)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    38803
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.2210
_cell_measurement_theta_min      2.2050
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.257
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.71617
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.9g (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.360
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1650
_exptl_crystal_recrystallization_method 
'The material was recrystallised from a mixture of ethanol and DCM by ---'
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0515
_diffrn_reflns_av_unetI/netI     0.0393
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            85977
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.486
_diffrn_reflns_theta_min         2.207
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_detector_type            'Rigaku HG Saturn724+ (2x2 bin mode)'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -109.00  21.00   1.00   35.00    --  -19.60 -72.00-120.00  130
  2  ω   -109.00  21.00   1.00   35.00    --  -19.60 -72.00   0.00  130
  3  ω   -109.00  21.00   1.00   35.00    --  -19.60 -72.00  90.00  130
  4  ω    -58.00  70.00   1.00   35.00    --  -19.60  57.00   0.00  128
  5  ω    -58.00  70.00   1.00   35.00    --  -19.60  57.00 -90.00  128
  6  ω   -109.00  19.00   1.00   35.00    --  -19.60 -57.00 150.00  128
  7  ω    -60.00  70.00   1.00   35.00    --  -19.60  72.00-120.00  130
  8  ω    -60.00   1.00   1.00   35.00    --  -19.60  72.00 150.00   61
  9  ω    -58.00  70.00   1.00   35.00    --  -19.60  57.00 120.00  128
;
_diffrn_measurement_device       'four-circle κ goniometer'
_diffrn_measurement_device_type  
'Rigaku FRE+ equipped with HF Varimax confocal mirrors and an AFC12 goniometer and HG Saturn 724+ detector'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support 'MiTeGen MicroLoop'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0013722000
_diffrn_orient_matrix_UB_12      0.0501913000
_diffrn_orient_matrix_UB_13      -0.0047937000
_diffrn_orient_matrix_UB_21      -0.0050128000
_diffrn_orient_matrix_UB_22      -0.0027773000
_diffrn_orient_matrix_UB_23      0.0257346000
_diffrn_orient_matrix_UB_31      0.0725401000
_diffrn_orient_matrix_UB_32      -0.0160456000
_diffrn_orient_matrix_UB_33      0.0021833000
_diffrn_radiation_collimation    0.2
_diffrn_radiation_monochromator  'Confocal mirrors, HF Varimax'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_xray_symbol    K-L~3~
_diffrn_source                   'Rotating Anode'
_diffrn_source_current           55.0
_diffrn_source_power             2.475
_diffrn_source_target            Mo
_diffrn_source_type              'Rigaku FRE+'
_diffrn_source_voltage           45.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                16997
_reflns_number_total             17755
_reflns_odcompleteness_completeness 99.94
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.42
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.9g (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.9g (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.9g (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.043
_refine_diff_density_min         -2.319
_refine_diff_density_rms         0.121
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.278
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1197
_refine_ls_number_reflns         17755
_refine_ls_number_restraints     2917
_refine_ls_R_factor_all          0.0659
_refine_ls_R_factor_gt           0.0625
_refine_ls_restrained_S_all      1.235
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0216P)²+18.4376P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1302
_refine_ls_wR_factor_ref         0.1316
_refine_special_details          
'There is disorder of the metal centres, phosphine ligands, the cp rings and a t-butyl side arm. As such various geometrical (SADI, SAME) and displacement (RIGU, SIMU) restraints, along with some displacement constraints (EADP) have been used.'
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C52-C58 \\sim C52-C58B
 with sigma of 0.02
 P101-O105 \\sim P201-O204 \\sim P101-O104 \\sim P203-O209 \\sim P203-O208
\\sim P103-O109 \\sim P103-
 O108 \\sim P202-O207 \\sim P202-O206 \\sim P102-O107 \\sim P102-O106 \\sim
P201-O205
 with sigma of 0.02
 O205-C203 \\sim O106-C105 \\sim O107-C107 \\sim O206-C205 \\sim O207-C207
\\sim O108-C109 \\sim O109-
 C111 \\sim O208-C209 \\sim O209-C211 \\sim O104-C101 \\sim O105-C103 \\sim
O204-C201
 with sigma of 0.02
 O205-C204 \\sim O106-C106 \\sim O107-C108 \\sim O206-C206 \\sim O207-C208
\\sim O108-C110 \\sim O109-
 C112 \\sim O208-C210 \\sim O209-C212 \\sim O104-C102 \\sim O105-C104 \\sim
O204-C202
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.04 and sigma
for terminal atoms of 0.08
Uanis(P201) = Uanis(O205)
Uanis(C50) = Uanis(C51)
4. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Same fragment restrains
{C58, C59, C60, C61} sigma for 1-2: 0.02, 1-3: 0.04
as
{C58B, C59B, C60B, C61B}
{P101, P102, P103, O101, O102, O103, O104, O105, O106, O107, O108, O109, C101,
C102, C103, C104, C105, C106, C107, C108, C109, C110, C111, C112} sigma for
1-2: 0.02, 1-3: 0.04
as
{P201, P202, P203, O201, O202, O203, O204, O205, O206, O207, O208, O209, C201,
C202, C203, C204, C205, C206, C207, C208, C209, C210, C211, C212}
6. Others
 Sof(C58B)=Sof(C59B)=Sof(H59D)=Sof(H59E)=Sof(H59F)=Sof(C60B)=Sof(H60D)=
 Sof(H60E)=Sof(H60F)=Sof(C61B)=Sof(H61D)=Sof(H61E)=Sof(H61F)=1-FVAR(1)
 Sof(C58)=Sof(C59)=Sof(H59A)=Sof(H59B)=Sof(H59C)=Sof(C60)=Sof(H60A)=Sof(H60B)=
 Sof(H60C)=Sof(C61)=Sof(H61A)=Sof(H61B)=Sof(H61C)=FVAR(1)
 Sof(P201)=Sof(P202)=Sof(P203)=Sof(O201)=Sof(O202)=Sof(O203)=Sof(O204)=
 Sof(O205)=Sof(O206)=Sof(O207)=Sof(O208)=Sof(O209)=Sof(C201)=Sof(H20A)=
 Sof(H20B)=Sof(C202)=Sof(H20C)=Sof(H20D)=Sof(H20E)=Sof(C203)=Sof(H20F)=
 Sof(H20G)=Sof(C204)=Sof(H20H)=Sof(H20I)=Sof(H20J)=Sof(C205)=Sof(H20K)=
 Sof(H20L)=Sof(C206)=Sof(H20M)=Sof(H20N)=Sof(H20O)=Sof(C207)=Sof(H20P)=
 Sof(H20Q)=Sof(C208)=Sof(H20R)=Sof(H20S)=Sof(H20T)=Sof(C209)=Sof(H20U)=
 Sof(H20V)=Sof(C210)=Sof(H21A)=Sof(H21B)=Sof(H21C)=Sof(C211)=Sof(H21D)=
 Sof(H21E)=Sof(C212)=Sof(H21F)=Sof(H21G)=Sof(H21H)=1-FVAR(2)
 Sof(P101)=Sof(P102)=Sof(P103)=Sof(O101)=Sof(O102)=Sof(O103)=Sof(O104)=
 Sof(O105)=Sof(O106)=Sof(O107)=Sof(O108)=Sof(O109)=Sof(C101)=Sof(H10A)=
 Sof(H10B)=Sof(C102)=Sof(H10C)=Sof(H10D)=Sof(H10E)=Sof(C103)=Sof(H10F)=
 Sof(H10G)=Sof(C104)=Sof(H10H)=Sof(H10I)=Sof(H10J)=Sof(C105)=Sof(H10K)=
 Sof(H10L)=Sof(C106)=Sof(H10M)=Sof(H10N)=Sof(H10O)=Sof(C107)=Sof(H10P)=
 Sof(H10Q)=Sof(C108)=Sof(H10R)=Sof(H10S)=Sof(H10T)=Sof(C109)=Sof(H10U)=
 Sof(H10V)=Sof(C110)=Sof(H11A)=Sof(H11B)=Sof(H11C)=Sof(C111)=Sof(H11D)=
 Sof(H11E)=Sof(C112)=Sof(H11F)=Sof(H11G)=Sof(H11H)=FVAR(2)
 Sof(Co1A)=1-FVAR(3)
 Sof(Co1)=FVAR(3)
 Sof(C221)=Sof(H221)=Sof(C222)=Sof(H222)=Sof(C223)=Sof(H223)=Sof(C224)=
 Sof(H224)=Sof(C225)=Sof(H225)=1-FVAR(4)
 Sof(C121)=Sof(H121)=Sof(C122)=Sof(H122)=Sof(C123)=Sof(H123)=Sof(C124)=
 Sof(H124)=Sof(C125)=Sof(H125)=FVAR(4)
 Sof(Tb2)=1-FVAR(5)
 Sof(Tb1)=FVAR(5)
7.a Ternary CH refined with riding coordinates:
 C25(H25), C28(H28), C31(H31), C222(H222)
7.b Secondary CH2 refined with riding coordinates:
 C101(H10A,H10B), C103(H10F,H10G), C105(H10K,H10L), C107(H10P,H10Q), C109(H10U,
 H10V), C111(H11D,H11E), C201(H20A,H20B), C203(H20F,H20G), C205(H20K,H20L),
 C207(H20P,H20Q), C209(H20U,H20V), C211(H21D,H21E)
7.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C7(H7), C8(H8), C12(H12), C13(H13), C17(H17), C18(H18),
 C35(H35), C37(H37), C39(H39), C49(H49), C51(H51), C53(H53), C121(H121),
 C122(H122), C123(H123), C124(H124), C125(H125), C221(H221), C223(H223),
 C224(H224), C225(H225)
7.d Fitted pentagon refined as free rotating group:
 C121(C122,C123,C124,C125), C221(C222,C223,C224,C225)
7.e Idealised Me refined as rotating group:
 C26(H26A,H26B,H26C), C27(H27A,H27B,H27C), C29(H29A,H29B,H29C), C30(H30A,H30B,
 H30C), C32(H32A,H32B,H32C), C33(H33A,H33B,H33C), C41(H41A,H41B,H41C), C42(H42A,
 H42B,H42C), C43(H43A,H43B,H43C), C45(H45A,H45B,H45C), C46(H46A,H46B,H46C),
 C47(H47A,H47B,H47C), C55(H55A,H55B,H55C), C56(H56A,H56B,H56C), C57(H57A,H57B,
 H57C), C59(H59A,H59B,H59C), C60(H60A,H60B,H60C), C61(H61A,H61B,H61C),
 C102(H10C,H10D,H10E), C104(H10H,H10I,H10J), C106(H10M,H10N,H10O), C108(H10R,
 H10S,H10T), C110(H11A,H11B,H11C), C112(H11F,H11G,H11H), C59B(H59D,H59E,H59F),
 C60B(H60D,H60E,H60F), C61B(H61D,H61E,H61F), C202(H20C,H20D,H20E), C204(H20H,
 H20I,H20J), C206(H20M,H20N,H20O), C208(H20R,H20S,H20T), C210(H21A,H21B,H21C),
 C212(H21F,H21G,H21H)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Tb1 Tb 0.30314(2) 0.65797(2) 0.21735(2) 0.01384(6) Uani 0.9616(11) 1 d . U P .
.
Co1 Co 0.7016(3) 0.6904(2) 0.2087(3) 0.0286(10) Uani 0.60(3) 1 d . U P A 1
Si1 Si 0.28346(18) 0.30659(11) 0.48821(5) 0.0358(4) Uani 1 1 d . U . . .
N1 N 0.1929(4) 0.6503(3) 0.14552(13) 0.0177(7) Uani 1 1 d . U . . .
N2 N 0.2505(4) 0.5037(3) 0.24110(14) 0.0189(7) Uani 1 1 d . U . . .
N3 N 0.1717(4) 0.6647(3) 0.29154(13) 0.0202(7) Uani 1 1 d . U . . .
N4 N 0.1119(4) 0.8110(3) 0.19626(13) 0.0176(7) Uani 1 1 d . U . . .
C1 C 0.1526(4) 0.7288(3) 0.10489(15) 0.0165(8) Uani 1 1 d . U . . .
C2 C 0.1626(4) 0.6938(3) 0.06102(16) 0.0194(8) Uani 1 1 d . U . . .
H2 H 0.1415 0.7337 0.0281 0.023 Uiso 1 1 calc R . . . .
C3 C 0.2078(4) 0.5932(3) 0.07529(16) 0.0182(8) Uani 1 1 d . U . . .
H3 H 0.2257 0.5491 0.0543 0.022 Uiso 1 1 calc R . . . .
C4 C 0.2235(4) 0.5658(3) 0.12856(16) 0.0171(8) Uani 1 1 d . U . . .
C5 C 0.2607(4) 0.4680(3) 0.15849(16) 0.0179(8) Uani 1 1 d . U . . .
C6 C 0.2651(4) 0.4405(3) 0.21079(17) 0.0189(8) Uani 1 1 d . U . . .
C7 C 0.2791(5) 0.3414(3) 0.24098(17) 0.0227(9) Uani 1 1 d . U . . .
H7 H 0.2915 0.2838 0.2294 0.027 Uiso 1 1 calc R . . . .
C8 C 0.2712(5) 0.3461(3) 0.28867(18) 0.0253(10) Uani 1 1 d . U . . .
H8 H 0.2766 0.2926 0.3170 0.030 Uiso 1 1 calc R . . . .
C9 C 0.2531(5) 0.4478(3) 0.28858(17) 0.0213(9) Uani 1 1 d . U . . .
C10 C 0.2335(5) 0.4848(3) 0.33129(17) 0.0250(9) Uani 1 1 d . U . . .
C11 C 0.1899(5) 0.5861(3) 0.33214(17) 0.0255(10) Uani 1 1 d . U . . .
C12 C 0.1461(6) 0.6213(4) 0.37605(19) 0.0356(12) Uani 1 1 d . U . . .
H12 H 0.1492 0.5816 0.4090 0.043 Uiso 1 1 calc R . . . .
C13 C 0.1001(6) 0.7213(4) 0.36141(18) 0.0336(12) Uani 1 1 d . U . . .
H13 H 0.0643 0.7655 0.3821 0.040 Uiso 1 1 calc R . . . .
C14 C 0.1150(5) 0.7489(3) 0.30850(17) 0.0232(9) Uani 1 1 d . U . . .
C15 C 0.0692(5) 0.8468(3) 0.27881(16) 0.0196(8) Uani 1 1 d . U . . .
C16 C 0.0661(4) 0.8750(3) 0.22654(16) 0.0180(8) Uani 1 1 d . U . . .
C17 C 0.0079(4) 0.9750(3) 0.19664(16) 0.0184(8) Uani 1 1 d . U . . .
H17 H -0.0300 1.0333 0.2083 0.022 Uiso 1 1 calc R . . . .
C18 C 0.0175(4) 0.9701(3) 0.14877(16) 0.0196(8) Uani 1 1 d . U . . .
H18 H -0.0124 1.0243 0.1205 0.023 Uiso 1 1 calc R . . . .
C19 C 0.0816(4) 0.8670(3) 0.14900(16) 0.0177(8) Uani 1 1 d . U . . .
C20 C 0.1018(4) 0.8304(3) 0.10604(15) 0.0164(8) Uani 1 1 d . U . . .
C21 C 0.0593(4) 0.9017(3) 0.05999(16) 0.0194(8) Uani 1 1 d . U . . .
C22 C 0.0212(5) 0.9644(3) 0.02154(16) 0.0202(9) Uani 1 1 d . U . . .
C23 C 0.2524(6) 0.4146(3) 0.37911(19) 0.0298(11) Uani 1 1 d . U . . .
C24 C 0.2678(6) 0.3625(4) 0.42072(19) 0.0341(12) Uani 1 1 d . U . . .
C25 C 0.4665(7) 0.2270(5) 0.5033(2) 0.0485(15) Uani 1 1 d . U . . .
H25 H 0.4776 0.2040 0.5402 0.058 Uiso 1 1 calc R . . . .
C26 C 0.5719(8) 0.2797(6) 0.4836(3) 0.067(2) Uani 1 1 d . U . . .
H26A H 0.5546 0.3112 0.4482 0.101 Uiso 1 1 calc GR . . . .
H26B H 0.6643 0.2312 0.4886 0.101 Uiso 1 1 calc GR . . . .
H26C H 0.5647 0.3306 0.5014 0.101 Uiso 1 1 calc GR . . . .
C27 C 0.4961(9) 0.1350(5) 0.4829(3) 0.067(2) Uani 1 1 d . U . . .
H27A H 0.4428 0.0930 0.5010 0.101 Uiso 1 1 calc GR . . . .
H27B H 0.5941 0.0973 0.4870 0.101 Uiso 1 1 calc GR . . . .
H27C H 0.4704 0.1559 0.4477 0.101 Uiso 1 1 calc GR . . . .
C28 C 0.1681(7) 0.2267(4) 0.5038(2) 0.0421(13) Uani 1 1 d . U . . .
H28 H 0.1918 0.1830 0.4803 0.051 Uiso 1 1 calc R . . . .
C29 C 0.1918(8) 0.1558(5) 0.5562(2) 0.0571(18) Uani 1 1 d . U . . .
H29A H 0.2887 0.1155 0.5608 0.086 Uiso 1 1 calc GR . . . .
H29B H 0.1352 0.1121 0.5601 0.086 Uiso 1 1 calc GR . . . .
H29C H 0.1664 0.1948 0.5810 0.086 Uiso 1 1 calc GR . . . .
C30 C 0.0164(7) 0.2867(5) 0.4943(3) 0.0524(16) Uani 1 1 d . U . . .
H30A H -0.0135 0.3297 0.5172 0.079 Uiso 1 1 calc GR . . . .
H30B H -0.0377 0.2411 0.4994 0.079 Uiso 1 1 calc GR . . . .
H30C H 0.0030 0.3277 0.4601 0.079 Uiso 1 1 calc GR . . . .
C31 C 0.2187(7) 0.4185(4) 0.5159(2) 0.0411(13) Uani 1 1 d . U . . .
H31 H 0.1305 0.4610 0.4979 0.049 Uiso 1 1 calc R . . . .
C32 C 0.3127(7) 0.4840(5) 0.5059(2) 0.0487(15) Uani 1 1 d . U . . .
H32A H 0.3956 0.4504 0.5268 0.073 Uiso 1 1 calc GR . . . .
H32B H 0.2642 0.5479 0.5135 0.073 Uiso 1 1 calc GR . . . .
H32C H 0.3382 0.4955 0.4710 0.073 Uiso 1 1 calc GR . . . .
C33 C 0.1825(8) 0.3954(5) 0.5708(2) 0.0537(17) Uani 1 1 d . U . . .
H33A H 0.1116 0.3629 0.5756 0.080 Uiso 1 1 calc GR . . . .
H33B H 0.1483 0.4574 0.5814 0.080 Uiso 1 1 calc GR . . . .
H33C H 0.2645 0.3511 0.5904 0.080 Uiso 1 1 calc GR . . . .
C34 C 0.2940(4) 0.3861(3) 0.13245(16) 0.0184(8) Uani 1 1 d . U . . .
C35 C 0.1933(4) 0.3727(3) 0.10670(16) 0.0199(8) Uani 1 1 d . U . . .
H35 H 0.1008 0.4139 0.1071 0.024 Uiso 1 1 calc R . . . .
C36 C 0.2262(5) 0.3001(3) 0.08048(17) 0.0202(8) Uani 1 1 d . U . . .
C37 C 0.3628(5) 0.2417(3) 0.08017(17) 0.0222(9) Uani 1 1 d . U . . .
H37 H 0.3861 0.1922 0.0621 0.027 Uiso 1 1 calc R . . . .
C38 C 0.4660(4) 0.2530(3) 0.10517(17) 0.0204(9) Uani 1 1 d . U . . .
C39 C 0.4298(5) 0.3262(3) 0.13169(17) 0.0204(9) Uani 1 1 d . U . . .
H39 H 0.4985 0.3352 0.1493 0.024 Uiso 1 1 calc R . . . .
C40 C 0.1170(5) 0.2844(4) 0.05089(19) 0.0259(10) Uani 1 1 d . U . . .
C41 C -0.0244(5) 0.3613(4) 0.0521(2) 0.0312(11) Uani 1 1 d . U . . .
H41A H -0.0539 0.3563 0.0864 0.047 Uiso 1 1 calc GR . . . .
H41B H -0.0906 0.3485 0.0332 0.047 Uiso 1 1 calc GR . . . .
H41C H -0.0192 0.4282 0.0373 0.047 Uiso 1 1 calc GR . . . .
C42 C 0.1585(6) 0.2938(6) -0.0031(2) 0.0492(16) Uani 1 1 d . U . . .
H42A H 0.1685 0.3596 -0.0172 0.074 Uiso 1 1 calc GR . . . .
H42B H 0.0878 0.2856 -0.0218 0.074 Uiso 1 1 calc GR . . . .
H42C H 0.2460 0.2423 -0.0050 0.074 Uiso 1 1 calc GR . . . .
C43 C 0.1052(6) 0.1816(4) 0.0740(3) 0.0471(15) Uani 1 1 d . U . . .
H43A H 0.1934 0.1309 0.0720 0.071 Uiso 1 1 calc GR . . . .
H43B H 0.0346 0.1713 0.0561 0.071 Uiso 1 1 calc GR . . . .
H43C H 0.0798 0.1763 0.1088 0.071 Uiso 1 1 calc GR . . . .
C44 C 0.6163(5) 0.1893(3) 0.1017(2) 0.0269(10) Uani 1 1 d . U . . .
C45 C 0.6567(6) 0.2046(5) 0.0473(2) 0.0531(17) Uani 1 1 d . U . . .
H45A H 0.5982 0.1831 0.0293 0.080 Uiso 1 1 calc GR . . . .
H45B H 0.7528 0.1653 0.0449 0.080 Uiso 1 1 calc GR . . . .
H45C H 0.6449 0.2752 0.0328 0.080 Uiso 1 1 calc GR . . . .
C46 C 0.6312(5) 0.0802(4) 0.1236(2) 0.0370(13) Uani 1 1 d . U . . .
H46A H 0.6085 0.0696 0.1587 0.056 Uiso 1 1 calc GR . . . .
H46B H 0.7259 0.0394 0.1200 0.056 Uiso 1 1 calc GR . . . .
H46C H 0.5688 0.0611 0.1060 0.056 Uiso 1 1 calc GR . . . .
C47 C 0.7150(5) 0.2171(4) 0.1289(3) 0.0428(14) Uani 1 1 d . U . . .
H47A H 0.7032 0.2881 0.1162 0.064 Uiso 1 1 calc GR . . . .
H47B H 0.8094 0.1782 0.1235 0.064 Uiso 1 1 calc GR . . . .
H47C H 0.6962 0.2028 0.1644 0.064 Uiso 1 1 calc GR . . . .
C48 C 0.0117(5) 0.9279(3) 0.30493(16) 0.0214(9) Uani 1 1 d . U . . .
C49 C 0.0961(5) 0.9489(3) 0.33397(17) 0.0255(10) Uani 1 1 d . U . . .
H49 H 0.1910 0.9117 0.3373 0.031 Uiso 1 1 calc R . . . .
C50 C 0.0420(5) 1.0250(4) 0.35852(18) 0.0250(7) Uani 1 1 d . U . . .
C51 C -0.0946(5) 1.0801(4) 0.35192(17) 0.0250(7) Uani 1 1 d . U . . .
H51 H -0.1299 1.1336 0.3673 0.030 Uiso 1 1 calc R . . . .
C52 C -0.1827(5) 1.0601(4) 0.32345(18) 0.0276(10) Uani 1 1 d D U . . .
C53 C -0.1275(5) 0.9823(4) 0.30023(17) 0.0253(9) Uani 1 1 d . U . . .
H53 H -0.1857 0.9664 0.2810 0.030 Uiso 1 1 calc R . . . .
C54 C 0.1348(6) 1.0505(4) 0.3912(2) 0.0343(11) Uani 1 1 d . U . . .
C55 C 0.2838(7) 0.9853(6) 0.3934(3) 0.064(2) Uani 1 1 d . U . . .
H55A H 0.2890 0.9151 0.4046 0.096 Uiso 1 1 calc GR . . . .
H55B H 0.3354 1.0010 0.4166 0.096 Uiso 1 1 calc GR . . . .
H55C H 0.3232 0.9976 0.3604 0.096 Uiso 1 1 calc GR . . . .
C56 C 0.0818(8) 1.0328(5) 0.4443(2) 0.0508(16) Uani 1 1 d . U . . .
H56A H -0.0127 1.0767 0.4448 0.076 Uiso 1 1 calc GR . . . .
H56B H 0.1400 1.0471 0.4659 0.076 Uiso 1 1 calc GR . . . .
H56C H 0.0842 0.9633 0.4562 0.076 Uiso 1 1 calc GR . . . .
C57 C 0.1284(8) 1.1578(5) 0.3719(3) 0.0555(18) Uani 1 1 d . U . . .
H57A H 0.1574 1.1692 0.3374 0.083 Uiso 1 1 calc GR . . . .
H57B H 0.1894 1.1729 0.3920 0.083 Uiso 1 1 calc GR . . . .
H57C H 0.0341 1.2009 0.3738 0.083 Uiso 1 1 calc GR . . . .
C58 C -0.3330(11) 1.1245(10) 0.3159(5) 0.033(3) Uani 0.520(8) 1 d D U P B 1
C59 C -0.3671(12) 1.2167(9) 0.3353(5) 0.049(3) Uani 0.520(8) 1 d D U P B 1
H59A H -0.3415 1.1973 0.3705 0.073 Uiso 0.520(8) 1 calc GR . P B 1
H59B H -0.4658 1.2522 0.3311 0.073 Uiso 0.520(8) 1 calc GR . P B 1
H59C H -0.3163 1.2602 0.3168 0.073 Uiso 0.520(8) 1 calc GR . P B 1
C60 C -0.4231(12) 1.0628(9) 0.3401(5) 0.052(3) Uani 0.520(8) 1 d D U P B 1
H60A H -0.3994 1.0025 0.3280 0.079 Uiso 0.520(8) 1 calc GR . P B 1
H60B H -0.5195 1.1017 0.3319 0.079 Uiso 0.520(8) 1 calc GR . P B 1
H60C H -0.4090 1.0443 0.3761 0.079 Uiso 0.520(8) 1 calc GR . P B 1
C61 C -0.3682(12) 1.1589(9) 0.2603(4) 0.042(3) Uani 0.520(8) 1 d D U P B 1
H61A H -0.3057 1.1941 0.2430 0.064 Uiso 0.520(8) 1 calc GR . P B 1
H61B H -0.4629 1.2037 0.2550 0.064 Uiso 0.520(8) 1 calc GR . P B 1
H61C H -0.3586 1.1010 0.2474 0.064 Uiso 0.520(8) 1 calc GR . P B 1
C121 C 0.8670(11) 0.6983(8) 0.1610(3) 0.052(3) Uani 0.562(15) 1 d . U P A 1
H121 H 0.8725 0.6947 0.1274 0.063 Uiso 0.562(15) 1 calc R . P A 1
C122 C 0.9115(13) 0.6166(5) 0.2030(4) 0.056(3) Uani 0.562(15) 1 d G U P A 1
H122 H 0.9520 0.5488 0.2025 0.067 Uiso 0.562(15) 1 calc R . P A 1
C123 C 0.8849(11) 0.6541(8) 0.2459(3) 0.056(3) Uani 0.562(15) 1 d G U P A 1
H123 H 0.9044 0.6157 0.2792 0.067 Uiso 0.562(15) 1 calc R . P A 1
C124 C 0.8240(9) 0.7589(8) 0.2304(5) 0.054(3) Uani 0.562(15) 1 d G U P A 1
H124 H 0.7956 0.8031 0.2515 0.065 Uiso 0.562(15) 1 calc R . P A 1
C125 C 0.8129(10) 0.7863(5) 0.1779(5) 0.055(3) Uani 0.562(15) 1 d G U P A 1
H125 H 0.7759 0.8519 0.1577 0.066 Uiso 0.562(15) 1 calc R . P A 1
P101 P 0.56754(19) 0.72136(15) 0.14479(9) 0.0315(5) Uani 0.675(2) 1 d D U P A 1
P102 P 0.6592(2) 0.55308(16) 0.24175(14) 0.0616(9) Uani 0.675(2) 1 d D U P A 1
P103 P 0.53651(19) 0.76913(14) 0.24870(8) 0.0296(5) Uani 0.675(2) 1 d D U P A 1
O101 O 0.4193(5) 0.7287(4) 0.1534(2) 0.0268(11) Uani 0.675(2) 1 d D U P A 1
O102 O 0.5231(5) 0.5450(3) 0.2326(2) 0.0265(11) Uani 0.675(2) 1 d D U P A 1
O103 O 0.4056(5) 0.7436(4) 0.25415(19) 0.0263(10) Uani 0.675(2) 1 d D U P A 1
O104 O 0.5744(8) 0.8220(5) 0.1071(2) 0.0414(16) Uani 0.675(2) 1 d D U P A 1
O105 O 0.6269(10) 0.6452(6) 0.1108(3) 0.049(2) Uani 0.675(2) 1 d D U P A 1
O106 O 0.7737(8) 0.4520(6) 0.2450(4) 0.079(2) Uani 0.675(2) 1 d D U P A 1
O107 O 0.7122(10) 0.5292(9) 0.2934(4) 0.097(3) Uani 0.675(2) 1 d D U P A 1
O108 O 0.5996(6) 0.7519(6) 0.3025(2) 0.0403(14) Uani 0.675(2) 1 d D U P A 1
O109 O 0.4985(5) 0.8879(4) 0.2299(2) 0.0343(13) Uani 0.675(2) 1 d D U P A 1
C101 C 0.4962(12) 0.8535(8) 0.0619(4) 0.049(3) Uani 0.675(2) 1 d D U P A 1
H10A H 0.4592 0.8005 0.0593 0.058 Uiso 0.675(2) 1 calc R . P A 1
H10B H 0.5574 0.8634 0.0335 0.058 Uiso 0.675(2) 1 calc R . P A 1
C102 C 0.3835(10) 0.9453(8) 0.0588(5) 0.059(3) Uani 0.675(2) 1 d D U P A 1
H10C H 0.3287 0.9608 0.0287 0.089 Uiso 0.675(2) 1 calc GR . P A 1
H10D H 0.4201 0.9996 0.0578 0.089 Uiso 0.675(2) 1 calc GR . P A 1
H10E H 0.3257 0.9373 0.0878 0.089 Uiso 0.675(2) 1 calc GR . P A 1
C103 C 0.5466(12) 0.5868(9) 0.1013(5) 0.053(3) Uani 0.675(2) 1 d D U P A 1
H10F H 0.4530 0.6310 0.0901 0.064 Uiso 0.675(2) 1 calc R . P A 1
H10G H 0.5389 0.5378 0.1323 0.064 Uiso 0.675(2) 1 calc R . P A 1
C104 C 0.6117(11) 0.5338(8) 0.0629(5) 0.048(3) Uani 0.675(2) 1 d D U P A 1
H10H H 0.5982 0.5814 0.0303 0.073 Uiso 0.675(2) 1 calc GR . P A 1
H10I H 0.5698 0.4827 0.0626 0.073 Uiso 0.675(2) 1 calc GR . P A 1
H10J H 0.7101 0.5023 0.0703 0.073 Uiso 0.675(2) 1 calc GR . P A 1
C105 C 0.7890(12) 0.4124(11) 0.2020(5) 0.062(3) Uani 0.675(2) 1 d D U P A 1
H10K H 0.7960 0.4636 0.1718 0.075 Uiso 0.675(2) 1 calc R . P A 1
H10L H 0.7086 0.3919 0.1980 0.075 Uiso 0.675(2) 1 calc R . P A 1
C106 C 0.9197(18) 0.3227(11) 0.2098(7) 0.053(4) Uani 0.675(2) 1 d D U P A 1
H10M H 0.9304 0.2921 0.1818 0.079 Uiso 0.675(2) 1 calc GR . P A 1
H10N H 0.9133 0.2740 0.2405 0.079 Uiso 0.675(2) 1 calc GR . P A 1
H10O H 0.9990 0.3444 0.2119 0.079 Uiso 0.675(2) 1 calc GR . P A 1
C107 C 0.6728(15) 0.4769(11) 0.3383(5) 0.085(4) Uani 0.675(2) 1 d D U P A 1
H10P H 0.6056 0.4461 0.3318 0.102 Uiso 0.675(2) 1 calc R . P A 1
H10Q H 0.6288 0.5233 0.3592 0.102 Uiso 0.675(2) 1 calc R . P A 1
C108 C 0.796(2) 0.3984(14) 0.3646(8) 0.088(7) Uani 0.675(2) 1 d D U P A 1
H10R H 0.8308 0.3473 0.3462 0.133 Uiso 0.675(2) 1 calc GR . P A 1
H10S H 0.7704 0.3682 0.3979 0.133 Uiso 0.675(2) 1 calc GR . P A 1
H10T H 0.8667 0.4282 0.3671 0.133 Uiso 0.675(2) 1 calc GR . P A 1
C109 C 0.5056(9) 0.7914(7) 0.3394(3) 0.0424(19) Uani 0.675(2) 1 d D U P A 1
H10U H 0.4302 0.8503 0.3223 0.051 Uiso 0.675(2) 1 calc R . P A 1
H10V H 0.5553 0.8129 0.3612 0.051 Uiso 0.675(2) 1 calc R . P A 1
C110 C 0.4467(7) 0.7145(6) 0.3702(3) 0.0348(17) Uani 0.675(2) 1 d D U P A 1
H11A H 0.3961 0.6940 0.3486 0.052 Uiso 0.675(2) 1 calc GR . P A 1
H11B H 0.3844 0.7426 0.3945 0.052 Uiso 0.675(2) 1 calc GR . P A 1
H11C H 0.5212 0.6565 0.3874 0.052 Uiso 0.675(2) 1 calc GR . P A 1
C111 C 0.3859(12) 0.9485(7) 0.1969(4) 0.036(2) Uani 0.675(2) 1 d D U P A 1
H11D H 0.3199 0.9119 0.1977 0.043 Uiso 0.675(2) 1 calc R . P A 1
H11E H 0.4196 0.9633 0.1627 0.043 Uiso 0.675(2) 1 calc R . P A 1
C112 C 0.3157(14) 1.0431(9) 0.2111(5) 0.039(3) Uani 0.675(2) 1 d D U P A 1
H11F H 0.2449 1.0863 0.1862 0.058 Uiso 0.675(2) 1 calc GR . P A 1
H11G H 0.3828 1.0766 0.2131 0.058 Uiso 0.675(2) 1 calc GR . P A 1
H11H H 0.2733 1.0289 0.2435 0.058 Uiso 0.675(2) 1 calc GR . P A 1
C58B C -0.3337(12) 1.1233(10) 0.3154(5) 0.032(3) Uani 0.480(8) 1 d D U P B 2
C59B C -0.3983(12) 1.1305(10) 0.3652(4) 0.043(3) Uani 0.480(8) 1 d D U P B 2
H59D H -0.3915 1.0636 0.3854 0.065 Uiso 0.480(8) 1 calc GR . P B 2
H59E H -0.4951 1.1711 0.3602 0.065 Uiso 0.480(8) 1 calc GR . P B 2
H59F H -0.3502 1.1613 0.3821 0.065 Uiso 0.480(8) 1 calc GR . P B 2
C60B C -0.4178(11) 1.0843(9) 0.2879(5) 0.038(3) Uani 0.480(8) 1 d D U P B 2
H60D H -0.3846 1.0875 0.2540 0.057 Uiso 0.480(8) 1 calc GR . P B 2
H60E H -0.5144 1.1251 0.2869 0.057 Uiso 0.480(8) 1 calc GR . P B 2
H60F H -0.4086 1.0152 0.3050 0.057 Uiso 0.480(8) 1 calc GR . P B 2
C61B C -0.3416(12) 1.2283(8) 0.2846(4) 0.036(3) Uani 0.480(8) 1 d D U P B 2
H61D H -0.2935 1.2576 0.3025 0.054 Uiso 0.480(8) 1 calc GR . P B 2
H61E H -0.4378 1.2699 0.2793 0.054 Uiso 0.480(8) 1 calc GR . P B 2
H61F H -0.2984 1.2243 0.2526 0.054 Uiso 0.480(8) 1 calc GR . P B 2
P201 P 0.6368(4) 0.5810(4) 0.16746(18) 0.0398(11) Uani 0.325(2) 1 d D U P A 2
P202 P 0.6173(5) 0.6442(3) 0.26636(18) 0.0386(11) Uani 0.325(2) 1 d D U P A 2
P203 P 0.5206(5) 0.8018(4) 0.1652(2) 0.0511(14) Uani 0.325(2) 1 d D U P A 2
O201 O 0.5064(10) 0.5610(8) 0.1877(4) 0.036(2) Uani 0.325(2) 1 d D U P A 2
O202 O 0.4678(10) 0.6533(10) 0.2687(4) 0.041(3) Uani 0.325(2) 1 d D U P A 2
O203 O 0.3907(12) 0.7739(10) 0.1656(6) 0.048(3) Uani 0.325(2) 1 d D U P A 2
O204 O 0.629(2) 0.6122(14) 0.1091(4) 0.052(4) Uani 0.325(2) 1 d D U P A 2
O205 O 0.7583(10) 0.4830(8) 0.1819(5) 0.0398(11) Uani 0.325(2) 1 d D U P A 2
O206 O 0.6578(12) 0.5405(7) 0.3073(4) 0.029(2) Uani 0.325(2) 1 d D U P A 2
O207 O 0.6506(19) 0.6954(12) 0.3043(6) 0.066(4) Uani 0.325(2) 1 d D U P A 2
O208 O 0.4950(13) 0.8881(9) 0.1938(6) 0.056(3) Uani 0.325(2) 1 d D U P A 2
O209 O 0.5322(17) 0.8623(12) 0.1097(5) 0.058(4) Uani 0.325(2) 1 d D U P A 2
C201 C 0.557(3) 0.570(3) 0.0831(9) 0.075(6) Uani 0.325(2) 1 d D U P A 2
H20A H 0.5501 0.5073 0.1055 0.089 Uiso 0.325(2) 1 calc R . P A 2
H20B H 0.4625 0.6164 0.0757 0.089 Uiso 0.325(2) 1 calc R . P A 2
C202 C 0.616(4) 0.549(3) 0.0384(9) 0.082(9) Uani 0.325(2) 1 d D U P A 2
H20C H 0.6258 0.6103 0.0162 0.123 Uiso 0.325(2) 1 calc GR . P A 2
H20D H 0.5567 0.5247 0.0226 0.123 Uiso 0.325(2) 1 calc GR . P A 2
H20E H 0.7064 0.4988 0.0455 0.123 Uiso 0.325(2) 1 calc GR . P A 2
C203 C 0.759(2) 0.3855(12) 0.2103(9) 0.041(5) Uani 0.325(2) 1 d D U P A 2
H20F H 0.7073 0.3586 0.1918 0.049 Uiso 0.325(2) 1 calc R . P A 2
H20G H 0.7129 0.3905 0.2422 0.049 Uiso 0.325(2) 1 calc R . P A 2
C204 C 0.902(4) 0.317(2) 0.2197(18) 0.063(11) Uani 0.325(2) 1 d D U P A 2
H20H H 0.9596 0.3356 0.1920 0.095 Uiso 0.325(2) 1 calc GR . P A 2
H20I H 0.9036 0.2486 0.2232 0.095 Uiso 0.325(2) 1 calc GR . P A 2
H20J H 0.9380 0.3220 0.2503 0.095 Uiso 0.325(2) 1 calc GR . P A 2
C205 C 0.6230(19) 0.4588(13) 0.3392(6) 0.034(3) Uani 0.325(2) 1 d D U P A 2
H20K H 0.5841 0.4261 0.3196 0.041 Uiso 0.325(2) 1 calc R . P A 2
H20L H 0.5541 0.4823 0.3634 0.041 Uiso 0.325(2) 1 calc R . P A 2
C206 C 0.756(3) 0.386(2) 0.3660(13) 0.048(6) Uani 0.325(2) 1 d D U P A 2
H20M H 0.8161 0.3537 0.3424 0.072 Uiso 0.325(2) 1 calc GR . P A 2
H20N H 0.7334 0.3348 0.3926 0.072 Uiso 0.325(2) 1 calc GR . P A 2
H20O H 0.8017 0.4217 0.3803 0.072 Uiso 0.325(2) 1 calc GR . P A 2
C207 C 0.551(3) 0.780(2) 0.3172(14) 0.089(7) Uani 0.325(2) 1 d D U P A 2
H20P H 0.5004 0.7567 0.3468 0.107 Uiso 0.325(2) 1 calc R . P A 2
H20Q H 0.4839 0.8167 0.2895 0.107 Uiso 0.325(2) 1 calc R . P A 2
C208 C 0.624(4) 0.845(2) 0.328(2) 0.172(14) Uani 0.325(2) 1 d D U P A 2
H20R H 0.5767 0.9145 0.3105 0.258 Uiso 0.325(2) 1 calc GR . P A 2
H20S H 0.7185 0.8254 0.3156 0.258 Uiso 0.325(2) 1 calc GR . P A 2
H20T H 0.6265 0.8387 0.3633 0.258 Uiso 0.325(2) 1 calc GR . P A 2
C209 C 0.369(3) 0.9702(19) 0.1840(12) 0.065(7) Uani 0.325(2) 1 d D U P A 2
H20U H 0.2907 0.9447 0.1854 0.078 Uiso 0.325(2) 1 calc R . P A 2
H20V H 0.3709 1.0129 0.1503 0.078 Uiso 0.325(2) 1 calc R . P A 2
C210 C 0.351(4) 1.031(2) 0.2213(15) 0.071(9) Uani 0.325(2) 1 d D U P A 2
H21A H 0.2683 1.0882 0.2130 0.107 Uiso 0.325(2) 1 calc GR . P A 2
H21B H 0.4311 1.0534 0.2208 0.107 Uiso 0.325(2) 1 calc GR . P A 2
H21C H 0.3432 0.9895 0.2543 0.107 Uiso 0.325(2) 1 calc GR . P A 2
C211 C 0.450(4) 0.865(2) 0.0693(9) 0.084(7) Uani 0.325(2) 1 d D U P A 2
H21D H 0.3647 0.8509 0.0825 0.100 Uiso 0.325(2) 1 calc R . P A 2
H21E H 0.5007 0.8132 0.0523 0.100 Uiso 0.325(2) 1 calc R . P A 2
C212 C 0.414(4) 0.964(2) 0.0338(10) 0.105(12) Uani 0.325(2) 1 d D U P A 2
H21F H 0.3726 0.9606 0.0038 0.157 Uiso 0.325(2) 1 calc GR . P A 2
H21G H 0.4968 0.9824 0.0251 0.157 Uiso 0.325(2) 1 calc GR . P A 2
H21H H 0.3482 1.0129 0.0488 0.157 Uiso 0.325(2) 1 calc GR . P A 2
Tb2 Tb 0.9733(8) 0.6454(5) 0.2176(3) 0.034(2) Uani 0.0384(11) 1 d . U P C 5
Co1A Co 0.7035(7) 0.6868(7) 0.1929(6) 0.0518(15) Uani 0.40(3) 1 d . U P A 2
C221 C 0.8207(13) 0.7642(12) 0.1506(6) 0.070(4) Uani 0.438(15) 1 d . U P A 2
H221 H 0.7907 0.8104 0.1196 0.085 Uiso 0.438(15) 1 calc R . P A 2
C222 C 0.8802(17) 0.6595(13) 0.1586(5) 0.072(4) Uani 0.438(15) 1 d G U P A 2
H222 H 0.9058 0.6223 0.1322 0.086 Uiso 0.438(15) 1 calc R . P A 2
C223 C 0.9103(18) 0.6184(7) 0.2100(6) 0.059(4) Uani 0.438(15) 1 d G U P A 2
H223 H 0.9506 0.5499 0.2257 0.071 Uiso 0.438(15) 1 calc R . P A 2
C224 C 0.8694(15) 0.6977(12) 0.2338(5) 0.063(4) Uani 0.438(15) 1 d G U P A 2
H224 H 0.8776 0.6915 0.2682 0.075 Uiso 0.438(15) 1 calc R . P A 2
C225 C 0.8140(14) 0.7878(8) 0.1971(8) 0.068(4) Uani 0.438(15) 1 d G U P A 2
H225 H 0.7788 0.8524 0.2026 0.081 Uiso 0.438(15) 1 calc R . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Tb1 N1 2.416(4) . ?
Tb1 N2 2.415(4) . ?
Tb1 N3 2.407(4) . ?
Tb1 N4 2.425(3) . ?
Tb1 O101 2.296(5) . ?
Tb1 O102 2.325(4) . ?
Tb1 O103 2.328(5) . ?
Tb1 O201 2.357(10) . ?
Tb1 O202 2.268(10) . ?
Tb1 O203 2.314(12) . ?
Tb1 Tb2 3.463(8) 1_455 ?
Co1 C121 2.108(12) . ?
Co1 C122 2.099(12) . ?
Co1 C123 2.064(11) . ?
Co1 C124 2.051(9) . ?
Co1 C125 2.078(10) . ?
Co1 P101 2.192(7) . ?
Co1 P102 2.160(5) . ?
Co1 P103 2.151(5) . ?
Si1 C24 1.848(5) . ?
Si1 C25 1.878(7) . ?
Si1 C28 1.883(6) . ?
Si1 C31 1.903(6) . ?
N1 C1 1.367(5) . ?
N1 C4 1.375(5) . ?
N1 Tb2 2.935(8) 1_455 ?
N2 C6 1.377(6) . ?
N2 C9 1.365(6) . ?
N2 Tb2 2.936(8) 1_455 ?
N3 C11 1.366(6) . ?
N3 C14 1.375(6) . ?
N4 C16 1.375(5) . ?
N4 C19 1.359(5) . ?
C1 C2 1.432(6) . ?
C1 C20 1.420(6) . ?
C2 H2 0.9500 . ?
C2 C3 1.353(6) . ?
C3 H3 0.9500 . ?
C3 C4 1.445(6) . ?
C4 C5 1.405(6) . ?
C5 C6 1.412(6) . ?
C5 C34 1.498(6) . ?
C6 C7 1.448(6) . ?
C7 H7 0.9500 . ?
C7 C8 1.348(7) . ?
C8 H8 0.9500 . ?
C8 C9 1.443(6) . ?
C9 C10 1.411(6) . ?
C10 C11 1.413(6) . ?
C10 C23 1.442(6) . ?
C11 C12 1.442(7) . ?
C12 H12 0.9500 . ?
C12 C13 1.345(7) . ?
C13 H13 0.9500 . ?
C13 C14 1.441(6) . ?
C14 C15 1.405(6) . ?
C15 C16 1.412(6) . ?
C15 C48 1.495(6) . ?
C16 C17 1.441(6) . ?
C17 H17 0.9500 . ?
C17 C18 1.353(6) . ?
C18 H18 0.9500 . ?
C18 C19 1.440(6) . ?
C19 C20 1.415(6) . ?
C20 C21 1.424(6) . ?
C21 C22 1.211(6) . ?
C22 C22 1.364(9) 2_575 ?
C23 C24 1.204(7) . ?
C25 H25 1.0000 . ?
C25 C26 1.526(10) . ?
C25 C27 1.532(10) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28 1.0000 . ?
C28 C29 1.544(8) . ?
C28 C30 1.529(9) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31 1.0000 . ?
C31 C32 1.540(8) . ?
C31 C33 1.530(9) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 C35 1.392(6) . ?
C34 C39 1.394(6) . ?
C35 H35 0.9500 . ?
C35 C36 1.387(6) . ?
C36 C37 1.392(6) . ?
C36 C40 1.546(6) . ?
C37 H37 0.9500 . ?
C37 C38 1.386(6) . ?
C38 C39 1.399(6) . ?
C38 C44 1.540(6) . ?
C39 H39 0.9500 . ?
C40 C41 1.532(7) . ?
C40 C42 1.525(8) . ?
C40 C43 1.522(7) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 C45 1.529(8) . ?
C44 C46 1.520(7) . ?
C44 C47 1.519(7) . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 C49 1.381(7) . ?
C48 C53 1.394(7) . ?
C49 H49 0.9500 . ?
C49 C50 1.404(6) . ?
C50 C51 1.376(7) . ?
C50 C54 1.554(7) . ?
C51 H51 0.9500 . ?
C51 C52 1.390(7) . ?
C52 C53 1.400(6) . ?
C52 C58 1.526(11) . ?
C52 C58B 1.530(12) . ?
C53 H53 0.9500 . ?
C54 C55 1.520(9) . ?
C54 C56 1.535(8) . ?
C54 C57 1.507(8) . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 C59 1.515(14) . ?
C58 C60 1.511(15) . ?
C58 C61 1.533(15) . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C121 H121 0.9500 . ?
C121 C122 1.4200 . ?
C121 C125 1.4200 . ?
C122 H122 0.9500 . ?
C122 C123 1.4200 . ?
C123 H123 0.9500 . ?
C123 C124 1.4200 . ?
C124 H124 0.9500 . ?
C124 C125 1.4200 . ?
C125 H125 0.9500 . ?
P101 O101 1.505(5) . ?
P101 O104 1.597(6) . ?
P101 O105 1.599(7) . ?
P102 O102 1.489(5) . ?
P102 O106 1.554(7) . ?
P102 O107 1.492(9) . ?
P103 O103 1.502(5) . ?
P103 O108 1.606(6) . ?
P103 O109 1.606(5) . ?
O104 C101 1.434(10) . ?
O105 C103 1.447(10) . ?
O106 C105 1.442(12) . ?
O107 C107 1.403(12) . ?
O108 C109 1.466(9) . ?
O109 C111 1.428(9) . ?
C101 H10A 0.9900 . ?
C101 H10B 0.9900 . ?
C101 C102 1.454(14) . ?
C102 H10C 0.9800 . ?
C102 H10D 0.9800 . ?
C102 H10E 0.9800 . ?
C103 H10F 0.9900 . ?
C103 H10G 0.9900 . ?
C103 C104 1.487(12) . ?
C104 H10H 0.9800 . ?
C104 H10I 0.9800 . ?
C104 H10J 0.9800 . ?
C105 H10K 0.9900 . ?
C105 H10L 0.9900 . ?
C105 C106 1.530(13) . ?
C106 H10M 0.9800 . ?
C106 H10N 0.9800 . ?
C106 H10O 0.9800 . ?
C107 H10P 0.9900 . ?
C107 H10Q 0.9900 . ?
C107 C108 1.488(17) . ?
C108 H10R 0.9800 . ?
C108 H10S 0.9800 . ?
C108 H10T 0.9800 . ?
C109 H10U 0.9900 . ?
C109 H10V 0.9900 . ?
C109 C110 1.502(12) . ?
C110 H11A 0.9800 . ?
C110 H11B 0.9800 . ?
C110 H11C 0.9800 . ?
C111 H11D 0.9900 . ?
C111 H11E 0.9900 . ?
C111 C112 1.485(12) . ?
C112 H11F 0.9800 . ?
C112 H11G 0.9800 . ?
C112 H11H 0.9800 . ?
C58B C59B 1.517(15) . ?
C58B C60B 1.518(15) . ?
C58B C61B 1.537(15) . ?
C59B H59D 0.9800 . ?
C59B H59E 0.9800 . ?
C59B H59F 0.9800 . ?
C60B H60D 0.9800 . ?
C60B H60E 0.9800 . ?
C60B H60F 0.9800 . ?
C61B H61D 0.9800 . ?
C61B H61E 0.9800 . ?
C61B H61F 0.9800 . ?
P201 O201 1.510(10) . ?
P201 O204 1.576(12) . ?
P201 O205 1.550(10) . ?
P201 Co1A 2.171(16) . ?
P202 O202 1.502(11) . ?
P202 O206 1.598(10) . ?
P202 O207 1.559(11) . ?
P202 Co1A 2.203(14) . ?
P203 O203 1.520(11) . ?
P203 O208 1.611(11) . ?
P203 O209 1.595(11) . ?
P203 Co1A 2.113(8) . ?
O204 C201 1.439(14) . ?
O205 C203 1.443(13) . ?
O206 C205 1.431(13) . ?
O207 C207 1.439(14) . ?
O208 C209 1.440(14) . ?
O209 C211 1.442(14) . ?
C201 H20A 0.9900 . ?
C201 H20B 0.9900 . ?
C201 C202 1.41(2) . ?
C202 H20C 0.9800 . ?
C202 H20D 0.9800 . ?
C202 H20E 0.9800 . ?
C203 H20F 0.9900 . ?
C203 H20G 0.9900 . ?
C203 C204 1.49(2) . ?
C204 H20H 0.9800 . ?
C204 H20I 0.9800 . ?
C204 H20J 0.9800 . ?
C205 H20K 0.9900 . ?
C205 H20L 0.9900 . ?
C205 C206 1.534(18) . ?
C206 H20M 0.9800 . ?
C206 H20N 0.9800 . ?
C206 H20O 0.9800 . ?
C207 H20P 0.9900 . ?
C207 H20Q 0.9900 . ?
C207 C208 1.50(2) . ?
C208 H20R 0.9800 . ?
C208 H20S 0.9800 . ?
C208 H20T 0.9800 . ?
C209 H20U 0.9900 . ?
C209 H20V 0.9900 . ?
C209 C210 1.50(2) . ?
C210 H21A 0.9800 . ?
C210 H21B 0.9800 . ?
C210 H21C 0.9800 . ?
C211 H21D 0.9900 . ?
C211 H21E 0.9900 . ?
C211 C212 1.47(2) . ?
C212 H21F 0.9800 . ?
C212 H21G 0.9800 . ?
C212 H21H 0.9800 . ?
Tb2 Tb1 3.463(8) 1_655 ?
Tb2 N1 2.935(8) 1_655 ?
Tb2 N2 2.936(8) 1_655 ?
Co1A C221 2.038(14) . ?
Co1A C222 1.973(19) . ?
Co1A C223 2.070(18) . ?
Co1A C224 2.188(19) . ?
Co1A C225 2.169(17) . ?
C221 H221 0.9500 . ?
C221 C222 1.4200 . ?
C221 C225 1.4200 . ?
C222 H222 1.0000 . ?
C222 C223 1.4200 . ?
C223 H223 0.9500 . ?
C223 C224 1.4200 . ?
C224 H224 0.9500 . ?
C224 C225 1.4200 . ?
C225 H225 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Tb1 N4 74.37(12) . . ?
N1 Tb1 Tb2 56.58(15) . 1_455 ?
N2 Tb1 N1 74.45(12) . . ?
N2 Tb1 N4 117.37(12) . . ?
N2 Tb1 Tb2 56.62(14) . 1_455 ?
N3 Tb1 N1 117.77(12) . . ?
N3 Tb1 N2 74.68(12) . . ?
N3 Tb1 N4 74.19(12) . . ?
N3 Tb1 Tb2 61.25(15) . 1_455 ?
N4 Tb1 Tb2 60.81(14) . 1_455 ?
O101 Tb1 N1 77.72(16) . . ?
O101 Tb1 N2 134.78(17) . . ?
O101 Tb1 N3 150.53(17) . . ?
O101 Tb1 N4 87.68(16) . . ?
O101 Tb1 O102 79.27(18) . . ?
O101 Tb1 O103 76.80(19) . . ?
O102 Tb1 N1 113.16(15) . . ?
O102 Tb1 N2 79.86(15) . . ?
O102 Tb1 N3 112.64(16) . . ?
O102 Tb1 N4 162.77(15) . . ?
O102 Tb1 O103 79.48(17) . . ?
O103 Tb1 N1 148.68(15) . . ?
O103 Tb1 N2 136.87(15) . . ?
O103 Tb1 N3 79.08(15) . . ?
O103 Tb1 N4 86.66(14) . . ?
O201 Tb1 N1 85.6(3) . . ?
O201 Tb1 N2 83.8(3) . . ?
O201 Tb1 N3 141.3(3) . . ?
O201 Tb1 N4 144.4(3) . . ?
O202 Tb1 N1 161.0(3) . . ?
O202 Tb1 N2 110.0(3) . . ?
O202 Tb1 N3 80.9(3) . . ?
O202 Tb1 N4 116.8(3) . . ?
O202 Tb1 O201 76.7(4) . . ?
O202 Tb1 O203 80.9(5) . . ?
O203 Tb1 N1 88.1(4) . . ?
O203 Tb1 N2 154.3(4) . . ?
O203 Tb1 N3 130.9(4) . . ?
O203 Tb1 N4 74.3(3) . . ?
O203 Tb1 O201 75.9(4) . . ?
C121 Co1 P101 90.2(4) . . ?
C121 Co1 P102 122.9(3) . . ?
C121 Co1 P103 146.4(3) . . ?
C122 Co1 C121 39.5(2) . . ?
C122 Co1 P101 118.0(5) . . ?
C122 Co1 P102 92.6(3) . . ?
C122 Co1 P103 149.4(5) . . ?
C123 Co1 C121 66.8(3) . . ?
C123 Co1 C122 39.9(2) . . ?
C123 Co1 C125 67.4(2) . . ?
C123 Co1 P101 156.5(4) . . ?
C123 Co1 P102 96.8(4) . . ?
C123 Co1 P103 109.6(4) . . ?
C124 Co1 C121 67.1(2) . . ?
C124 Co1 C122 67.2(2) . . ?
C124 Co1 C123 40.37(17) . . ?
C124 Co1 C125 40.22(16) . . ?
C124 Co1 P101 136.0(5) . . ?
C124 Co1 P102 132.5(5) . . ?
C124 Co1 P103 88.6(3) . . ?
C125 Co1 C121 39.65(19) . . ?
C125 Co1 C122 66.7(3) . . ?
C125 Co1 P101 98.6(4) . . ?
C125 Co1 P102 159.3(3) . . ?
C125 Co1 P103 107.0(3) . . ?
P102 Co1 P101 91.48(17) . . ?
P103 Co1 P101 92.29(15) . . ?
P103 Co1 P102 90.5(2) . . ?
C24 Si1 C25 108.1(3) . . ?
C24 Si1 C28 107.4(3) . . ?
C24 Si1 C31 103.6(2) . . ?
C25 Si1 C28 109.7(3) . . ?
C25 Si1 C31 116.1(3) . . ?
C28 Si1 C31 111.3(3) . . ?
Tb1 N1 Tb2 80.02(19) . 1_455 ?
C1 N1 Tb1 122.9(3) . . ?
C1 N1 C4 106.2(3) . . ?
C1 N1 Tb2 112.4(3) . 1_455 ?
C4 N1 Tb1 123.3(3) . . ?
C4 N1 Tb2 107.3(3) . 1_455 ?
Tb1 N2 Tb2 80.01(17) . 1_455 ?
C6 N2 Tb1 124.4(3) . . ?
C6 N2 Tb2 104.1(3) . 1_455 ?
C9 N2 Tb1 124.9(3) . . ?
C9 N2 C6 106.6(4) . . ?
C9 N2 Tb2 108.6(3) . 1_455 ?
C11 N3 Tb1 123.9(3) . . ?
C11 N3 C14 106.1(4) . . ?
C14 N3 Tb1 124.8(3) . . ?
C16 N4 Tb1 123.8(3) . . ?
C19 N4 Tb1 122.8(3) . . ?
C19 N4 C16 106.6(3) . . ?
N1 C1 C2 110.3(4) . . ?
N1 C1 C20 125.0(4) . . ?
C20 C1 C2 124.6(4) . . ?
C1 C2 H2 126.5 . . ?
C3 C2 C1 107.1(4) . . ?
C3 C2 H2 126.5 . . ?
C2 C3 H3 126.6 . . ?
C2 C3 C4 106.9(4) . . ?
C4 C3 H3 126.6 . . ?
N1 C4 C3 109.5(4) . . ?
N1 C4 C5 125.3(4) . . ?
C5 C4 C3 125.2(4) . . ?
C4 C5 C6 125.8(4) . . ?
C4 C5 C34 116.8(4) . . ?
C6 C5 C34 117.4(4) . . ?
N2 C6 C5 125.9(4) . . ?
N2 C6 C7 109.2(4) . . ?
C5 C6 C7 124.8(4) . . ?
C6 C7 H7 126.4 . . ?
C8 C7 C6 107.2(4) . . ?
C8 C7 H7 126.4 . . ?
C7 C8 H8 126.5 . . ?
C7 C8 C9 107.0(4) . . ?
C9 C8 H8 126.5 . . ?
N2 C9 C8 110.0(4) . . ?
N2 C9 C10 125.2(4) . . ?
C10 C9 C8 124.7(4) . . ?
C9 C10 C11 126.1(4) . . ?
C9 C10 C23 118.4(4) . . ?
C11 C10 C23 115.5(4) . . ?
N3 C11 C10 125.4(4) . . ?
N3 C11 C12 110.2(4) . . ?
C10 C11 C12 124.2(4) . . ?
C11 C12 H12 126.6 . . ?
C13 C12 C11 106.8(4) . . ?
C13 C12 H12 126.6 . . ?
C12 C13 H13 126.3 . . ?
C12 C13 C14 107.4(4) . . ?
C14 C13 H13 126.3 . . ?
N3 C14 C13 109.6(4) . . ?
N3 C14 C15 125.6(4) . . ?
C15 C14 C13 124.6(4) . . ?
C14 C15 C16 125.9(4) . . ?
C14 C15 C48 116.9(4) . . ?
C16 C15 C48 117.1(4) . . ?
N4 C16 C15 125.4(4) . . ?
N4 C16 C17 109.4(4) . . ?
C15 C16 C17 125.1(4) . . ?
C16 C17 H17 126.5 . . ?
C18 C17 C16 107.0(4) . . ?
C18 C17 H17 126.5 . . ?
C17 C18 H18 126.6 . . ?
C17 C18 C19 106.8(4) . . ?
C19 C18 H18 126.6 . . ?
N4 C19 C18 110.1(4) . . ?
N4 C19 C20 125.8(4) . . ?
C20 C19 C18 124.1(4) . . ?
C1 C20 C21 117.0(4) . . ?
C19 C20 C1 126.0(4) . . ?
C19 C20 C21 116.9(4) . . ?
C22 C21 C20 178.1(5) . . ?
C21 C22 C22 179.3(6) . 2_575 ?
C24 C23 C10 174.5(5) . . ?
C23 C24 Si1 168.4(5) . . ?
Si1 C25 H25 108.0 . . ?
C26 C25 Si1 114.5(5) . . ?
C26 C25 H25 108.0 . . ?
C26 C25 C27 109.2(7) . . ?
C27 C25 Si1 109.0(5) . . ?
C27 C25 H25 108.0 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si1 C28 H28 105.8 . . ?
C29 C28 Si1 114.6(5) . . ?
C29 C28 H28 105.8 . . ?
C30 C28 Si1 113.0(4) . . ?
C30 C28 H28 105.8 . . ?
C30 C28 C29 111.0(6) . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
Si1 C31 H31 105.6 . . ?
C32 C31 Si1 113.2(5) . . ?
C32 C31 H31 105.6 . . ?
C33 C31 Si1 115.4(4) . . ?
C33 C31 H31 105.6 . . ?
C33 C31 C32 110.6(5) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C35 C34 C5 121.1(4) . . ?
C35 C34 C39 119.7(4) . . ?
C39 C34 C5 119.0(4) . . ?
C34 C35 H35 119.6 . . ?
C36 C35 C34 120.8(4) . . ?
C36 C35 H35 119.6 . . ?
C35 C36 C37 118.2(4) . . ?
C35 C36 C40 122.0(4) . . ?
C37 C36 C40 119.7(4) . . ?
C36 C37 H37 118.7 . . ?
C38 C37 C36 122.7(4) . . ?
C38 C37 H37 118.7 . . ?
C37 C38 C39 117.9(4) . . ?
C37 C38 C44 120.4(4) . . ?
C39 C38 C44 121.6(4) . . ?
C34 C39 C38 120.6(4) . . ?
C34 C39 H39 119.7 . . ?
C38 C39 H39 119.7 . . ?
C41 C40 C36 112.0(4) . . ?
C42 C40 C36 109.9(4) . . ?
C42 C40 C41 107.9(5) . . ?
C43 C40 C36 108.6(4) . . ?
C43 C40 C41 108.1(4) . . ?
C43 C40 C42 110.4(5) . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C40 C42 H42A 109.5 . . ?
C40 C42 H42B 109.5 . . ?
C40 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C40 C43 H43A 109.5 . . ?
C40 C43 H43B 109.5 . . ?
C40 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C45 C44 C38 109.1(4) . . ?
C46 C44 C38 109.5(4) . . ?
C46 C44 C45 109.2(5) . . ?
C47 C44 C38 112.6(4) . . ?
C47 C44 C45 107.7(5) . . ?
C47 C44 C46 108.7(5) . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C44 C46 H46A 109.5 . . ?
C44 C46 H46B 109.5 . . ?
C44 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C44 C47 H47A 109.5 . . ?
C44 C47 H47B 109.5 . . ?
C44 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C49 C48 C15 120.1(4) . . ?
C49 C48 C53 119.8(4) . . ?
C53 C48 C15 120.1(4) . . ?
C48 C49 H49 120.0 . . ?
C48 C49 C50 120.1(4) . . ?
C50 C49 H49 120.0 . . ?
C49 C50 C54 121.2(4) . . ?
C51 C50 C49 119.2(5) . . ?
C51 C50 C54 119.6(4) . . ?
C50 C51 H51 118.9 . . ?
C50 C51 C52 122.2(4) . . ?
C52 C51 H51 118.9 . . ?
C51 C52 C53 117.8(5) . . ?
C51 C52 C58 120.7(7) . . ?
C51 C52 C58B 121.8(7) . . ?
C53 C52 C58 121.4(7) . . ?
C53 C52 C58B 120.4(7) . . ?
C48 C53 C52 121.0(5) . . ?
C48 C53 H53 119.5 . . ?
C52 C53 H53 119.5 . . ?
C55 C54 C50 113.3(5) . . ?
C55 C54 C56 107.0(5) . . ?
C56 C54 C50 107.9(5) . . ?
C57 C54 C50 109.8(5) . . ?
C57 C54 C55 108.8(6) . . ?
C57 C54 C56 110.1(5) . . ?
C54 C55 H55A 109.5 . . ?
C54 C55 H55B 109.5 . . ?
C54 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C54 C56 H56A 109.5 . . ?
C54 C56 H56B 109.5 . . ?
C54 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C54 C57 H57A 109.5 . . ?
C54 C57 H57B 109.5 . . ?
C54 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C52 C58 C61 109.0(9) . . ?
C59 C58 C52 113.7(10) . . ?
C59 C58 C61 107.4(10) . . ?
C60 C58 C52 109.5(10) . . ?
C60 C58 C59 109.7(11) . . ?
C60 C58 C61 107.3(11) . . ?
C58 C59 H59A 109.5 . . ?
C58 C59 H59B 109.5 . . ?
C58 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C58 C60 H60A 109.5 . . ?
C58 C60 H60B 109.5 . . ?
C58 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C58 C61 H61A 109.5 . . ?
C58 C61 H61B 109.5 . . ?
C58 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
Co1 C121 H121 126.6 . . ?
C122 C121 Co1 69.9(4) . . ?
C122 C121 H121 126.0 . . ?
C125 C121 Co1 69.1(4) . . ?
C125 C121 H121 126.0 . . ?
C125 C121 C122 108.0 . . ?
Co1 C122 H122 126.2 . . ?
C121 C122 Co1 70.6(4) . . ?
C121 C122 H122 126.0 . . ?
C121 C122 C123 108.0 . . ?
C123 C122 Co1 68.7(4) . . ?
C123 C122 H122 126.0 . . ?
Co1 C123 H123 124.9 . . ?
C122 C123 Co1 71.4(4) . . ?
C122 C123 H123 126.0 . . ?
C122 C123 C124 108.0 . . ?
C124 C123 Co1 69.3(4) . . ?
C124 C123 H123 126.0 . . ?
Co1 C124 H124 124.4 . . ?
C123 C124 Co1 70.3(4) . . ?
C123 C124 H124 126.0 . . ?
C125 C124 Co1 70.9(4) . . ?
C125 C124 C123 108.0 . . ?
C125 C124 H124 126.0 . . ?
Co1 C125 H125 125.4 . . ?
C121 C125 Co1 71.3(4) . . ?
C121 C125 C124 108.0 . . ?
C121 C125 H125 126.0 . . ?
C124 C125 Co1 68.9(4) . . ?
C124 C125 H125 126.0 . . ?
O101 P101 Co1 119.0(3) . . ?
O101 P101 O104 108.4(4) . . ?
O101 P101 O105 106.9(4) . . ?
O104 P101 Co1 108.1(3) . . ?
O104 P101 O105 100.0(4) . . ?
O105 P101 Co1 112.7(4) . . ?
O102 P102 Co1 119.3(3) . . ?
O102 P102 O106 110.5(4) . . ?
O102 P102 O107 120.3(5) . . ?
O106 P102 Co1 119.8(4) . . ?
O107 P102 Co1 101.7(5) . . ?
O107 P102 O106 78.7(6) . . ?
O103 P103 Co1 118.8(2) . . ?
O103 P103 O108 109.5(3) . . ?
O103 P103 O109 108.2(3) . . ?
O108 P103 Co1 105.5(3) . . ?
O108 P103 O109 99.8(4) . . ?
O109 P103 Co1 113.2(3) . . ?
P101 O101 Tb1 134.1(3) . . ?
P102 O102 Tb1 134.1(3) . . ?
P103 O103 Tb1 136.7(3) . . ?
C101 O104 P101 116.6(6) . . ?
C103 O105 P101 120.1(7) . . ?
C105 O106 P102 116.3(8) . . ?
C107 O107 P102 131.1(10) . . ?
C109 O108 P103 117.3(5) . . ?
C111 O109 P103 123.1(6) . . ?
O104 C101 H10A 109.1 . . ?
O104 C101 H10B 109.1 . . ?
O104 C101 C102 112.5(8) . . ?
H10A C101 H10B 107.8 . . ?
C102 C101 H10A 109.1 . . ?
C102 C101 H10B 109.1 . . ?
C101 C102 H10C 109.5 . . ?
C101 C102 H10D 109.5 . . ?
C101 C102 H10E 109.5 . . ?
H10C C102 H10D 109.5 . . ?
H10C C102 H10E 109.5 . . ?
H10D C102 H10E 109.5 . . ?
O105 C103 H10F 109.5 . . ?
O105 C103 H10G 109.5 . . ?
O105 C103 C104 110.5(8) . . ?
H10F C103 H10G 108.1 . . ?
C104 C103 H10F 109.5 . . ?
C104 C103 H10G 109.5 . . ?
C103 C104 H10H 109.5 . . ?
C103 C104 H10I 109.5 . . ?
C103 C104 H10J 109.5 . . ?
H10H C104 H10I 109.5 . . ?
H10H C104 H10J 109.5 . . ?
H10I C104 H10J 109.5 . . ?
O106 C105 H10K 110.2 . . ?
O106 C105 H10L 110.2 . . ?
O106 C105 C106 107.6(10) . . ?
H10K C105 H10L 108.5 . . ?
C106 C105 H10K 110.2 . . ?
C106 C105 H10L 110.2 . . ?
C105 C106 H10M 109.5 . . ?
C105 C106 H10N 109.5 . . ?
C105 C106 H10O 109.5 . . ?
H10M C106 H10N 109.5 . . ?
H10M C106 H10O 109.5 . . ?
H10N C106 H10O 109.5 . . ?
O107 C107 H10P 109.8 . . ?
O107 C107 H10Q 109.8 . . ?
O107 C107 C108 109.5(12) . . ?
H10P C107 H10Q 108.2 . . ?
C108 C107 H10P 109.8 . . ?
C108 C107 H10Q 109.8 . . ?
C107 C108 H10R 109.5 . . ?
C107 C108 H10S 109.5 . . ?
C107 C108 H10T 109.5 . . ?
H10R C108 H10S 109.5 . . ?
H10R C108 H10T 109.5 . . ?
H10S C108 H10T 109.5 . . ?
O108 C109 H10U 109.4 . . ?
O108 C109 H10V 109.4 . . ?
O108 C109 C110 111.1(7) . . ?
H10U C109 H10V 108.0 . . ?
C110 C109 H10U 109.4 . . ?
C110 C109 H10V 109.4 . . ?
C109 C110 H11A 109.5 . . ?
C109 C110 H11B 109.5 . . ?
C109 C110 H11C 109.5 . . ?
H11A C110 H11B 109.5 . . ?
H11A C110 H11C 109.5 . . ?
H11B C110 H11C 109.5 . . ?
O109 C111 H11D 109.5 . . ?
O109 C111 H11E 109.5 . . ?
O109 C111 C112 110.8(8) . . ?
H11D C111 H11E 108.1 . . ?
C112 C111 H11D 109.5 . . ?
C112 C111 H11E 109.5 . . ?
C111 C112 H11F 109.5 . . ?
C111 C112 H11G 109.5 . . ?
C111 C112 H11H 109.5 . . ?
H11F C112 H11G 109.5 . . ?
H11F C112 H11H 109.5 . . ?
H11G C112 H11H 109.5 . . ?
C52 C58B C61B 108.4(9) . . ?
C59B C58B C52 109.1(10) . . ?
C59B C58B C60B 108.5(11) . . ?
C59B C58B C61B 108.9(11) . . ?
C60B C58B C52 114.5(10) . . ?
C60B C58B C61B 107.3(10) . . ?
C58B C59B H59D 109.5 . . ?
C58B C59B H59E 109.5 . . ?
C58B C59B H59F 109.5 . . ?
H59D C59B H59E 109.5 . . ?
H59D C59B H59F 109.5 . . ?
H59E C59B H59F 109.5 . . ?
C58B C60B H60D 109.5 . . ?
C58B C60B H60E 109.5 . . ?
C58B C60B H60F 109.5 . . ?
H60D C60B H60E 109.5 . . ?
H60D C60B H60F 109.5 . . ?
H60E C60B H60F 109.5 . . ?
C58B C61B H61D 109.5 . . ?
C58B C61B H61E 109.5 . . ?
C58B C61B H61F 109.5 . . ?
H61D C61B H61E 109.5 . . ?
H61D C61B H61F 109.5 . . ?
H61E C61B H61F 109.5 . . ?
O201 P201 O204 110.0(9) . . ?
O201 P201 O205 108.9(7) . . ?
O201 P201 Co1A 118.9(6) . . ?
O204 P201 Co1A 108.5(8) . . ?
O205 P201 O204 106.1(9) . . ?
O205 P201 Co1A 103.7(6) . . ?
O202 P202 O206 92.3(7) . . ?
O202 P202 O207 109.3(9) . . ?
O202 P202 Co1A 117.7(6) . . ?
O206 P202 Co1A 130.5(5) . . ?
O207 P202 O206 89.8(8) . . ?
O207 P202 Co1A 112.7(8) . . ?
O203 P203 O208 109.6(8) . . ?
O203 P203 O209 105.2(8) . . ?
O203 P203 Co1A 117.8(6) . . ?
O208 P203 Co1A 109.0(7) . . ?
O209 P203 O208 100.4(9) . . ?
O209 P203 Co1A 113.3(7) . . ?
P201 O201 Tb1 133.3(7) . . ?
P202 O202 Tb1 137.6(7) . . ?
P203 O203 Tb1 135.1(8) . . ?
C201 O204 P201 119.7(15) . . ?
C203 O205 P201 129.5(11) . . ?
C205 O206 P202 151.2(11) . . ?
C207 O207 P202 121.9(16) . . ?
C209 O208 P203 118.6(13) . . ?
C211 O209 P203 122.8(15) . . ?
O204 C201 H20A 108.4 . . ?
O204 C201 H20B 108.4 . . ?
H20A C201 H20B 107.4 . . ?
C202 C201 O204 115.7(17) . . ?
C202 C201 H20A 108.4 . . ?
C202 C201 H20B 108.4 . . ?
C201 C202 H20C 109.5 . . ?
C201 C202 H20D 109.5 . . ?
C201 C202 H20E 109.5 . . ?
H20C C202 H20D 109.5 . . ?
H20C C202 H20E 109.5 . . ?
H20D C202 H20E 109.5 . . ?
O205 C203 H20F 109.6 . . ?
O205 C203 H20G 109.6 . . ?
O205 C203 C204 110.2(15) . . ?
H20F C203 H20G 108.1 . . ?
C204 C203 H20F 109.6 . . ?
C204 C203 H20G 109.6 . . ?
C203 C204 H20H 109.5 . . ?
C203 C204 H20I 109.5 . . ?
C203 C204 H20J 109.5 . . ?
H20H C204 H20I 109.5 . . ?
H20H C204 H20J 109.5 . . ?
H20I C204 H20J 109.5 . . ?
O206 C205 H20K 110.3 . . ?
O206 C205 H20L 110.3 . . ?
O206 C205 C206 107.0(13) . . ?
H20K C205 H20L 108.6 . . ?
C206 C205 H20K 110.3 . . ?
C206 C205 H20L 110.3 . . ?
C205 C206 H20M 109.5 . . ?
C205 C206 H20N 109.5 . . ?
C205 C206 H20O 109.5 . . ?
H20M C206 H20N 109.5 . . ?
H20M C206 H20O 109.5 . . ?
H20N C206 H20O 109.5 . . ?
O207 C207 H20P 110.0 . . ?
O207 C207 H20Q 110.0 . . ?
O207 C207 C208 108.3(17) . . ?
H20P C207 H20Q 108.4 . . ?
C208 C207 H20P 110.0 . . ?
C208 C207 H20Q 110.0 . . ?
C207 C208 H20R 109.5 . . ?
C207 C208 H20S 109.5 . . ?
C207 C208 H20T 109.5 . . ?
H20R C208 H20S 109.5 . . ?
H20R C208 H20T 109.5 . . ?
H20S C208 H20T 109.5 . . ?
O208 C209 H20U 109.6 . . ?
O208 C209 H20V 109.6 . . ?
O208 C209 C210 110.3(16) . . ?
H20U C209 H20V 108.1 . . ?
C210 C209 H20U 109.6 . . ?
C210 C209 H20V 109.6 . . ?
C209 C210 H21A 109.5 . . ?
C209 C210 H21B 109.5 . . ?
C209 C210 H21C 109.5 . . ?
H21A C210 H21B 109.5 . . ?
H21A C210 H21C 109.5 . . ?
H21B C210 H21C 109.5 . . ?
O209 C211 H21D 109.5 . . ?
O209 C211 H21E 109.5 . . ?
O209 C211 C212 110.5(17) . . ?
H21D C211 H21E 108.1 . . ?
C212 C211 H21D 109.5 . . ?
C212 C211 H21E 109.5 . . ?
C211 C212 H21F 109.5 . . ?
C211 C212 H21G 109.5 . . ?
C211 C212 H21H 109.5 . . ?
H21F C212 H21G 109.5 . . ?
H21F C212 H21H 109.5 . . ?
H21G C212 H21H 109.5 . . ?
N1 Tb2 Tb1 43.39(12) 1_655 1_655 ?
N1 Tb2 N2 59.70(17) 1_655 1_655 ?
N2 Tb2 Tb1 43.38(13) 1_655 1_655 ?
P201 Co1A P202 90.6(3) . . ?
P201 Co1A C224 142.1(6) . . ?
P203 Co1A P201 90.9(5) . . ?
P203 Co1A P202 93.3(5) . . ?
P203 Co1A C224 126.8(8) . . ?
P203 Co1A C225 94.2(5) . . ?
C221 Co1A P201 122.1(11) . . ?
C221 Co1A P202 146.8(11) . . ?
C221 Co1A P203 91.8(5) . . ?
C221 Co1A C223 68.0(4) . . ?
C221 Co1A C224 65.8(4) . . ?
C221 Co1A C225 39.3(3) . . ?
C222 Co1A P201 94.8(8) . . ?
C222 Co1A P202 140.3(6) . . ?
C222 Co1A P203 125.8(7) . . ?
C222 Co1A C221 41.4(3) . . ?
C222 Co1A C223 41.0(3) . . ?
C222 Co1A C224 66.8(4) . . ?
C222 Co1A C225 67.2(3) . . ?
C223 Co1A P201 105.8(7) . . ?
C223 Co1A P202 99.8(7) . . ?
C223 Co1A P203 158.5(5) . . ?
C223 Co1A C224 38.8(3) . . ?
C223 Co1A C225 65.6(4) . . ?
C224 Co1A P202 85.2(7) . . ?
C225 Co1A P201 160.8(9) . . ?
C225 Co1A P202 107.5(10) . . ?
C225 Co1A C224 38.0(3) . . ?
Co1A C221 H221 123.4 . . ?
C222 C221 Co1A 66.8(7) . . ?
C222 C221 H221 126.0 . . ?
C222 C221 C225 108.0 . . ?
C225 C221 Co1A 75.4(7) . . ?
C225 C221 H221 126.0 . . ?
Co1A C222 H222 125.8 . . ?
C221 C222 Co1A 71.7(6) . . ?
C221 C222 H222 125.8 . . ?
C221 C222 C223 108.0 . . ?
C223 C222 Co1A 73.1(7) . . ?
C223 C222 H222 125.8 . . ?
Co1A C223 H223 124.6 . . ?
C222 C223 Co1A 65.8(7) . . ?
C222 C223 H223 126.0 . . ?
C224 C223 Co1A 75.1(7) . . ?
C224 C223 C222 108.0 . . ?
C224 C223 H223 126.0 . . ?
Co1A C224 H224 129.2 . . ?
C223 C224 Co1A 66.1(7) . . ?
C223 C224 H224 126.0 . . ?
C225 C224 Co1A 70.3(6) . . ?
C225 C224 C223 108.0 . . ?
C225 C224 H224 126.0 . . ?
Co1A C225 H225 128.5 . . ?
C221 C225 Co1A 65.3(7) . . ?
C221 C225 H225 126.0 . . ?
C224 C225 Co1A 71.7(6) . . ?
C224 C225 C221 108.0 . . ?
C224 C225 H225 126.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Tb1 N1 C1 C2 148.2(3) . . . . ?
Tb1 N1 C1 C20 -34.6(6) . . . . ?
Tb1 N1 C4 C3 -147.4(3) . . . . ?
Tb1 N1 C4 C5 34.2(6) . . . . ?
Tb1 N2 C6 C5 -25.7(6) . . . . ?
Tb1 N2 C6 C7 157.0(3) . . . . ?
Tb1 N2 C9 C8 -157.1(3) . . . . ?
Tb1 N2 C9 C10 26.1(6) . . . . ?
Tb1 N3 C11 C10 -31.0(7) . . . . ?
Tb1 N3 C11 C12 154.2(4) . . . . ?
Tb1 N3 C14 C13 -154.0(3) . . . . ?
Tb1 N3 C14 C15 30.3(7) . . . . ?
Tb1 N4 C16 C15 -32.6(6) . . . . ?
Tb1 N4 C16 C17 150.2(3) . . . . ?
Tb1 N4 C19 C18 -150.6(3) . . . . ?
Tb1 N4 C19 C20 32.8(6) . . . . ?
Co1 C121 C122 C123 -58.8(4) . . . . ?
Co1 C121 C125 C124 59.3(4) . . . . ?
Co1 C122 C123 C124 -59.9(4) . . . . ?
Co1 C123 C124 C125 -61.2(4) . . . . ?
Co1 C124 C125 C121 -60.8(4) . . . . ?
Co1 P101 O101 Tb1 -29.4(6) . . . . ?
Co1 P101 O104 C101 178.2(6) . . . . ?
Co1 P101 O105 C103 122.5(9) . . . . ?
Co1 P102 O102 Tb1 -30.1(6) . . . . ?
Co1 P102 O106 C105 -85.6(9) . . . . ?
Co1 P102 O107 C107 151.3(13) . . . . ?
Co1 P103 O103 Tb1 -15.4(6) . . . . ?
Co1 P103 O108 C109 -175.4(6) . . . . ?
Co1 P103 O109 C111 99.4(8) . . . . ?
N1 C1 C2 C3 0.8(5) . . . . ?
N1 C1 C20 C19 -1.6(7) . . . . ?
N1 C1 C20 C21 -177.4(4) . . . . ?
N1 C4 C5 C6 3.9(7) . . . . ?
N1 C4 C5 C34 -178.3(4) . . . . ?
N2 C6 C7 C8 0.7(5) . . . . ?
N2 C9 C10 C11 9.2(8) . . . . ?
N2 C9 C10 C23 -174.1(5) . . . . ?
N3 C11 C12 C13 0.8(7) . . . . ?
N3 C14 C15 C16 4.0(8) . . . . ?
N3 C14 C15 C48 -179.5(4) . . . . ?
N4 C16 C17 C18 0.9(5) . . . . ?
N4 C19 C20 C1 2.4(7) . . . . ?
N4 C19 C20 C21 178.2(4) . . . . ?
C1 N1 C4 C3 2.8(5) . . . . ?
C1 N1 C4 C5 -175.5(4) . . . . ?
C1 C2 C3 C4 1.0(5) . . . . ?
C2 C1 C20 C19 175.3(4) . . . . ?
C2 C1 C20 C21 -0.5(6) . . . . ?
C2 C3 C4 N1 -2.4(5) . . . . ?
C2 C3 C4 C5 176.0(4) . . . . ?
C3 C4 C5 C6 -174.2(4) . . . . ?
C3 C4 C5 C34 3.6(6) . . . . ?
C4 N1 C1 C2 -2.2(5) . . . . ?
C4 N1 C1 C20 175.0(4) . . . . ?
C4 C5 C6 N2 -8.7(7) . . . . ?
C4 C5 C6 C7 168.1(4) . . . . ?
C4 C5 C34 C35 -67.6(6) . . . . ?
C4 C5 C34 C39 108.6(5) . . . . ?
C5 C6 C7 C8 -176.6(4) . . . . ?
C5 C34 C35 C36 176.5(4) . . . . ?
C5 C34 C39 C38 -176.0(4) . . . . ?
C6 N2 C9 C8 0.6(5) . . . . ?
C6 N2 C9 C10 -176.2(4) . . . . ?
C6 C5 C34 C35 110.4(5) . . . . ?
C6 C5 C34 C39 -73.4(5) . . . . ?
C6 C7 C8 C9 -0.3(5) . . . . ?
C7 C8 C9 N2 -0.2(5) . . . . ?
C7 C8 C9 C10 176.6(5) . . . . ?
C8 C9 C10 C11 -167.1(5) . . . . ?
C8 C9 C10 C23 9.5(7) . . . . ?
C9 N2 C6 C5 176.5(4) . . . . ?
C9 N2 C6 C7 -0.8(5) . . . . ?
C9 C10 C11 N3 -6.4(8) . . . . ?
C9 C10 C11 C12 167.6(5) . . . . ?
C10 C11 C12 C13 -174.1(5) . . . . ?
C11 N3 C14 C13 1.1(6) . . . . ?
C11 N3 C14 C15 -174.7(5) . . . . ?
C11 C12 C13 C14 -0.1(7) . . . . ?
C12 C13 C14 N3 -0.6(7) . . . . ?
C12 C13 C14 C15 175.2(5) . . . . ?
C13 C14 C15 C16 -171.2(5) . . . . ?
C13 C14 C15 C48 5.3(7) . . . . ?
C14 N3 C11 C10 173.6(5) . . . . ?
C14 N3 C11 C12 -1.1(6) . . . . ?
C14 C15 C16 N4 -2.4(8) . . . . ?
C14 C15 C16 C17 174.4(4) . . . . ?
C14 C15 C48 C49 67.8(6) . . . . ?
C14 C15 C48 C53 -111.9(5) . . . . ?
C15 C16 C17 C18 -176.3(4) . . . . ?
C15 C48 C49 C50 -180.0(4) . . . . ?
C15 C48 C53 C52 -178.5(4) . . . . ?
C16 N4 C19 C18 1.4(5) . . . . ?
C16 N4 C19 C20 -175.2(4) . . . . ?
C16 C15 C48 C49 -115.4(5) . . . . ?
C16 C15 C48 C53 64.9(6) . . . . ?
C16 C17 C18 C19 0.0(5) . . . . ?
C17 C18 C19 N4 -0.9(5) . . . . ?
C17 C18 C19 C20 175.8(4) . . . . ?
C18 C19 C20 C1 -173.7(4) . . . . ?
C18 C19 C20 C21 2.1(6) . . . . ?
C19 N4 C16 C15 175.8(4) . . . . ?
C19 N4 C16 C17 -1.4(5) . . . . ?
C20 C1 C2 C3 -176.5(4) . . . . ?
C23 C10 C11 N3 176.8(5) . . . . ?
C23 C10 C11 C12 -9.1(8) . . . . ?
C24 Si1 C25 C26 52.4(6) . . . . ?
C24 Si1 C25 C27 -70.2(5) . . . . ?
C24 Si1 C28 C29 166.9(5) . . . . ?
C24 Si1 C28 C30 -64.7(5) . . . . ?
C25 Si1 C24 C23 -115(3) . . . . ?
C25 Si1 C28 C29 49.6(6) . . . . ?
C25 Si1 C28 C30 178.0(5) . . . . ?
C28 Si1 C24 C23 127(3) . . . . ?
C28 Si1 C25 C26 169.3(5) . . . . ?
C28 Si1 C25 C27 46.7(6) . . . . ?
C31 Si1 C24 C23 9(3) . . . . ?
C31 Si1 C25 C26 -63.5(6) . . . . ?
C31 Si1 C25 C27 173.9(5) . . . . ?
C31 Si1 C28 C29 -80.3(5) . . . . ?
C31 Si1 C28 C30 48.1(5) . . . . ?
C34 C5 C6 N2 173.5(4) . . . . ?
C34 C5 C6 C7 -9.7(6) . . . . ?
C34 C35 C36 C37 -0.7(7) . . . . ?
C34 C35 C36 C40 -179.1(4) . . . . ?
C35 C34 C39 C38 0.2(7) . . . . ?
C35 C36 C37 C38 0.5(7) . . . . ?
C35 C36 C40 C41 3.3(6) . . . . ?
C35 C36 C40 C42 123.2(5) . . . . ?
C35 C36 C40 C43 -115.9(5) . . . . ?
C36 C37 C38 C39 0.1(7) . . . . ?
C36 C37 C38 C44 -177.4(4) . . . . ?
C37 C36 C40 C41 -175.0(4) . . . . ?
C37 C36 C40 C42 -55.1(6) . . . . ?
C37 C36 C40 C43 65.7(6) . . . . ?
C37 C38 C39 C34 -0.4(7) . . . . ?
C37 C38 C44 C45 56.7(6) . . . . ?
C37 C38 C44 C46 -62.7(6) . . . . ?
C37 C38 C44 C47 176.3(5) . . . . ?
C39 C34 C35 C36 0.4(7) . . . . ?
C39 C38 C44 C45 -120.6(5) . . . . ?
C39 C38 C44 C46 119.9(5) . . . . ?
C39 C38 C44 C47 -1.1(7) . . . . ?
C40 C36 C37 C38 178.9(4) . . . . ?
C44 C38 C39 C34 177.0(4) . . . . ?
C48 C15 C16 N4 -178.9(4) . . . . ?
C48 C15 C16 C17 -2.1(7) . . . . ?
C48 C49 C50 C51 -2.1(7) . . . . ?
C48 C49 C50 C54 -179.7(4) . . . . ?
C49 C48 C53 C52 1.8(7) . . . . ?
C49 C50 C51 C52 3.0(7) . . . . ?
C49 C50 C54 C55 -0.4(7) . . . . ?
C49 C50 C54 C56 -118.7(5) . . . . ?
C49 C50 C54 C57 121.3(6) . . . . ?
C50 C51 C52 C53 -1.4(7) . . . . ?
C50 C51 C52 C58 -178.4(7) . . . . ?
C50 C51 C52 C58B -178.6(8) . . . . ?
C51 C50 C54 C55 -178.0(5) . . . . ?
C51 C50 C54 C56 63.7(6) . . . . ?
C51 C50 C54 C57 -56.2(7) . . . . ?
C51 C52 C53 C48 -1.0(7) . . . . ?
C51 C52 C58 C59 8.5(14) . . . . ?
C51 C52 C58 C60 -114.6(10) . . . . ?
C51 C52 C58 C61 128.3(9) . . . . ?
C51 C52 C58B C59B -52.1(13) . . . . ?
C51 C52 C58B C60B -173.9(8) . . . . ?
C51 C52 C58B C61B 66.3(11) . . . . ?
C53 C48 C49 C50 -0.2(7) . . . . ?
C53 C52 C58 C59 -168.4(9) . . . . ?
C53 C52 C58 C60 68.5(12) . . . . ?
C53 C52 C58 C61 -48.6(12) . . . . ?
C53 C52 C58B C59B 130.9(9) . . . . ?
C53 C52 C58B C60B 9.0(14) . . . . ?
C53 C52 C58B C61B -110.7(9) . . . . ?
C54 C50 C51 C52 -179.4(5) . . . . ?
C58 C52 C53 C48 176.0(7) . . . . ?
C121 C122 C123 Co1 59.9(4) . . . . ?
C121 C122 C123 C124 0.0 . . . . ?
C122 C121 C125 Co1 -59.3(4) . . . . ?
C122 C121 C125 C124 0.0 . . . . ?
C122 C123 C124 Co1 61.2(4) . . . . ?
C122 C123 C124 C125 0.0 . . . . ?
C123 C124 C125 Co1 60.8(4) . . . . ?
C123 C124 C125 C121 0.0 . . . . ?
C125 C121 C122 Co1 58.8(4) . . . . ?
C125 C121 C122 C123 0.0 . . . . ?
P101 O104 C101 C102 113.2(9) . . . . ?
P101 O105 C103 C104 171.1(9) . . . . ?
P102 O106 C105 C106 171.2(11) . . . . ?
P102 O107 C107 C108 128.2(15) . . . . ?
P103 O108 C109 C110 92.3(8) . . . . ?
P103 O109 C111 C112 141.1(11) . . . . ?
O101 P101 O104 C101 -51.6(7) . . . . ?
O101 P101 O105 C103 -10.1(11) . . . . ?
O102 P102 O106 C105 59.0(10) . . . . ?
O102 P102 O107 C107 16.9(16) . . . . ?
O103 P103 O108 C109 -46.4(7) . . . . ?
O103 P103 O109 C111 -34.5(8) . . . . ?
O104 P101 O101 Tb1 -153.4(4) . . . . ?
O104 P101 O105 C103 -123.0(10) . . . . ?
O105 P101 O101 Tb1 99.5(6) . . . . ?
O105 P101 O104 C101 60.1(7) . . . . ?
O106 P102 O102 Tb1 -174.9(5) . . . . ?
O106 P102 O107 C107 -90.3(15) . . . . ?
O107 P102 O102 Tb1 96.5(7) . . . . ?
O107 P102 O106 C105 177.4(10) . . . . ?
O108 P103 O103 Tb1 -136.7(4) . . . . ?
O108 P103 O109 C111 -149.0(8) . . . . ?
O109 P103 O103 Tb1 115.5(4) . . . . ?
O109 P103 O108 C109 67.1(7) . . . . ?
C58B C52 C53 C48 176.2(8) . . . . ?
P201 O204 C201 C202 -143(3) . . . . ?
P201 O205 C203 C204 -173(3) . . . . ?
P202 O206 C205 C206 177(2) . . . . ?
P202 O207 C207 C208 -147(3) . . . . ?
P203 O208 C209 C210 168(3) . . . . ?
P203 O209 C211 C212 145(3) . . . . ?
O201 P201 O204 C201 -33(2) . . . . ?
O201 P201 O205 C203 -1(2) . . . . ?
O202 P202 O206 C205 6(2) . . . . ?
O202 P202 O207 C207 -31(2) . . . . ?
O203 P203 O208 C209 -44(2) . . . . ?
O203 P203 O209 C211 -12(2) . . . . ?
O204 P201 O201 Tb1 -96.7(12) . . . . ?
O204 P201 O205 C203 -119.0(19) . . . . ?
O205 P201 O201 Tb1 147.5(9) . . . . ?
O205 P201 O204 C201 84(2) . . . . ?
O206 P202 O202 Tb1 -116.5(11) . . . . ?
O206 P202 O207 C207 -123(2) . . . . ?
O207 P202 O202 Tb1 152.9(11) . . . . ?
O207 P202 O206 C205 116(2) . . . . ?
O208 P203 O203 Tb1 -91.1(14) . . . . ?
O208 P203 O209 C211 -126(2) . . . . ?
O209 P203 O203 Tb1 161.7(12) . . . . ?
O209 P203 O208 C209 66(2) . . . . ?
Tb2 N1 C1 C2 -119.3(3) 1_455 . . . ?
Tb2 N1 C1 C20 57.9(5) 1_455 . . . ?
Tb2 N1 C4 C3 123.3(3) 1_455 . . . ?
Tb2 N1 C4 C5 -55.1(5) 1_455 . . . ?
Tb2 N2 C6 C5 61.7(5) 1_455 . . . ?
Tb2 N2 C6 C7 -115.5(3) 1_455 . . . ?
Tb2 N2 C9 C8 112.2(4) 1_455 . . . ?
Tb2 N2 C9 C10 -64.5(5) 1_455 . . . ?
Co1A P201 O201 Tb1 29.1(12) . . . . ?
Co1A P201 O204 C201 -164.9(19) . . . . ?
Co1A P201 O205 C203 126.8(17) . . . . ?
Co1A P202 O202 Tb1 22.6(14) . . . . ?
Co1A P202 O206 C205 -124(2) . . . . ?
Co1A P202 O207 C207 102(2) . . . . ?
Co1A P203 O203 Tb1 34.2(17) . . . . ?
Co1A P203 O208 C209 -174.5(19) . . . . ?
Co1A P203 O209 C211 118(2) . . . . ?
Co1A C221 C222 C223 -64.6(7) . . . . ?
Co1A C221 C225 C224 59.2(6) . . . . ?
Co1A C222 C223 C224 -63.7(7) . . . . ?
Co1A C223 C224 C225 -57.8(5) . . . . ?
Co1A C224 C225 C221 -55.3(7) . . . . ?
C221 C222 C223 Co1A 63.7(7) . . . . ?
C221 C222 C223 C224 0.0 . . . . ?
C222 C221 C225 Co1A -59.2(6) . . . . ?
C222 C221 C225 C224 0.0 . . . . ?
C222 C223 C224 Co1A 57.8(5) . . . . ?
C222 C223 C224 C225 0.0 . . . . ?
C223 C224 C225 Co1A 55.3(7) . . . . ?
C223 C224 C225 C221 0.0 . . . . ?
C225 C221 C222 Co1A 64.6(7) . . . . ?
C225 C221 C222 C223 0.0 . . . . ?

_olex2_diffrn_ambient_temperature_device 'Oxford Cryosystems'
_olex2_exptl_crystal_mounting_method 
'The crystal was mounted on a MITIGEN holder in perfluoroether oil'
_olex2_submission_original_sample_id Tb-Por-dimer
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.764
_oxdiff_exptl_absorpt_empirical_full_min 0.694

_vrf_PLAT307_P2Tb2               
;
PROBLEM: Isolated Metal Atom found in Structure (Unusual)        Tb2 Check 
RESPONSE: 
 The metal atoms are disordered over 2 positions. Due to the small percentage it
 was not possible to accurately model the disordered ligands surrounding Tb2.
 The Co disordered atoms do have connectivity to other atoms as mentioned in the
 bond tables.
 
;


####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_P2Dy2
_database_code_depnum_ccdc_archive 'CCDC 1565182'
_audit_update_record             
;
2017-07-27 deposited with the CCDC.
2018-10-18 downloaded from the CCDC.
;
_audit_creation_date             2017-07-27
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2017.07.04 svn.r3439 for OlexSys, GUI svn.r5361)
;
#2016ncs0561
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C156 H212 Co2 Dy2 N8 O18 P6 Si2'
_chemical_formula_sum            'C156 H212 Co2 Dy2 N8 O18 P6 Si2'
_chemical_formula_weight         3172.18
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C156 H212 Co2 Dy2 N8 O18 P6 Si2'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.25340(18)
_cell_length_b                   14.6267(3)
_cell_length_c                   27.8407(5)
_cell_angle_alpha                75.0624(16)
_cell_angle_beta                 86.2571(15)
_cell_angle_gamma                71.1737(16)
_cell_volume                     3817.71(13)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    35387
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.6060
_cell_measurement_theta_min      2.1370
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.325
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.90047
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.380
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1652
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.005
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0415
_diffrn_reflns_av_unetI/netI     0.0335
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            80838
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_min         2.166
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_detector_type            'Rigaku HG Saturn724+ (2x2 bin mode)'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -35.00  73.00   0.50   20.00    --  -17.00  72.00-120.00  216
  2  ω    -69.00  22.00   0.50   20.00    --  -17.00 -72.00 120.00  182
  3  ω    -69.00  22.00   0.50   20.00    --  -17.00 -72.00 -60.00  182
  4  ω    -87.00 -21.00   0.50   20.00    --  -17.00   0.00 120.00  132
  5  ω    -35.00 -13.00   0.50   20.00    --  -17.00  54.00  90.00   44
  6  ω    -52.00  73.00   0.50   20.00    --  -17.00  36.00  90.00  250
  7  ω   -107.00  10.00   0.50   20.00    --  -17.00 -72.00 -30.00  234
  8  ω    -35.00  49.00   0.50   20.00    --  -17.00  54.00-180.00  168
  9  ω    -59.00  22.00   0.50   20.00    --  -17.00 -72.00  90.00  162
 10  ω    -32.00  20.00   0.50   20.00    --  -17.00  72.00-150.00  104
 11  ω    -54.00 -13.00   0.50   20.00    --  -17.00 -72.00 -90.00   82
 12  ω    -56.00  16.00   0.50   20.00    --  -17.00  72.00  60.00  144
;
_diffrn_measurement_device       'four-circle κ goniometer'
_diffrn_measurement_device_type  Kat
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support 'MiTeGen MicroLoop'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0022116000
_diffrn_orient_matrix_UB_12      -0.0017054000
_diffrn_orient_matrix_UB_13      0.0256328000
_diffrn_orient_matrix_UB_21      -0.0427674000
_diffrn_orient_matrix_UB_22      -0.0308819000
_diffrn_orient_matrix_UB_23      0.0051712000
_diffrn_orient_matrix_UB_31      0.0592446000
_diffrn_orient_matrix_UB_32      -0.0429506000
_diffrn_orient_matrix_UB_33      0.0034180000
_diffrn_radiation_collimation    0.2
_diffrn_radiation_monochromator  'Confocal mirrors, HF Varimax'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_xray_symbol    K-L~3~
_diffrn_source                   'Rotating Anode'
_diffrn_source_current           55.0
_diffrn_source_power             2.475
_diffrn_source_target            Mo
_diffrn_source_type              'Rigaku FRE+'
_diffrn_source_voltage           45.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                15823
_reflns_number_total             17496
_reflns_odcompleteness_completeness 99.91
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.42
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_collection       'CrystalClear-SM Expert 3.1 b27 (Rigaku, 2013)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.818
_refine_diff_density_min         -1.070
_refine_diff_density_rms         0.101
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1052
_refine_ls_number_reflns         17496
_refine_ls_number_restraints     1033
_refine_ls_R_factor_all          0.0575
_refine_ls_R_factor_gt           0.0499
_refine_ls_restrained_S_all      1.105
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0330P)²+14.0203P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1096
_refine_ls_wR_factor_ref         0.1126
_refine_special_details          
'There is disorder of the cobalt-phosphine part of the complex, along with one t-butyl side arm. As such various geometrical (SAME/SADI) and displacement (RIGU) restraints have been employed. There appeared to be additional disorder of the cp rings but it was not possible to accurately model this so were geometrically constrained. Due to the above the cp ring atoms along with the lesser component carbon and oxygen atoms of the cobalt-phosphine complex part were left isotropic. Finally it appears that around 3percent of the structure has the whole complex pointing in the opposite direction. Although it was possible to locate the Dy atom, it just was not possible to model the rest and thus only the Dy atom disorder is shown.'
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C50-C54 \\sim C50-C54A
 with sigma of 0.02
 Co2-C221 \\sim Co2-C222 \\sim Co2-C223 \\sim Co2-C224 \\sim Co2-C225 \\sim
Co1-C121 \\sim Co1-C122
 with sigma of 0.02
 Co1-C121 \\sim Co1-C122 \\sim Co1-C123 \\sim Co1-C124 \\sim Co1-C125
 with sigma of 0.02
3. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4. Same fragment restrains
{C54, C55, C56, C57} sigma for 1-2: 0.02, 1-3: 0.04
as
{C54A, C55A, C56A, C57A}
{Co1, P101, P102, P103, O101, O102, O103, O104, O105, O106, O107, O108, O109,
C101, C102, C103, C104, C105, C106, C107, C108, C109, C110, C111, C112} sigma
for 1-2: 0.02, 1-3: 0.04
as
{Co2, P201, P202, P203, O201, O202, O203, O204, O205, O206, O207, O208, O209,
C201, C202, C203, C204, C205, C206, C207, C208, C209, C210, C211, C212}
5. Others
 Sof(Co2)=Sof(P201)=Sof(P202)=Sof(P203)=Sof(O201)=Sof(O202)=Sof(O203)=
 Sof(O204)=Sof(O205)=Sof(O206)=Sof(O207)=Sof(O208)=Sof(O209)=Sof(C201)=
 Sof(H20A)=Sof(H20B)=Sof(C202)=Sof(H20C)=Sof(H20D)=Sof(H20E)=Sof(C203)=
 Sof(H20F)=Sof(H20G)=Sof(C204)=Sof(H20H)=Sof(H20I)=Sof(H20J)=Sof(C205)=
 Sof(H20K)=Sof(H20L)=Sof(C206)=Sof(H20M)=Sof(H20N)=Sof(H20O)=Sof(C207)=
 Sof(H20P)=Sof(H20Q)=Sof(C208)=Sof(H20R)=Sof(H20S)=Sof(H20T)=Sof(C209)=
 Sof(H20U)=Sof(H20V)=Sof(C210)=Sof(H21A)=Sof(H21B)=Sof(H21C)=Sof(C211)=
 Sof(H21D)=Sof(H21E)=Sof(C212)=Sof(H21F)=Sof(H21G)=Sof(H21H)=Sof(C221)=
 Sof(H221)=Sof(C222)=Sof(H222)=Sof(C223)=Sof(H223)=Sof(C224)=Sof(H224)=
 Sof(C225)=Sof(H225)=1-FVAR(1)
 Sof(Co1)=Sof(P101)=Sof(P102)=Sof(P103)=Sof(O101)=Sof(O102)=Sof(O103)=
 Sof(O104)=Sof(O105)=Sof(O106)=Sof(O107)=Sof(O108)=Sof(O109)=Sof(C101)=
 Sof(H10A)=Sof(H10B)=Sof(C102)=Sof(H10C)=Sof(H10D)=Sof(H10E)=Sof(C103)=
 Sof(H10F)=Sof(H10G)=Sof(C104)=Sof(H10H)=Sof(H10I)=Sof(H10J)=Sof(C105)=
 Sof(H10K)=Sof(H10L)=Sof(C106)=Sof(H10M)=Sof(H10N)=Sof(H10O)=Sof(C107)=
 Sof(H10P)=Sof(H10Q)=Sof(C108)=Sof(H10R)=Sof(H10S)=Sof(H10T)=Sof(C109)=
 Sof(H10U)=Sof(H10V)=Sof(C110)=Sof(H11A)=Sof(H11B)=Sof(H11C)=Sof(C111)=
 Sof(H11D)=Sof(H11E)=Sof(C112)=Sof(H11F)=Sof(H11G)=Sof(H11H)=Sof(C121)=
 Sof(H121)=Sof(C122)=Sof(H122)=Sof(C123)=Sof(H123)=Sof(C124)=Sof(H124)=
 Sof(C125)=Sof(H125)=FVAR(1)
 Sof(C54A)=Sof(C55A)=Sof(H55D)=Sof(H55E)=Sof(H55F)=Sof(C56A)=Sof(H56D)=
 Sof(H56E)=Sof(H56F)=Sof(C57A)=Sof(H57D)=Sof(H57E)=Sof(H57F)=1-FVAR(2)
 Sof(C54)=Sof(C55)=Sof(H55A)=Sof(H55B)=Sof(H55C)=Sof(C56)=Sof(H56A)=Sof(H56B)=
 Sof(H56C)=Sof(C57)=Sof(H57A)=Sof(H57B)=Sof(H57C)=FVAR(2)
 Sof(Dy1A)=1-FVAR(3)
 Sof(Dy1)=FVAR(3)
6.a Ternary CH refined with riding coordinates:
 C25(H25), C28(H28), C31(H31)
6.b Secondary CH2 refined with riding coordinates:
 C101(H10A,H10B), C103(H10F,H10G), C105(H10K,H10L), C107(H10P,H10Q), C109(H10U,
 H10V), C111(H11D,H11E), C201(H20A,H20B), C203(H20F,H20G), C205(H20K,H20L),
 C207(H20P,H20Q), C209(H20U,H20V), C211(H21D,H21E)
6.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C7(H7), C8(H8), C12(H12), C13(H13), C17(H17), C18(H18),
 C35(H35), C37(H37), C39(H39), C49(H49), C51(H51), C53(H53), C121(H121),
 C122(H122), C123(H123), C124(H124), C125(H125), C221(H221), C222(H222),
 C223(H223), C224(H224), C225(H225)
6.d Fitted pentagon refined as free rotating group:
 C121(C122,C123,C124,C125), C221(C222,C223,C224,C225)
6.e Idealised Me refined as rotating group:
 C26(H26A,H26B,H26C), C27(H27A,H27B,H27C), C29(H29A,H29B,H29C), C30(H30A,H30B,
 H30C), C32(H32A,H32B,H32C), C33(H33A,H33B,H33C), C41(H41A,H41B,H41C), C42(H42A,
 H42B,H42C), C43(H43A,H43B,H43C), C45(H45A,H45B,H45C), C46(H46A,H46B,H46C),
 C47(H47A,H47B,H47C), C59(H59A,H59B,H59C), C60(H60A,H60B,H60C), C61(H61A,H61B,
 H61C), C55(H55A,H55B,H55C), C56(H56A,H56B,H56C), C57(H57A,H57B,H57C),
 C55A(H55D,H55E,H55F), C56A(H56D,H56E,H56F), C57A(H57D,H57E,H57F), C102(H10C,
 H10D,H10E), C104(H10H,H10I,H10J), C106(H10M,H10N,H10O), C108(H10R,H10S,H10T),
 C110(H11A,H11B,H11C), C112(H11F,H11G,H11H), C202(H20C,H20D,H20E), C204(H20H,
 H20I,H20J), C206(H20M,H20N,H20O), C208(H20R,H20S,H20T), C210(H21A,H21B,H21C),
 C212(H21F,H21G,H21H)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.30252(2) 0.65802(2) 0.21743(2) 0.01849(5) Uani 0.9692(8) 1 d . U P B .
Si1 Si 0.28360(15) 0.30693(9) 0.48835(4) 0.0369(3) Uani 1 1 d . U . . .
N1 N 0.1938(3) 0.6505(2) 0.14580(11) 0.0205(6) Uani 1 1 d . U . . .
N2 N 0.2516(3) 0.5040(2) 0.24115(11) 0.0228(6) Uani 1 1 d . U . . .
N3 N 0.1736(3) 0.6649(2) 0.29158(11) 0.0237(6) Uani 1 1 d . U . . .
N4 N 0.1136(3) 0.8110(2) 0.19666(11) 0.0215(6) Uani 1 1 d . U . . .
C1 C 0.1532(4) 0.7289(3) 0.10499(13) 0.0208(7) Uani 1 1 d . U . . .
C2 C 0.1631(4) 0.6937(3) 0.06105(13) 0.0232(7) Uani 1 1 d . U . . .
H2 H 0.1423 0.7336 0.0280 0.028 Uiso 1 1 calc R . . . .
C3 C 0.2076(4) 0.5931(3) 0.07550(14) 0.0231(7) Uani 1 1 d . U . . .
H3 H 0.2247 0.5487 0.0545 0.028 Uiso 1 1 calc R . . . .
C4 C 0.2240(4) 0.5660(3) 0.12866(14) 0.0223(7) Uani 1 1 d . U . . .
C5 C 0.2610(4) 0.4677(3) 0.15887(14) 0.0221(7) Uani 1 1 d . U . . .
C6 C 0.2660(4) 0.4407(3) 0.21079(14) 0.0228(7) Uani 1 1 d . U . . .
C7 C 0.2786(4) 0.3414(3) 0.24101(15) 0.0259(8) Uani 1 1 d . U . . .
H7 H 0.2895 0.2839 0.2293 0.031 Uiso 1 1 calc R . . . .
C8 C 0.2721(4) 0.3462(3) 0.28862(15) 0.0283(8) Uani 1 1 d . U . . .
H8 H 0.2784 0.2924 0.3171 0.034 Uiso 1 1 calc R . . . .
C9 C 0.2538(4) 0.4483(3) 0.28853(14) 0.0251(7) Uani 1 1 d . U . . .
C10 C 0.2352(4) 0.4845(3) 0.33145(14) 0.0287(8) Uani 1 1 d . U . . .
C11 C 0.1916(4) 0.5860(3) 0.33228(14) 0.0287(8) Uani 1 1 d . U . . .
C12 C 0.1473(5) 0.6213(3) 0.37619(15) 0.0379(10) Uani 1 1 d . U . . .
H12 H 0.1506 0.5815 0.4093 0.046 Uiso 1 1 calc R . . . .
C13 C 0.1003(5) 0.7216(3) 0.36140(15) 0.0369(10) Uani 1 1 d . U . . .
H13 H 0.0638 0.7661 0.3821 0.044 Uiso 1 1 calc R . . . .
C14 C 0.1159(4) 0.7488(3) 0.30846(14) 0.0266(8) Uani 1 1 d . U . . .
C15 C 0.0705(4) 0.8470(3) 0.27867(14) 0.0246(7) Uani 1 1 d . U . . .
C16 C 0.0671(4) 0.8750(3) 0.22673(14) 0.0230(7) Uani 1 1 d . U . . .
C17 C 0.0086(4) 0.9754(3) 0.19659(14) 0.0235(7) Uani 1 1 d . U . . .
H17 H -0.0292 1.0340 0.2082 0.028 Uiso 1 1 calc R . . . .
C18 C 0.0181(4) 0.9701(3) 0.14890(14) 0.0234(7) Uani 1 1 d . U . . .
H18 H -0.0123 1.0243 0.1205 0.028 Uiso 1 1 calc R . . . .
C19 C 0.0825(4) 0.8673(3) 0.14903(13) 0.0219(7) Uani 1 1 d . U . . .
C20 C 0.1026(4) 0.8305(3) 0.10636(13) 0.0216(7) Uani 1 1 d . U . . .
C21 C 0.0599(4) 0.9021(3) 0.06012(14) 0.0234(7) Uani 1 1 d . U . . .
C22 C 0.0213(4) 0.9644(3) 0.02180(14) 0.0242(7) Uani 1 1 d . U . . .
C23 C 0.2538(5) 0.4147(3) 0.37928(15) 0.0328(9) Uani 1 1 d . U . . .
C24 C 0.2684(5) 0.3627(3) 0.42085(16) 0.0362(10) Uani 1 1 d . U . . .
C25 C 0.4663(6) 0.2269(4) 0.50357(19) 0.0489(12) Uani 1 1 d . U . . .
H25 H 0.4770 0.2036 0.5406 0.059 Uiso 1 1 calc R . . . .
C26 C 0.5724(7) 0.2798(5) 0.4842(3) 0.0659(16) Uani 1 1 d . U . . .
H26A H 0.5562 0.3107 0.4485 0.099 Uiso 1 1 calc GR . . . .
H26B H 0.6652 0.2312 0.4898 0.099 Uiso 1 1 calc GR . . . .
H26C H 0.5638 0.3314 0.5018 0.099 Uiso 1 1 calc GR . . . .
C27 C 0.4973(7) 0.1348(4) 0.4830(3) 0.0653(16) Uani 1 1 d . U . . .
H27A H 0.4397 0.0943 0.4996 0.098 Uiso 1 1 calc GR . . . .
H27B H 0.5947 0.0952 0.4891 0.098 Uiso 1 1 calc GR . . . .
H27C H 0.4772 0.1559 0.4472 0.098 Uiso 1 1 calc GR . . . .
C28 C 0.1683(6) 0.2265(3) 0.50389(17) 0.0431(11) Uani 1 1 d . U . . .
H28 H 0.1925 0.1824 0.4803 0.052 Uiso 1 1 calc R . . . .
C29 C 0.0163(6) 0.2866(4) 0.4941(2) 0.0526(13) Uani 1 1 d . U . . .
H29A H -0.0140 0.3294 0.5173 0.079 Uiso 1 1 calc GR . . . .
H29B H -0.0382 0.2410 0.4989 0.079 Uiso 1 1 calc GR . . . .
H29C H 0.0034 0.3281 0.4599 0.079 Uiso 1 1 calc GR . . . .
C30 C 0.1922(7) 0.1562(4) 0.5564(2) 0.0563(14) Uani 1 1 d . U . . .
H30A H 0.2903 0.1178 0.5615 0.085 Uiso 1 1 calc GR . . . .
H30B H 0.1383 0.1104 0.5600 0.085 Uiso 1 1 calc GR . . . .
H30C H 0.1632 0.1955 0.5811 0.085 Uiso 1 1 calc GR . . . .
C31 C 0.2184(6) 0.4190(3) 0.51583(18) 0.0418(11) Uani 1 1 d . U . . .
H31 H 0.1297 0.4614 0.4977 0.050 Uiso 1 1 calc R . . . .
C32 C 0.3120(6) 0.4851(4) 0.5059(2) 0.0493(12) Uani 1 1 d . U . . .
H32A H 0.3949 0.4519 0.5272 0.074 Uiso 1 1 calc GR . . . .
H32B H 0.2624 0.5493 0.5133 0.074 Uiso 1 1 calc GR . . . .
H32C H 0.3384 0.4963 0.4710 0.074 Uiso 1 1 calc GR . . . .
C33 C 0.1824(6) 0.3959(4) 0.57081(19) 0.0544(13) Uani 1 1 d . U . . .
H33A H 0.1092 0.3650 0.5755 0.082 Uiso 1 1 calc GR . . . .
H33B H 0.1507 0.4578 0.5818 0.082 Uiso 1 1 calc GR . . . .
H33C H 0.2643 0.3499 0.5904 0.082 Uiso 1 1 calc GR . . . .
C34 C 0.2946(4) 0.3860(3) 0.13251(14) 0.0233(7) Uani 1 1 d . U . . .
C35 C 0.4306(4) 0.3257(3) 0.13195(14) 0.0242(7) Uani 1 1 d . U . . .
H35 H 0.4993 0.3342 0.1501 0.029 Uiso 1 1 calc R . . . .
C36 C 0.4676(4) 0.2530(3) 0.10523(15) 0.0257(8) Uani 1 1 d . U . . .
C37 C 0.3634(4) 0.2416(3) 0.08014(15) 0.0263(8) Uani 1 1 d . U . . .
H37 H 0.3868 0.1915 0.0623 0.032 Uiso 1 1 calc R . . . .
C38 C 0.2261(4) 0.3004(3) 0.08005(14) 0.0244(7) Uani 1 1 d . U . . .
C39 C 0.1932(4) 0.3726(3) 0.10671(14) 0.0237(7) Uani 1 1 d . U . . .
H39 H 0.1002 0.4134 0.1074 0.028 Uiso 1 1 calc R . . . .
C40 C 0.6174(4) 0.1890(3) 0.10187(16) 0.0293(8) Uani 1 1 d . U . . .
C41 C 0.6322(5) 0.0794(3) 0.1239(2) 0.0404(11) Uani 1 1 d . U . . .
H41A H 0.6113 0.0686 0.1594 0.061 Uiso 1 1 calc GR . . . .
H41B H 0.7268 0.0384 0.1197 0.061 Uiso 1 1 calc GR . . . .
H41C H 0.5680 0.0607 0.1068 0.061 Uiso 1 1 calc GR . . . .
C42 C 0.7163(4) 0.2166(3) 0.1293(2) 0.0454(12) Uani 1 1 d . U . . .
H42A H 0.7049 0.2878 0.1165 0.068 Uiso 1 1 calc GR . . . .
H42B H 0.8112 0.1773 0.1242 0.068 Uiso 1 1 calc GR . . . .
H42C H 0.6968 0.2026 0.1649 0.068 Uiso 1 1 calc GR . . . .
C43 C 0.6582(5) 0.2047(4) 0.0473(2) 0.0549(14) Uani 1 1 d . U . . .
H43A H 0.5981 0.1849 0.0289 0.082 Uiso 1 1 calc GR . . . .
H43B H 0.7542 0.1641 0.0449 0.082 Uiso 1 1 calc GR . . . .
H43C H 0.6486 0.2753 0.0331 0.082 Uiso 1 1 calc GR . . . .
C44 C 0.1174(4) 0.2846(3) 0.05057(16) 0.0295(8) Uani 1 1 d . U . . .
C45 C 0.1054(5) 0.1817(3) 0.0732(2) 0.0497(13) Uani 1 1 d . U . . .
H45A H 0.1948 0.1311 0.0720 0.075 Uiso 1 1 calc GR . . . .
H45B H 0.0365 0.1709 0.0544 0.075 Uiso 1 1 calc GR . . . .
H45C H 0.0772 0.1765 0.1079 0.075 Uiso 1 1 calc GR . . . .
C46 C -0.0245(4) 0.3610(3) 0.05195(17) 0.0354(9) Uani 1 1 d . U . . .
H46A H -0.0537 0.3558 0.0865 0.053 Uiso 1 1 calc GR . . . .
H46B H -0.0911 0.3481 0.0331 0.053 Uiso 1 1 calc GR . . . .
H46C H -0.0197 0.4283 0.0371 0.053 Uiso 1 1 calc GR . . . .
C47 C 0.1588(5) 0.2949(5) -0.00345(19) 0.0533(14) Uani 1 1 d . U . . .
H47A H 0.1695 0.3608 -0.0172 0.080 Uiso 1 1 calc GR . . . .
H47B H 0.0873 0.2875 -0.0224 0.080 Uiso 1 1 calc GR . . . .
H47C H 0.2464 0.2431 -0.0055 0.080 Uiso 1 1 calc GR . . . .
C48 C 0.0115(4) 0.9281(3) 0.30517(14) 0.0249(7) Uani 1 1 d . U . . .
C49 C -0.1274(4) 0.9824(3) 0.30018(14) 0.0284(8) Uani 1 1 d . U . . .
H49 H -0.1858 0.9663 0.2808 0.034 Uiso 1 1 calc R . . . .
C50 C -0.1828(4) 1.0605(3) 0.32320(15) 0.0294(8) Uani 1 1 d D U . . .
C51 C -0.0943(4) 1.0802(3) 0.35195(15) 0.0300(8) Uani 1 1 d . U . . .
H51 H -0.1297 1.1334 0.3677 0.036 Uiso 1 1 calc R . . . .
C52 C 0.0438(4) 1.0247(3) 0.35835(15) 0.0283(8) Uani 1 1 d . U . . .
C53 C 0.0970(4) 0.9490(3) 0.33430(14) 0.0276(8) Uani 1 1 d . U . . .
H53 H 0.1922 0.9115 0.3378 0.033 Uiso 1 1 calc R . . . .
C58 C 0.1358(5) 1.0509(3) 0.39168(16) 0.0361(9) Uani 1 1 d . U . . .
C59 C 0.1289(7) 1.1583(4) 0.3722(2) 0.0564(15) Uani 1 1 d . U . . .
H59A H 0.1574 1.1698 0.3375 0.085 Uiso 1 1 calc GR . . . .
H59B H 0.1906 1.1736 0.3922 0.085 Uiso 1 1 calc GR . . . .
H59C H 0.0343 1.2015 0.3743 0.085 Uiso 1 1 calc GR . . . .
C60 C 0.0828(6) 1.0328(4) 0.44461(18) 0.0525(13) Uani 1 1 d . U . . .
H60A H -0.0119 1.0772 0.4451 0.079 Uiso 1 1 calc GR . . . .
H60B H 0.1417 1.0465 0.4664 0.079 Uiso 1 1 calc GR . . . .
H60C H 0.0845 0.9632 0.4563 0.079 Uiso 1 1 calc GR . . . .
C61 C 0.2854(6) 0.9853(5) 0.3937(2) 0.0632(16) Uani 1 1 d . U . . .
H61A H 0.2909 0.9152 0.4067 0.095 Uiso 1 1 calc GR . . . .
H61B H 0.3388 1.0036 0.4154 0.095 Uiso 1 1 calc GR . . . .
H61C H 0.3231 0.9948 0.3601 0.095 Uiso 1 1 calc GR . . . .
C54 C -0.3340(11) 1.1236(9) 0.3154(5) 0.033(3) Uani 0.508(7) 1 d D U P A 1
C55 C -0.4187(9) 1.0841(7) 0.2876(4) 0.041(2) Uani 0.508(7) 1 d D U P A 1
H55A H -0.3868 1.0888 0.2533 0.062 Uiso 0.508(7) 1 calc GR . P A 1
H55B H -0.5162 1.1239 0.2872 0.062 Uiso 0.508(7) 1 calc GR . P A 1
H55C H -0.4077 1.0143 0.3043 0.062 Uiso 0.508(7) 1 calc GR . P A 1
C56 C -0.3407(9) 1.2282(6) 0.2842(3) 0.039(2) Uani 0.508(7) 1 d D U P A 1
H56A H -0.2866 1.2558 0.3009 0.059 Uiso 0.508(7) 1 calc GR . P A 1
H56B H -0.4368 1.2716 0.2806 0.059 Uiso 0.508(7) 1 calc GR . P A 1
H56C H -0.3030 1.2240 0.2513 0.059 Uiso 0.508(7) 1 calc GR . P A 1
C57 C -0.3998(10) 1.1302(8) 0.3654(3) 0.045(2) Uani 0.508(7) 1 d D U P A 1
H57A H -0.3959 1.0633 0.3850 0.068 Uiso 0.508(7) 1 calc GR . P A 1
H57B H -0.4962 1.1728 0.3602 0.068 Uiso 0.508(7) 1 calc GR . P A 1
H57C H -0.3499 1.1588 0.3831 0.068 Uiso 0.508(7) 1 calc GR . P A 1
C54A C -0.3337(11) 1.1239(10) 0.3160(5) 0.036(3) Uani 0.492(7) 1 d D U P A 2
C55A C -0.3683(10) 1.1582(7) 0.2606(3) 0.041(2) Uani 0.492(7) 1 d D U P A 2
H55D H -0.3061 1.1941 0.2433 0.062 Uiso 0.492(7) 1 calc GR . P A 2
H55E H -0.4638 1.2025 0.2551 0.062 Uiso 0.492(7) 1 calc GR . P A 2
H55F H -0.3573 1.0999 0.2476 0.062 Uiso 0.492(7) 1 calc GR . P A 2
C56A C -0.3673(11) 1.2183(8) 0.3348(4) 0.050(3) Uani 0.492(7) 1 d D U P A 2
H56D H -0.3443 1.1997 0.3704 0.075 Uiso 0.492(7) 1 calc GR . P A 2
H56E H -0.4658 1.2554 0.3295 0.075 Uiso 0.492(7) 1 calc GR . P A 2
H56F H -0.3134 1.2602 0.3166 0.075 Uiso 0.492(7) 1 calc GR . P A 2
C57A C -0.4233(11) 1.0614(8) 0.3411(4) 0.053(3) Uani 0.492(7) 1 d D U P A 2
H57D H -0.4004 1.0012 0.3287 0.080 Uiso 0.492(7) 1 calc GR . P A 2
H57E H -0.5205 1.1002 0.3336 0.080 Uiso 0.492(7) 1 calc GR . P A 2
H57F H -0.4068 1.0423 0.3771 0.080 Uiso 0.492(7) 1 calc GR . P A 2
Co1 Co 0.7019(2) 0.68917(15) 0.20853(8) 0.0347(4) Uani 0.6804(19) 1 d D U P B 1
P101 P 0.56738(16) 0.72036(12) 0.14537(7) 0.0328(4) Uani 0.6804(19) 1 d D U P B
1
P102 P 0.65785(19) 0.55227(13) 0.24300(11) 0.0597(7) Uani 0.6804(19) 1 d D U P
B 1
P103 P 0.53624(15) 0.76846(12) 0.24895(7) 0.0308(4) Uani 0.6804(19) 1 d D U P B
1
O101 O 0.4179(4) 0.7290(3) 0.15363(15) 0.0267(8) Uani 0.6804(19) 1 d D U P B 1
O102 O 0.5209(4) 0.5445(3) 0.23288(15) 0.0274(9) Uani 0.6804(19) 1 d D U P B 1
O103 O 0.4040(4) 0.7434(3) 0.25450(15) 0.0278(9) Uani 0.6804(19) 1 d D U P B 1
O104 O 0.5739(6) 0.8213(4) 0.10682(19) 0.0413(12) Uani 0.6804(19) 1 d D U P B 1
O105 O 0.6280(5) 0.6443(5) 0.1115(2) 0.0466(16) Uani 0.6804(19) 1 d D U P B 1
O106 O 0.7731(6) 0.4515(5) 0.2455(3) 0.0708(17) Uani 0.6804(19) 1 d D U P B 1
O107 O 0.6736(7) 0.5393(4) 0.3041(2) 0.0650(17) Uani 0.6804(19) 1 d D U P B 1
O108 O 0.5986(5) 0.7515(5) 0.3037(2) 0.0419(11) Uani 0.6804(19) 1 d D U P B 1
O109 O 0.4982(4) 0.8881(3) 0.22964(19) 0.0345(10) Uani 0.6804(19) 1 d D U P B 1
C101 C 0.4957(10) 0.8513(6) 0.0622(3) 0.0445(18) Uani 0.6804(19) 1 d D U P B 1
H10A H 0.4553 0.7989 0.0610 0.053 Uiso 0.6804(19) 1 calc R . P B 1
H10B H 0.5577 0.8576 0.0336 0.053 Uiso 0.6804(19) 1 calc R . P B 1
C102 C 0.3816(9) 0.9489(7) 0.0572(4) 0.062(2) Uani 0.6804(19) 1 d D U P B 1
H10C H 0.3314 0.9661 0.0257 0.093 Uiso 0.6804(19) 1 calc GR . P B 1
H10D H 0.4210 1.0014 0.0578 0.093 Uiso 0.6804(19) 1 calc GR . P B 1
H10E H 0.3183 0.9426 0.0849 0.093 Uiso 0.6804(19) 1 calc GR . P B 1
C103 C 0.5451(8) 0.5869(7) 0.1003(5) 0.055(2) Uani 0.6804(19) 1 d D U P B 1
H10F H 0.5336 0.5383 0.1311 0.066 Uiso 0.6804(19) 1 calc R . P B 1
H10G H 0.4525 0.6326 0.0881 0.066 Uiso 0.6804(19) 1 calc R . P B 1
C104 C 0.6108(8) 0.5337(6) 0.0627(4) 0.050(2) Uani 0.6804(19) 1 d D U P B 1
H10H H 0.6059 0.5818 0.0305 0.074 Uiso 0.6804(19) 1 calc GR . P B 1
H10I H 0.5629 0.4869 0.0602 0.074 Uiso 0.6804(19) 1 calc GR . P B 1
H10J H 0.7075 0.4968 0.0723 0.074 Uiso 0.6804(19) 1 calc GR . P B 1
C105 C 0.7866(9) 0.4147(8) 0.2032(4) 0.057(2) Uani 0.6804(19) 1 d D U P B 1
H10K H 0.8008 0.4643 0.1733 0.069 Uiso 0.6804(19) 1 calc R . P B 1
H10L H 0.7035 0.3979 0.1977 0.069 Uiso 0.6804(19) 1 calc R . P B 1
C106 C 0.9133(18) 0.3209(14) 0.2144(9) 0.088(8) Uani 0.6804(19) 1 d D U P B 1
H10M H 0.8993 0.2704 0.1998 0.133 Uiso 0.6804(19) 1 calc GR . P B 1
H10N H 0.9268 0.2944 0.2504 0.133 Uiso 0.6804(19) 1 calc GR . P B 1
H10O H 0.9949 0.3378 0.2000 0.133 Uiso 0.6804(19) 1 calc GR . P B 1
C107 C 0.6367(12) 0.4595(7) 0.3408(4) 0.073(3) Uani 0.6804(19) 1 d D U P B 1
H10P H 0.5933 0.4236 0.3245 0.087 Uiso 0.6804(19) 1 calc R . P B 1
H10Q H 0.5734 0.4865 0.3659 0.087 Uiso 0.6804(19) 1 calc R . P B 1
C108 C 0.7775(17) 0.3913(10) 0.3645(4) 0.074(5) Uani 0.6804(19) 1 d D U P B 1
H10R H 0.8307 0.3548 0.3409 0.111 Uiso 0.6804(19) 1 calc GR . P B 1
H10S H 0.7634 0.3438 0.3948 0.111 Uiso 0.6804(19) 1 calc GR . P B 1
H10T H 0.8278 0.4319 0.3730 0.111 Uiso 0.6804(19) 1 calc GR . P B 1
C109 C 0.5084(9) 0.7901(6) 0.3381(3) 0.0448(16) Uani 0.6804(19) 1 d D U P B 1
H10U H 0.4332 0.8489 0.3204 0.054 Uiso 0.6804(19) 1 calc R . P B 1
H10V H 0.5581 0.8128 0.3596 0.054 Uiso 0.6804(19) 1 calc R . P B 1
C110 C 0.4449(7) 0.7127(5) 0.3712(3) 0.0373(14) Uani 0.6804(19) 1 d D U P B 1
H11A H 0.3901 0.6935 0.3504 0.056 Uiso 0.6804(19) 1 calc GR . P B 1
H11B H 0.3856 0.7423 0.3960 0.056 Uiso 0.6804(19) 1 calc GR . P B 1
H11C H 0.5189 0.6536 0.3882 0.056 Uiso 0.6804(19) 1 calc GR . P B 1
C111 C 0.3851(8) 0.9495(6) 0.1968(4) 0.0359(18) Uani 0.6804(19) 1 d D U P B 1
H11D H 0.3180 0.9134 0.1973 0.043 Uiso 0.6804(19) 1 calc R . P B 1
H11E H 0.4184 0.9651 0.1624 0.043 Uiso 0.6804(19) 1 calc R . P B 1
C112 C 0.3182(12) 1.0414(7) 0.2118(4) 0.041(2) Uani 0.6804(19) 1 d D U P B 1
H11F H 0.2454 1.0854 0.1875 0.061 Uiso 0.6804(19) 1 calc GR . P B 1
H11G H 0.3863 1.0747 0.2133 0.061 Uiso 0.6804(19) 1 calc GR . P B 1
H11H H 0.2779 1.0261 0.2446 0.061 Uiso 0.6804(19) 1 calc GR . P B 1
C121 C 0.9122(7) 0.6147(3) 0.2023(3) 0.055(3) Uiso 0.6804(19) 1 d D U P B 1
H121 H 0.9520 0.5464 0.2021 0.067 Uiso 0.6804(19) 1 calc R . P B 1
C122 C 0.8883(7) 0.6535(6) 0.24495(18) 0.065(2) Uiso 0.6804(19) 1 d DG U P B 1
H122 H 0.9093 0.6158 0.2784 0.078 Uiso 0.6804(19) 1 calc R . P B 1
C123 C 0.8275(7) 0.7587(5) 0.2289(3) 0.069(3) Uiso 0.6804(19) 1 d DG U P B 1
H123 H 0.8007 0.8036 0.2497 0.083 Uiso 0.6804(19) 1 calc R . P B 1
C124 C 0.8139(6) 0.7848(4) 0.1762(3) 0.052(2) Uiso 0.6804(19) 1 d DG U P B 1
H124 H 0.7763 0.8503 0.1556 0.063 Uiso 0.6804(19) 1 calc R . P B 1
C125 C 0.8662(7) 0.6958(6) 0.15979(17) 0.056(2) Uiso 0.6804(19) 1 d DG U P B 1
H125 H 0.8698 0.6913 0.1263 0.067 Uiso 0.6804(19) 1 calc R . P B 1
Co2 Co 0.7038(6) 0.6852(5) 0.19305(19) 0.0528(15) Uani 0.3196(19) 1 d D U P B 2
P201 P 0.5202(4) 0.8013(3) 0.16560(19) 0.0558(14) Uani 0.3196(19) 1 d D U P B 2
P202 P 0.6352(4) 0.5809(3) 0.16736(15) 0.0448(10) Uani 0.3196(19) 1 d D U P B 2
P203 P 0.6175(4) 0.6430(3) 0.26621(15) 0.0398(9) Uani 0.3196(19) 1 d D U P B 2
O201 O 0.3900(12) 0.7733(9) 0.1669(5) 0.056(3) Uiso 0.3196(19) 1 d D U P B 2
O202 O 0.5044(9) 0.5610(7) 0.1871(4) 0.041(2) Uiso 0.3196(19) 1 d D U P B 2
O203 O 0.4671(9) 0.6495(8) 0.2695(4) 0.044(2) Uiso 0.3196(19) 1 d D U P B 2
O204 O 0.4955(13) 0.8871(9) 0.1943(5) 0.059(3) Uiso 0.3196(19) 1 d D U P B 2
O205 O 0.5335(14) 0.8618(10) 0.1109(4) 0.056(4) Uiso 0.3196(19) 1 d D U P B 2
O206 O 0.6267(17) 0.6115(11) 0.1091(4) 0.052(4) Uiso 0.3196(19) 1 d D U P B 2
O207 O 0.7583(10) 0.4820(7) 0.1806(4) 0.042(2) Uiso 0.3196(19) 1 d D U P B 2
O208 O 0.7271(14) 0.5126(9) 0.2837(5) 0.066(4) Uiso 0.3196(19) 1 d D U P B 2
O209 O 0.6488(16) 0.6969(12) 0.3042(5) 0.071(4) Uiso 0.3196(19) 1 d D U P B 2
C201 C 0.373(3) 0.969(2) 0.1840(12) 0.084(13) Uiso 0.3196(19) 1 d D U P B 2
H20A H 0.2947 0.9431 0.1846 0.101 Uiso 0.3196(19) 1 calc R . P B 2
H20B H 0.3780 1.0096 0.1499 0.101 Uiso 0.3196(19) 1 calc R . P B 2
C202 C 0.347(4) 1.034(3) 0.2198(16) 0.105(18) Uiso 0.3196(19) 1 d D U P B 2
H20C H 0.2486 1.0733 0.2184 0.157 Uiso 0.3196(19) 1 calc GR . P B 2
H20D H 0.4016 1.0798 0.2106 0.157 Uiso 0.3196(19) 1 calc GR . P B 2
H20E H 0.3723 0.9927 0.2536 0.157 Uiso 0.3196(19) 1 calc GR . P B 2
C203 C 0.443(3) 0.870(2) 0.0707(9) 0.110(13) Uiso 0.3196(19) 1 d D U P B 2
H20F H 0.4795 0.8112 0.0565 0.132 Uiso 0.3196(19) 1 calc R . P B 2
H20G H 0.3498 0.8728 0.0833 0.132 Uiso 0.3196(19) 1 calc R . P B 2
C204 C 0.438(4) 0.960(2) 0.0332(10) 0.111(11) Uiso 0.3196(19) 1 d D U P B 2
H20H H 0.3707 0.9716 0.0072 0.167 Uiso 0.3196(19) 1 calc GR . P B 2
H20I H 0.5292 0.9537 0.0186 0.167 Uiso 0.3196(19) 1 calc GR . P B 2
H20J H 0.4108 1.0169 0.0485 0.167 Uiso 0.3196(19) 1 calc GR . P B 2
C205 C 0.561(4) 0.565(3) 0.0856(10) 0.105(13) Uiso 0.3196(19) 1 d D U P B 2
H20K H 0.4623 0.6050 0.0805 0.126 Uiso 0.3196(19) 1 calc R . P B 2
H20L H 0.5659 0.4988 0.1079 0.126 Uiso 0.3196(19) 1 calc R . P B 2
C206 C 0.619(4) 0.550(3) 0.0374(10) 0.107(12) Uiso 0.3196(19) 1 d D U P B 2
H20M H 0.6183 0.6143 0.0154 0.161 Uiso 0.3196(19) 1 calc GR . P B 2
H20N H 0.5631 0.5212 0.0222 0.161 Uiso 0.3196(19) 1 calc GR . P B 2
H20O H 0.7138 0.5045 0.0424 0.161 Uiso 0.3196(19) 1 calc GR . P B 2
C207 C 0.7601(18) 0.3816(11) 0.2081(7) 0.042(5) Uiso 0.3196(19) 1 d D U P B 2
H20P H 0.7062 0.3547 0.1903 0.050 Uiso 0.3196(19) 1 calc R . P B 2
H20Q H 0.7238 0.3809 0.2420 0.050 Uiso 0.3196(19) 1 calc R . P B 2
C208 C 0.916(2) 0.3224(18) 0.2096(11) 0.036(6) Uiso 0.3196(19) 1 d D U P B 2
H20R H 0.9437 0.3090 0.1770 0.054 Uiso 0.3196(19) 1 calc GR . P B 2
H20S H 0.9346 0.2591 0.2350 0.054 Uiso 0.3196(19) 1 calc GR . P B 2
H20T H 0.9693 0.3617 0.2177 0.054 Uiso 0.3196(19) 1 calc GR . P B 2
C209 C 0.686(2) 0.4895(16) 0.3318(7) 0.056(5) Uiso 0.3196(19) 1 d D U P B 2
H20U H 0.5961 0.4774 0.3316 0.068 Uiso 0.3196(19) 1 calc R . P B 2
H20V H 0.6695 0.5485 0.3453 0.068 Uiso 0.3196(19) 1 calc R . P B 2
C210 C 0.784(6) 0.399(4) 0.3675(15) 0.15(2) Uiso 0.3196(19) 1 d D U P B 2
H21A H 0.7431 0.3887 0.4004 0.226 Uiso 0.3196(19) 1 calc GR . P B 2
H21B H 0.8716 0.4118 0.3700 0.226 Uiso 0.3196(19) 1 calc GR . P B 2
H21C H 0.8010 0.3400 0.3549 0.226 Uiso 0.3196(19) 1 calc GR . P B 2
C211 C 0.567(5) 0.791(2) 0.3118(19) 0.22(3) Uiso 0.3196(19) 1 d D U P B 2
H21D H 0.5152 0.8342 0.2812 0.263 Uiso 0.3196(19) 1 calc R . P B 2
H21E H 0.6255 0.8249 0.3223 0.263 Uiso 0.3196(19) 1 calc R . P B 2
C212 C 0.474(5) 0.766(4) 0.351(2) 0.23(3) Uiso 0.3196(19) 1 d D U P B 2
H21F H 0.3822 0.8151 0.3441 0.338 Uiso 0.3196(19) 1 calc GR . P B 2
H21G H 0.5088 0.7664 0.3831 0.338 Uiso 0.3196(19) 1 calc GR . P B 2
H21H H 0.4691 0.6993 0.3530 0.338 Uiso 0.3196(19) 1 calc GR . P B 2
C221 C 0.9118(10) 0.6164(5) 0.2151(5) 0.025(3) Uiso 0.3196(19) 1 d D U P B 2
H221 H 0.9515 0.5485 0.2324 0.030 Uiso 0.3196(19) 1 calc R . P B 2
C222 C 0.8606(11) 0.6983(9) 0.2371(3) 0.049(4) Uiso 0.3196(19) 1 d DG U P B 2
H222 H 0.8600 0.6948 0.2717 0.058 Uiso 0.3196(19) 1 calc R . P B 2
C223 C 0.8104(9) 0.7864(5) 0.1984(5) 0.023(2) Uiso 0.3196(19) 1 d DG U P B 2
H223 H 0.7703 0.8522 0.2025 0.028 Uiso 0.3196(19) 1 calc R . P B 2
C224 C 0.8307(12) 0.7590(9) 0.1525(3) 0.053(4) Uiso 0.3196(19) 1 d DG U P B 2
H224 H 0.8065 0.8031 0.1204 0.063 Uiso 0.3196(19) 1 calc R . P B 2
C225 C 0.8933(12) 0.6539(9) 0.1628(4) 0.077(7) Uiso 0.3196(19) 1 d DG U P B 2
H225 H 0.9185 0.6154 0.1389 0.093 Uiso 0.3196(19) 1 calc R . P B 2
Dy1A Dy -0.0228(6) 0.6460(4) 0.2181(2) 0.0233(18) Uani 0.0308(8) 1 d . U P C 3


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 N1 2.391(3) . ?
Dy1 N2 2.393(3) . ?
Dy1 N3 2.384(3) . ?
Dy1 N4 2.403(3) . ?
Dy1 O101 2.280(4) . ?
Dy1 O102 2.305(4) . ?
Dy1 O103 2.313(4) . ?
Dy1 O201 2.284(11) . ?
Dy1 O202 2.347(9) . ?
Dy1 O203 2.250(9) . ?
Si1 C24 1.840(4) . ?
Si1 C25 1.869(5) . ?
Si1 C28 1.881(5) . ?
Si1 C31 1.896(5) . ?
N1 C1 1.364(4) . ?
N1 C4 1.374(5) . ?
N1 Dy1A 2.903(7) . ?
N2 C6 1.376(5) . ?
N2 C9 1.357(5) . ?
N2 Dy1A 2.901(6) . ?
N3 C11 1.365(5) . ?
N3 C14 1.368(5) . ?
N4 C16 1.367(5) . ?
N4 C19 1.364(4) . ?
C1 C2 1.431(5) . ?
C1 C20 1.417(5) . ?
C2 H2 0.9500 . ?
C2 C3 1.349(5) . ?
C3 H3 0.9500 . ?
C3 C4 1.436(5) . ?
C4 C5 1.409(5) . ?
C5 C6 1.396(5) . ?
C5 C34 1.497(5) . ?
C6 C7 1.448(5) . ?
C7 H7 0.9500 . ?
C7 C8 1.342(6) . ?
C8 H8 0.9500 . ?
C8 C9 1.443(5) . ?
C9 C10 1.406(5) . ?
C10 C11 1.411(5) . ?
C10 C23 1.435(5) . ?
C11 C12 1.438(6) . ?
C12 H12 0.9500 . ?
C12 C13 1.346(6) . ?
C13 H13 0.9500 . ?
C13 C14 1.437(5) . ?
C14 C15 1.405(5) . ?
C15 C16 1.397(5) . ?
C15 C48 1.499(5) . ?
C16 C17 1.442(5) . ?
C17 H17 0.9500 . ?
C17 C18 1.345(5) . ?
C18 H18 0.9500 . ?
C18 C19 1.433(5) . ?
C19 C20 1.403(5) . ?
C20 C21 1.425(5) . ?
C21 C22 1.202(5) . ?
C22 C22 1.369(7) 2_575 ?
C23 C24 1.198(6) . ?
C25 H25 1.0000 . ?
C25 C26 1.525(8) . ?
C25 C27 1.529(8) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28 1.0000 . ?
C28 C29 1.525(8) . ?
C28 C30 1.537(6) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31 1.0000 . ?
C31 C32 1.536(7) . ?
C31 C33 1.527(7) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 C35 1.390(5) . ?
C34 C39 1.392(5) . ?
C35 H35 0.9500 . ?
C35 C36 1.392(5) . ?
C36 C37 1.389(5) . ?
C36 C40 1.530(5) . ?
C37 H37 0.9500 . ?
C37 C38 1.392(5) . ?
C38 C39 1.386(5) . ?
C38 C44 1.534(5) . ?
C39 H39 0.9500 . ?
C40 C41 1.521(6) . ?
C40 C42 1.517(6) . ?
C40 C43 1.529(7) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 C45 1.517(6) . ?
C44 C46 1.527(6) . ?
C44 C47 1.519(6) . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 C49 1.384(5) . ?
C48 C53 1.384(5) . ?
C49 H49 0.9500 . ?
C49 C50 1.396(5) . ?
C50 C51 1.389(6) . ?
C50 C54 1.523(11) . ?
C50 C54A 1.521(11) . ?
C51 H51 0.9500 . ?
C51 C52 1.382(6) . ?
C52 C53 1.384(6) . ?
C52 C58 1.558(6) . ?
C53 H53 0.9500 . ?
C58 C59 1.504(7) . ?
C58 C60 1.524(7) . ?
C58 C61 1.521(7) . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C54 C55 1.526(13) . ?
C54 C56 1.534(13) . ?
C54 C57 1.519(14) . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C54A C55A 1.522(13) . ?
C54A C56A 1.531(14) . ?
C54A C57A 1.516(14) . ?
C55A H55D 0.9800 . ?
C55A H55E 0.9800 . ?
C55A H55F 0.9800 . ?
C56A H56D 0.9800 . ?
C56A H56E 0.9800 . ?
C56A H56F 0.9800 . ?
C57A H57D 0.9800 . ?
C57A H57E 0.9800 . ?
C57A H57F 0.9800 . ?
Co1 P101 2.168(3) . ?
Co1 P102 2.161(3) . ?
Co1 P103 2.156(3) . ?
Co1 C121 2.098(6) . ?
Co1 C122 2.072(6) . ?
Co1 C123 2.062(6) . ?
Co1 C124 2.082(6) . ?
Co1 C125 2.104(6) . ?
P101 O101 1.504(4) . ?
P101 O104 1.604(5) . ?
P101 O105 1.592(6) . ?
P102 O102 1.495(4) . ?
P102 O106 1.552(6) . ?
P102 O107 1.675(7) . ?
P103 O103 1.504(4) . ?
P103 O108 1.619(5) . ?
P103 O109 1.614(4) . ?
O104 C101 1.414(9) . ?
O105 C103 1.467(9) . ?
O106 C105 1.397(11) . ?
O107 C107 1.472(12) . ?
O108 C109 1.386(11) . ?
O109 C111 1.426(11) . ?
C101 H10A 0.9900 . ?
C101 H10B 0.9900 . ?
C101 C102 1.505(11) . ?
C102 H10C 0.9800 . ?
C102 H10D 0.9800 . ?
C102 H10E 0.9800 . ?
C103 H10F 0.9900 . ?
C103 H10G 0.9900 . ?
C103 C104 1.465(13) . ?
C104 H10H 0.9800 . ?
C104 H10I 0.9800 . ?
C104 H10J 0.9800 . ?
C105 H10K 0.9900 . ?
C105 H10L 0.9900 . ?
C105 C106 1.533(15) . ?
C106 H10M 0.9800 . ?
C106 H10N 0.9800 . ?
C106 H10O 0.9800 . ?
C107 H10P 0.9900 . ?
C107 H10Q 0.9900 . ?
C107 C108 1.539(14) . ?
C108 H10R 0.9800 . ?
C108 H10S 0.9800 . ?
C108 H10T 0.9800 . ?
C109 H10U 0.9900 . ?
C109 H10V 0.9900 . ?
C109 C110 1.554(13) . ?
C110 H11A 0.9800 . ?
C110 H11B 0.9800 . ?
C110 H11C 0.9800 . ?
C111 H11D 0.9900 . ?
C111 H11E 0.9900 . ?
C111 C112 1.452(10) . ?
C112 H11F 0.9800 . ?
C112 H11G 0.9800 . ?
C112 H11H 0.9800 . ?
C121 H121 0.9500 . ?
C121 C122 1.4200 . ?
C121 C125 1.4200 . ?
C122 H122 0.9500 . ?
C122 C123 1.4200 . ?
C123 H123 0.9500 . ?
C123 C124 1.4200 . ?
C124 H124 0.9500 . ?
C124 C125 1.4200 . ?
C125 H125 0.9500 . ?
Co2 P201 2.113(7) . ?
Co2 P202 2.158(7) . ?
Co2 P203 2.187(7) . ?
Co2 C221 2.099(9) . ?
Co2 C222 2.169(8) . ?
Co2 C223 2.142(8) . ?
Co2 C224 2.053(9) . ?
Co2 C225 2.026(10) . ?
P201 O201 1.513(11) . ?
P201 O204 1.601(11) . ?
P201 O205 1.575(12) . ?
P202 O202 1.503(9) . ?
P202 O206 1.567(12) . ?
P202 O207 1.558(10) . ?
P203 O203 1.512(10) . ?
P203 O208 1.830(12) . ?
P203 O209 1.575(12) . ?
O204 C201 1.406(19) . ?
O205 C203 1.455(19) . ?
O206 C205 1.393(19) . ?
O207 C207 1.466(15) . ?
O208 C209 1.369(17) . ?
O209 C211 1.42(2) . ?
C201 H20A 0.9900 . ?
C201 H20B 0.9900 . ?
C201 C202 1.51(2) . ?
C202 H20C 0.9800 . ?
C202 H20D 0.9800 . ?
C202 H20E 0.9800 . ?
C203 H20F 0.9900 . ?
C203 H20G 0.9900 . ?
C203 C204 1.45(2) . ?
C204 H20H 0.9800 . ?
C204 H20I 0.9800 . ?
C204 H20J 0.9800 . ?
C205 H20K 0.9900 . ?
C205 H20L 0.9900 . ?
C205 C206 1.47(2) . ?
C206 H20M 0.9800 . ?
C206 H20N 0.9800 . ?
C206 H20O 0.9800 . ?
C207 H20P 0.9900 . ?
C207 H20Q 0.9900 . ?
C207 C208 1.55(2) . ?
C208 H20R 0.9800 . ?
C208 H20S 0.9800 . ?
C208 H20T 0.9800 . ?
C209 H20U 0.9900 . ?
C209 H20V 0.9900 . ?
C209 C210 1.53(2) . ?
C210 H21A 0.9800 . ?
C210 H21B 0.9800 . ?
C210 H21C 0.9800 . ?
C211 H21D 0.9900 . ?
C211 H21E 0.9900 . ?
C211 C212 1.46(2) . ?
C212 H21F 0.9800 . ?
C212 H21G 0.9800 . ?
C212 H21H 0.9800 . ?
C221 H221 0.9500 . ?
C221 C222 1.4200 . ?
C221 C225 1.4200 . ?
C222 H222 0.9500 . ?
C222 C223 1.4200 . ?
C223 H223 0.9500 . ?
C223 C224 1.4200 . ?
C224 H224 0.9500 . ?
C224 C225 1.4200 . ?
C225 H225 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Dy1 N2 74.80(10) . . ?
N1 Dy1 N4 74.97(10) . . ?
N2 Dy1 N4 118.31(10) . . ?
N3 Dy1 N1 118.64(11) . . ?
N3 Dy1 N2 75.14(11) . . ?
N3 Dy1 N4 74.43(10) . . ?
O101 Dy1 N1 77.46(13) . . ?
O101 Dy1 N2 134.79(14) . . ?
O101 Dy1 N3 150.07(14) . . ?
O101 Dy1 N4 87.23(13) . . ?
O101 Dy1 O102 79.86(14) . . ?
O101 Dy1 O103 77.03(15) . . ?
O102 Dy1 N1 112.80(12) . . ?
O102 Dy1 N2 78.95(12) . . ?
O102 Dy1 N3 112.06(13) . . ?
O102 Dy1 N4 162.73(12) . . ?
O102 Dy1 O103 80.04(14) . . ?
O103 Dy1 N1 148.69(12) . . ?
O103 Dy1 N2 136.52(12) . . ?
O103 Dy1 N3 78.23(13) . . ?
O103 Dy1 N4 85.95(12) . . ?
O201 Dy1 N1 88.5(3) . . ?
O201 Dy1 N2 154.7(4) . . ?
O201 Dy1 N3 130.1(4) . . ?
O201 Dy1 N4 73.9(3) . . ?
O201 Dy1 O202 76.2(4) . . ?
O202 Dy1 N1 84.7(2) . . ?
O202 Dy1 N2 83.2(2) . . ?
O202 Dy1 N3 141.4(3) . . ?
O202 Dy1 N4 144.0(3) . . ?
O203 Dy1 N1 160.8(3) . . ?
O203 Dy1 N2 108.3(3) . . ?
O203 Dy1 N3 80.0(3) . . ?
O203 Dy1 N4 117.3(3) . . ?
O203 Dy1 O201 81.6(4) . . ?
O203 Dy1 O202 77.0(3) . . ?
C24 Si1 C25 108.1(2) . . ?
C24 Si1 C28 107.5(2) . . ?
C24 Si1 C31 103.5(2) . . ?
C25 Si1 C28 109.2(2) . . ?
C25 Si1 C31 116.5(2) . . ?
C28 Si1 C31 111.5(2) . . ?
Dy1 N1 Dy1A 79.12(14) . . ?
C1 N1 Dy1 123.2(2) . . ?
C1 N1 C4 105.9(3) . . ?
C1 N1 Dy1A 112.7(2) . . ?
C4 N1 Dy1 123.6(2) . . ?
C4 N1 Dy1A 107.7(2) . . ?
Dy1 N2 Dy1A 79.12(14) . . ?
C6 N2 Dy1 124.6(2) . . ?
C6 N2 Dy1A 104.6(2) . . ?
C9 N2 Dy1 125.1(2) . . ?
C9 N2 C6 106.4(3) . . ?
C9 N2 Dy1A 108.5(3) . . ?
C11 N3 Dy1 124.0(3) . . ?
C11 N3 C14 106.1(3) . . ?
C14 N3 Dy1 125.2(2) . . ?
C16 N4 Dy1 124.5(2) . . ?
C19 N4 Dy1 122.7(2) . . ?
C19 N4 C16 106.5(3) . . ?
N1 C1 C2 110.3(3) . . ?
N1 C1 C20 124.6(3) . . ?
C20 C1 C2 125.0(3) . . ?
C1 C2 H2 126.5 . . ?
C3 C2 C1 107.0(3) . . ?
C3 C2 H2 126.5 . . ?
C2 C3 H3 126.5 . . ?
C2 C3 C4 106.9(3) . . ?
C4 C3 H3 126.5 . . ?
N1 C4 C3 109.8(3) . . ?
N1 C4 C5 125.0(3) . . ?
C5 C4 C3 125.1(3) . . ?
C4 C5 C34 116.5(3) . . ?
C6 C5 C4 125.7(3) . . ?
C6 C5 C34 117.8(3) . . ?
N2 C6 C5 126.1(3) . . ?
N2 C6 C7 109.4(3) . . ?
C5 C6 C7 124.4(3) . . ?
C6 C7 H7 126.5 . . ?
C8 C7 C6 106.9(3) . . ?
C8 C7 H7 126.5 . . ?
C7 C8 H8 126.4 . . ?
C7 C8 C9 107.2(3) . . ?
C9 C8 H8 126.4 . . ?
N2 C9 C8 110.1(3) . . ?
N2 C9 C10 125.5(3) . . ?
C10 C9 C8 124.4(3) . . ?
C9 C10 C11 125.7(3) . . ?
C9 C10 C23 118.9(3) . . ?
C11 C10 C23 115.4(4) . . ?
N3 C11 C10 125.5(4) . . ?
N3 C11 C12 110.1(3) . . ?
C10 C11 C12 124.2(4) . . ?
C11 C12 H12 126.6 . . ?
C13 C12 C11 106.8(4) . . ?
C13 C12 H12 126.6 . . ?
C12 C13 H13 126.4 . . ?
C12 C13 C14 107.1(4) . . ?
C14 C13 H13 126.4 . . ?
N3 C14 C13 109.9(3) . . ?
N3 C14 C15 125.7(3) . . ?
C15 C14 C13 124.4(4) . . ?
C14 C15 C48 116.6(3) . . ?
C16 C15 C14 125.9(3) . . ?
C16 C15 C48 117.3(3) . . ?
N4 C16 C15 125.2(3) . . ?
N4 C16 C17 109.5(3) . . ?
C15 C16 C17 125.2(3) . . ?
C16 C17 H17 126.6 . . ?
C18 C17 C16 106.9(3) . . ?
C18 C17 H17 126.6 . . ?
C17 C18 H18 126.4 . . ?
C17 C18 C19 107.2(3) . . ?
C19 C18 H18 126.4 . . ?
N4 C19 C18 109.9(3) . . ?
N4 C19 C20 125.7(3) . . ?
C20 C19 C18 124.4(3) . . ?
C1 C20 C21 116.8(3) . . ?
C19 C20 C1 126.5(3) . . ?
C19 C20 C21 116.6(3) . . ?
C22 C21 C20 178.1(4) . . ?
C21 C22 C22 179.4(6) . 2_575 ?
C24 C23 C10 174.7(4) . . ?
C23 C24 Si1 168.3(4) . . ?
Si1 C25 H25 107.9 . . ?
C26 C25 Si1 114.3(4) . . ?
C26 C25 H25 107.9 . . ?
C26 C25 C27 109.0(5) . . ?
C27 C25 Si1 109.6(4) . . ?
C27 C25 H25 107.9 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si1 C28 H28 106.0 . . ?
C29 C28 Si1 112.6(3) . . ?
C29 C28 H28 106.0 . . ?
C29 C28 C30 111.2(5) . . ?
C30 C28 Si1 114.3(4) . . ?
C30 C28 H28 106.0 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
Si1 C31 H31 105.6 . . ?
C32 C31 Si1 113.6(4) . . ?
C32 C31 H31 105.6 . . ?
C33 C31 Si1 115.2(3) . . ?
C33 C31 H31 105.6 . . ?
C33 C31 C32 110.3(4) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C35 C34 C5 119.2(3) . . ?
C35 C34 C39 119.7(3) . . ?
C39 C34 C5 121.1(3) . . ?
C34 C35 H35 119.5 . . ?
C34 C35 C36 121.0(4) . . ?
C36 C35 H35 119.5 . . ?
C35 C36 C40 122.2(4) . . ?
C37 C36 C35 117.6(3) . . ?
C37 C36 C40 120.2(3) . . ?
C36 C37 H37 118.5 . . ?
C36 C37 C38 122.9(3) . . ?
C38 C37 H37 118.5 . . ?
C37 C38 C44 119.8(3) . . ?
C39 C38 C37 117.9(3) . . ?
C39 C38 C44 122.2(3) . . ?
C34 C39 H39 119.6 . . ?
C38 C39 C34 120.9(3) . . ?
C38 C39 H39 119.6 . . ?
C41 C40 C36 109.8(3) . . ?
C41 C40 C43 109.5(4) . . ?
C42 C40 C36 112.2(3) . . ?
C42 C40 C41 108.6(4) . . ?
C42 C40 C43 107.7(4) . . ?
C43 C40 C36 109.0(4) . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C40 C42 H42A 109.5 . . ?
C40 C42 H42B 109.5 . . ?
C40 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C40 C43 H43A 109.5 . . ?
C40 C43 H43B 109.5 . . ?
C40 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C45 C44 C38 109.0(3) . . ?
C45 C44 C46 107.9(4) . . ?
C45 C44 C47 110.4(4) . . ?
C46 C44 C38 112.0(3) . . ?
C47 C44 C38 109.7(3) . . ?
C47 C44 C46 107.9(4) . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C44 C46 H46A 109.5 . . ?
C44 C46 H46B 109.5 . . ?
C44 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C44 C47 H47A 109.5 . . ?
C44 C47 H47B 109.5 . . ?
C44 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C49 C48 C15 120.3(3) . . ?
C53 C48 C15 119.6(3) . . ?
C53 C48 C49 120.1(4) . . ?
C48 C49 H49 119.5 . . ?
C48 C49 C50 120.9(4) . . ?
C50 C49 H49 119.5 . . ?
C49 C50 C54 120.7(6) . . ?
C49 C50 C54A 121.4(6) . . ?
C51 C50 C49 117.6(4) . . ?
C51 C50 C54 121.6(6) . . ?
C51 C50 C54A 120.9(6) . . ?
C50 C51 H51 119.0 . . ?
C52 C51 C50 122.0(4) . . ?
C52 C51 H51 119.0 . . ?
C51 C52 C53 119.3(4) . . ?
C51 C52 C58 118.8(4) . . ?
C53 C52 C58 121.9(4) . . ?
C48 C53 C52 119.9(4) . . ?
C48 C53 H53 120.0 . . ?
C52 C53 H53 120.0 . . ?
C59 C58 C52 109.6(4) . . ?
C59 C58 C60 110.4(4) . . ?
C59 C58 C61 109.0(5) . . ?
C60 C58 C52 108.3(4) . . ?
C61 C58 C52 112.4(4) . . ?
C61 C58 C60 107.1(4) . . ?
C58 C59 H59A 109.5 . . ?
C58 C59 H59B 109.5 . . ?
C58 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C58 C60 H60A 109.5 . . ?
C58 C60 H60B 109.5 . . ?
C58 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C58 C61 H61A 109.5 . . ?
C58 C61 H61B 109.5 . . ?
C58 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C50 C54 C55 114.2(8) . . ?
C50 C54 C56 107.9(8) . . ?
C55 C54 C56 107.2(9) . . ?
C57 C54 C50 109.6(8) . . ?
C57 C54 C55 108.1(9) . . ?
C57 C54 C56 109.8(9) . . ?
C54 C55 H55A 109.5 . . ?
C54 C55 H55B 109.5 . . ?
C54 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C54 C56 H56A 109.5 . . ?
C54 C56 H56B 109.5 . . ?
C54 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C54 C57 H57A 109.5 . . ?
C54 C57 H57B 109.5 . . ?
C54 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C50 C54A C55A 108.5(9) . . ?
C50 C54A C56A 113.3(9) . . ?
C55A C54A C56A 106.7(9) . . ?
C57A C54A C50 109.5(9) . . ?
C57A C54A C55A 108.3(10) . . ?
C57A C54A C56A 110.4(10) . . ?
C54A C55A H55D 109.5 . . ?
C54A C55A H55E 109.5 . . ?
C54A C55A H55F 109.5 . . ?
H55D C55A H55E 109.5 . . ?
H55D C55A H55F 109.5 . . ?
H55E C55A H55F 109.5 . . ?
C54A C56A H56D 109.5 . . ?
C54A C56A H56E 109.5 . . ?
C54A C56A H56F 109.5 . . ?
H56D C56A H56E 109.5 . . ?
H56D C56A H56F 109.5 . . ?
H56E C56A H56F 109.5 . . ?
C54A C57A H57D 109.5 . . ?
C54A C57A H57E 109.5 . . ?
C54A C57A H57F 109.5 . . ?
H57D C57A H57E 109.5 . . ?
H57D C57A H57F 109.5 . . ?
H57E C57A H57F 109.5 . . ?
P102 Co1 P101 92.06(11) . . ?
P103 Co1 P101 92.14(10) . . ?
P103 Co1 P102 89.76(12) . . ?
C121 Co1 P101 117.8(2) . . ?
C121 Co1 P102 92.94(19) . . ?
C121 Co1 P103 149.8(2) . . ?
C121 Co1 C125 39.49(10) . . ?
C122 Co1 P101 155.9(2) . . ?
C122 Co1 P102 97.3(2) . . ?
C122 Co1 P103 110.0(2) . . ?
C122 Co1 C121 39.81(10) . . ?
C122 Co1 C124 67.16(14) . . ?
C122 Co1 C125 66.75(13) . . ?
C123 Co1 P101 135.1(3) . . ?
C123 Co1 P102 132.9(3) . . ?
C123 Co1 P103 89.36(18) . . ?
C123 Co1 C121 67.04(14) . . ?
C123 Co1 C122 40.18(11) . . ?
C123 Co1 C124 40.08(10) . . ?
C123 Co1 C125 66.93(13) . . ?
C124 Co1 P101 97.7(2) . . ?
C124 Co1 P102 159.6(2) . . ?
C124 Co1 P103 107.6(2) . . ?
C124 Co1 C121 66.68(13) . . ?
C124 Co1 C125 39.65(10) . . ?
C125 Co1 P101 89.54(18) . . ?
C125 Co1 P102 123.2(2) . . ?
C125 Co1 P103 146.9(2) . . ?
O101 P101 Co1 119.59(19) . . ?
O101 P101 O104 107.6(3) . . ?
O101 P101 O105 107.7(3) . . ?
O104 P101 Co1 108.7(2) . . ?
O105 P101 Co1 111.9(2) . . ?
O105 P101 O104 99.4(3) . . ?
O102 P102 Co1 118.72(19) . . ?
O102 P102 O106 110.4(3) . . ?
O102 P102 O107 108.6(3) . . ?
O106 P102 Co1 118.6(3) . . ?
O106 P102 O107 91.7(3) . . ?
O107 P102 Co1 104.4(2) . . ?
O103 P103 Co1 118.92(18) . . ?
O103 P103 O108 109.0(3) . . ?
O103 P103 O109 108.0(2) . . ?
O108 P103 Co1 106.3(2) . . ?
O109 P103 Co1 113.0(2) . . ?
O109 P103 O108 99.9(3) . . ?
P101 O101 Dy1 133.4(2) . . ?
P102 O102 Dy1 133.7(2) . . ?
P103 O103 Dy1 136.1(2) . . ?
C101 O104 P101 116.5(4) . . ?
C103 O105 P101 120.0(5) . . ?
C105 O106 P102 116.0(6) . . ?
C107 O107 P102 121.0(6) . . ?
C109 O108 P103 117.3(4) . . ?
C111 O109 P103 123.6(4) . . ?
O104 C101 H10A 109.0 . . ?
O104 C101 H10B 109.0 . . ?
O104 C101 C102 113.0(7) . . ?
H10A C101 H10B 107.8 . . ?
C102 C101 H10A 109.0 . . ?
C102 C101 H10B 109.0 . . ?
C101 C102 H10C 109.5 . . ?
C101 C102 H10D 109.5 . . ?
C101 C102 H10E 109.5 . . ?
H10C C102 H10D 109.5 . . ?
H10C C102 H10E 109.5 . . ?
H10D C102 H10E 109.5 . . ?
O105 C103 H10F 109.4 . . ?
O105 C103 H10G 109.4 . . ?
H10F C103 H10G 108.0 . . ?
C104 C103 O105 111.0(7) . . ?
C104 C103 H10F 109.4 . . ?
C104 C103 H10G 109.4 . . ?
C103 C104 H10H 109.5 . . ?
C103 C104 H10I 109.5 . . ?
C103 C104 H10J 109.5 . . ?
H10H C104 H10I 109.5 . . ?
H10H C104 H10J 109.5 . . ?
H10I C104 H10J 109.5 . . ?
O106 C105 H10K 110.8 . . ?
O106 C105 H10L 110.8 . . ?
O106 C105 C106 104.7(11) . . ?
H10K C105 H10L 108.9 . . ?
C106 C105 H10K 110.8 . . ?
C106 C105 H10L 110.8 . . ?
C105 C106 H10M 109.5 . . ?
C105 C106 H10N 109.5 . . ?
C105 C106 H10O 109.5 . . ?
H10M C106 H10N 109.5 . . ?
H10M C106 H10O 109.5 . . ?
H10N C106 H10O 109.5 . . ?
O107 C107 H10P 111.3 . . ?
O107 C107 H10Q 111.3 . . ?
O107 C107 C108 102.5(11) . . ?
H10P C107 H10Q 109.2 . . ?
C108 C107 H10P 111.3 . . ?
C108 C107 H10Q 111.3 . . ?
C107 C108 H10R 109.5 . . ?
C107 C108 H10S 109.5 . . ?
C107 C108 H10T 109.5 . . ?
H10R C108 H10S 109.5 . . ?
H10R C108 H10T 109.5 . . ?
H10S C108 H10T 109.5 . . ?
O108 C109 H10U 109.1 . . ?
O108 C109 H10V 109.1 . . ?
O108 C109 C110 112.5(6) . . ?
H10U C109 H10V 107.8 . . ?
C110 C109 H10U 109.1 . . ?
C110 C109 H10V 109.1 . . ?
C109 C110 H11A 109.5 . . ?
C109 C110 H11B 109.5 . . ?
C109 C110 H11C 109.5 . . ?
H11A C110 H11B 109.5 . . ?
H11A C110 H11C 109.5 . . ?
H11B C110 H11C 109.5 . . ?
O109 C111 H11D 109.7 . . ?
O109 C111 H11E 109.7 . . ?
O109 C111 C112 110.0(8) . . ?
H11D C111 H11E 108.2 . . ?
C112 C111 H11D 109.7 . . ?
C112 C111 H11E 109.7 . . ?
C111 C112 H11F 109.5 . . ?
C111 C112 H11G 109.5 . . ?
C111 C112 H11H 109.5 . . ?
H11F C112 H11G 109.5 . . ?
H11F C112 H11H 109.5 . . ?
H11G C112 H11H 109.5 . . ?
Co1 C121 H121 126.0 . . ?
C122 C121 Co1 69.1(2) . . ?
C122 C121 H121 126.0 . . ?
C125 C121 Co1 70.5(2) . . ?
C125 C121 H121 126.0 . . ?
C125 C121 C122 108.0 . . ?
Co1 C122 H122 125.0 . . ?
C121 C122 Co1 71.1(2) . . ?
C121 C122 H122 126.0 . . ?
C123 C122 Co1 69.5(2) . . ?
C123 C122 C121 108.0 . . ?
C123 C122 H122 126.0 . . ?
Co1 C123 H123 124.6 . . ?
C122 C123 Co1 70.3(2) . . ?
C122 C123 H123 126.0 . . ?
C122 C123 C124 108.0 . . ?
C124 C123 Co1 70.7(2) . . ?
C124 C123 H123 126.0 . . ?
Co1 C124 H124 125.4 . . ?
C123 C124 Co1 69.2(2) . . ?
C123 C124 H124 126.0 . . ?
C125 C124 Co1 71.0(2) . . ?
C125 C124 C123 108.0 . . ?
C125 C124 H124 126.0 . . ?
Co1 C125 H125 126.2 . . ?
C121 C125 Co1 70.0(2) . . ?
C121 C125 C124 108.0 . . ?
C121 C125 H125 126.0 . . ?
C124 C125 Co1 69.3(2) . . ?
C124 C125 H125 126.0 . . ?
P201 Co2 P202 90.9(3) . . ?
P201 Co2 P203 93.0(3) . . ?
P201 Co2 C222 124.6(4) . . ?
P201 Co2 C223 93.3(4) . . ?
P202 Co2 P203 90.7(3) . . ?
P202 Co2 C222 144.0(5) . . ?
C221 Co2 P201 158.5(4) . . ?
C221 Co2 P202 108.1(4) . . ?
C221 Co2 P203 96.6(4) . . ?
C221 Co2 C222 38.82(15) . . ?
C221 Co2 C223 65.6(2) . . ?
C222 Co2 P203 82.3(3) . . ?
C223 Co2 P202 162.1(4) . . ?
C223 Co2 P203 106.5(4) . . ?
C223 Co2 C222 38.46(14) . . ?
C224 Co2 P201 94.3(4) . . ?
C224 Co2 P202 122.8(4) . . ?
C224 Co2 P203 145.5(4) . . ?
C224 Co2 C221 67.2(2) . . ?
C224 Co2 C222 65.9(2) . . ?
C224 Co2 C223 39.50(15) . . ?
C225 Co2 P201 129.5(5) . . ?
C225 Co2 P202 97.3(4) . . ?
C225 Co2 P203 136.4(5) . . ?
C225 Co2 C221 40.22(17) . . ?
C225 Co2 C222 66.3(2) . . ?
C225 Co2 C223 66.8(2) . . ?
C225 Co2 C224 40.73(18) . . ?
O201 P201 Co2 117.3(5) . . ?
O201 P201 O204 109.2(7) . . ?
O201 P201 O205 107.0(7) . . ?
O204 P201 Co2 109.2(5) . . ?
O205 P201 Co2 112.7(6) . . ?
O205 P201 O204 100.0(7) . . ?
O202 P202 Co2 119.5(5) . . ?
O202 P202 O206 108.9(7) . . ?
O202 P202 O207 109.5(6) . . ?
O206 P202 Co2 109.2(6) . . ?
O207 P202 Co2 103.9(5) . . ?
O207 P202 O206 104.7(7) . . ?
O203 P203 Co2 118.9(4) . . ?
O203 P203 O208 110.3(6) . . ?
O203 P203 O209 108.7(7) . . ?
O208 P203 Co2 97.8(5) . . ?
O209 P203 Co2 112.6(6) . . ?
O209 P203 O208 107.7(7) . . ?
P201 O201 Dy1 136.2(7) . . ?
P202 O202 Dy1 132.8(6) . . ?
P203 O203 Dy1 136.5(6) . . ?
C201 O204 P201 118.4(14) . . ?
C203 O205 P201 121.7(14) . . ?
C205 O206 P202 117.9(16) . . ?
C207 O207 P202 129.8(10) . . ?
C209 O208 P203 97.9(12) . . ?
C211 O209 P203 127(2) . . ?
O204 C201 H20A 108.7 . . ?
O204 C201 H20B 108.7 . . ?
O204 C201 C202 114(2) . . ?
H20A C201 H20B 107.6 . . ?
C202 C201 H20A 108.7 . . ?
C202 C201 H20B 108.7 . . ?
C201 C202 H20C 109.5 . . ?
C201 C202 H20D 109.5 . . ?
C201 C202 H20E 109.5 . . ?
H20C C202 H20D 109.5 . . ?
H20C C202 H20E 109.5 . . ?
H20D C202 H20E 109.5 . . ?
O205 C203 H20F 110.2 . . ?
O205 C203 H20G 110.2 . . ?
H20F C203 H20G 108.5 . . ?
C204 C203 O205 107(2) . . ?
C204 C203 H20F 110.2 . . ?
C204 C203 H20G 110.2 . . ?
C203 C204 H20H 109.5 . . ?
C203 C204 H20I 109.5 . . ?
C203 C204 H20J 109.5 . . ?
H20H C204 H20I 109.5 . . ?
H20H C204 H20J 109.5 . . ?
H20I C204 H20J 109.5 . . ?
O206 C205 H20K 108.6 . . ?
O206 C205 H20L 108.6 . . ?
O206 C205 C206 114(2) . . ?
H20K C205 H20L 107.6 . . ?
C206 C205 H20K 108.6 . . ?
C206 C205 H20L 108.6 . . ?
C205 C206 H20M 109.5 . . ?
C205 C206 H20N 109.5 . . ?
C205 C206 H20O 109.5 . . ?
H20M C206 H20N 109.5 . . ?
H20M C206 H20O 109.5 . . ?
H20N C206 H20O 109.5 . . ?
O207 C207 H20P 111.4 . . ?
O207 C207 H20Q 111.4 . . ?
O207 C207 C208 101.7(14) . . ?
H20P C207 H20Q 109.3 . . ?
C208 C207 H20P 111.4 . . ?
C208 C207 H20Q 111.4 . . ?
C207 C208 H20R 109.5 . . ?
C207 C208 H20S 109.5 . . ?
C207 C208 H20T 109.5 . . ?
H20R C208 H20S 109.5 . . ?
H20R C208 H20T 109.5 . . ?
H20S C208 H20T 109.5 . . ?
O208 C209 H20U 108.2 . . ?
O208 C209 H20V 108.2 . . ?
O208 C209 C210 116(2) . . ?
H20U C209 H20V 107.3 . . ?
C210 C209 H20U 108.2 . . ?
C210 C209 H20V 108.2 . . ?
C209 C210 H21A 109.5 . . ?
C209 C210 H21B 109.5 . . ?
C209 C210 H21C 109.5 . . ?
H21A C210 H21B 109.5 . . ?
H21A C210 H21C 109.5 . . ?
H21B C210 H21C 109.5 . . ?
O209 C211 H21D 110.9 . . ?
O209 C211 H21E 110.9 . . ?
O209 C211 C212 104(3) . . ?
H21D C211 H21E 109.0 . . ?
C212 C211 H21D 110.9 . . ?
C212 C211 H21E 110.9 . . ?
C211 C212 H21F 109.5 . . ?
C211 C212 H21G 109.5 . . ?
C211 C212 H21H 109.5 . . ?
H21F C212 H21G 109.5 . . ?
H21F C212 H21H 109.5 . . ?
H21G C212 H21H 109.5 . . ?
Co2 C221 H221 125.2 . . ?
C222 C221 Co2 73.2(3) . . ?
C222 C221 H221 126.0 . . ?
C222 C221 C225 108.0 . . ?
C225 C221 Co2 67.1(3) . . ?
C225 C221 H221 126.0 . . ?
Co2 C222 H222 127.9 . . ?
C221 C222 Co2 67.9(3) . . ?
C221 C222 H222 126.0 . . ?
C223 C222 Co2 69.7(3) . . ?
C223 C222 C221 108.0 . . ?
C223 C222 H222 126.0 . . ?
Co2 C223 H223 126.8 . . ?
C222 C223 Co2 71.8(3) . . ?
C222 C223 H223 126.0 . . ?
C222 C223 C224 108.0 . . ?
C224 C223 Co2 66.9(3) . . ?
C224 C223 H223 126.0 . . ?
Co2 C224 H224 123.4 . . ?
C223 C224 Co2 73.6(3) . . ?
C223 C224 H224 126.0 . . ?
C225 C224 Co2 68.6(3) . . ?
C225 C224 C223 108.0 . . ?
C225 C224 H224 126.0 . . ?
Co2 C225 H225 122.4 . . ?
C221 C225 Co2 72.7(3) . . ?
C221 C225 H225 126.0 . . ?
C224 C225 Co2 70.7(3) . . ?
C224 C225 C221 108.0 . . ?
C224 C225 H225 126.0 . . ?
N2 Dy1A N1 60.07(14) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 N1 C1 C2 148.5(2) . . . . ?
Dy1 N1 C1 C20 -34.1(5) . . . . ?
Dy1 N1 C4 C3 -148.0(2) . . . . ?
Dy1 N1 C4 C5 33.9(5) . . . . ?
Dy1 N2 C6 C5 -25.5(5) . . . . ?
Dy1 N2 C6 C7 158.1(2) . . . . ?
Dy1 N2 C9 C8 -157.5(3) . . . . ?
Dy1 N2 C9 C10 24.9(5) . . . . ?
Dy1 N3 C11 C10 -30.3(6) . . . . ?
Dy1 N3 C11 C12 155.1(3) . . . . ?
Dy1 N3 C14 C13 -154.9(3) . . . . ?
Dy1 N3 C14 C15 28.6(6) . . . . ?
Dy1 N4 C16 C15 -31.6(5) . . . . ?
Dy1 N4 C16 C17 150.8(2) . . . . ?
Dy1 N4 C19 C18 -151.6(2) . . . . ?
Dy1 N4 C19 C20 31.9(5) . . . . ?
N1 C1 C2 C3 1.1(4) . . . . ?
N1 C1 C20 C19 -1.6(6) . . . . ?
N1 C1 C20 C21 -177.5(3) . . . . ?
N1 C4 C5 C6 3.6(6) . . . . ?
N1 C4 C5 C34 -177.9(3) . . . . ?
N2 C6 C7 C8 -0.1(4) . . . . ?
N2 C9 C10 C11 9.8(7) . . . . ?
N2 C9 C10 C23 -173.9(4) . . . . ?
N3 C11 C12 C13 1.1(6) . . . . ?
N3 C14 C15 C16 5.1(7) . . . . ?
N3 C14 C15 C48 -179.4(4) . . . . ?
N4 C16 C17 C18 1.3(4) . . . . ?
N4 C19 C20 C1 2.7(6) . . . . ?
N4 C19 C20 C21 178.6(4) . . . . ?
C1 N1 C4 C3 2.7(4) . . . . ?
C1 N1 C4 C5 -175.4(4) . . . . ?
C1 C2 C3 C4 0.5(4) . . . . ?
C2 C1 C20 C19 175.3(4) . . . . ?
C2 C1 C20 C21 -0.6(6) . . . . ?
C2 C3 C4 N1 -2.0(4) . . . . ?
C2 C3 C4 C5 176.0(4) . . . . ?
C3 C4 C5 C6 -174.2(4) . . . . ?
C3 C4 C5 C34 4.3(5) . . . . ?
C4 N1 C1 C2 -2.4(4) . . . . ?
C4 N1 C1 C20 175.0(3) . . . . ?
C4 C5 C6 N2 -8.2(6) . . . . ?
C4 C5 C6 C7 167.7(4) . . . . ?
C4 C5 C34 C35 108.9(4) . . . . ?
C4 C5 C34 C39 -68.1(5) . . . . ?
C5 C6 C7 C8 -176.6(4) . . . . ?
C5 C34 C35 C36 -175.9(3) . . . . ?
C5 C34 C39 C38 176.4(3) . . . . ?
C6 N2 C9 C8 0.9(4) . . . . ?
C6 N2 C9 C10 -176.6(4) . . . . ?
C6 C5 C34 C35 -72.5(5) . . . . ?
C6 C5 C34 C39 110.5(4) . . . . ?
C6 C7 C8 C9 0.6(4) . . . . ?
C7 C8 C9 N2 -1.0(5) . . . . ?
C7 C8 C9 C10 176.5(4) . . . . ?
C8 C9 C10 C11 -167.4(4) . . . . ?
C8 C9 C10 C23 8.9(6) . . . . ?
C9 N2 C6 C5 175.9(4) . . . . ?
C9 N2 C6 C7 -0.5(4) . . . . ?
C9 C10 C11 N3 -6.8(7) . . . . ?
C9 C10 C11 C12 167.1(4) . . . . ?
C10 C11 C12 C13 -173.6(4) . . . . ?
C11 N3 C14 C13 1.4(5) . . . . ?
C11 N3 C14 C15 -175.1(4) . . . . ?
C11 C12 C13 C14 -0.3(6) . . . . ?
C12 C13 C14 N3 -0.7(5) . . . . ?
C12 C13 C14 C15 175.9(4) . . . . ?
C13 C14 C15 C16 -170.9(4) . . . . ?
C13 C14 C15 C48 4.6(6) . . . . ?
C14 N3 C11 C10 173.1(4) . . . . ?
C14 N3 C11 C12 -1.5(5) . . . . ?
C14 C15 C16 N4 -3.2(7) . . . . ?
C14 C15 C16 C17 174.0(4) . . . . ?
C14 C15 C48 C49 -111.9(4) . . . . ?
C14 C15 C48 C53 68.7(5) . . . . ?
C15 C16 C17 C18 -176.3(4) . . . . ?
C15 C48 C49 C50 -177.6(4) . . . . ?
C15 C48 C53 C52 179.1(4) . . . . ?
C16 N4 C19 C18 1.7(4) . . . . ?
C16 N4 C19 C20 -174.9(4) . . . . ?
C16 C15 C48 C49 64.0(5) . . . . ?
C16 C15 C48 C53 -115.4(4) . . . . ?
C16 C17 C18 C19 -0.3(4) . . . . ?
C17 C18 C19 N4 -0.9(4) . . . . ?
C17 C18 C19 C20 175.7(4) . . . . ?
C18 C19 C20 C1 -173.4(4) . . . . ?
C18 C19 C20 C21 2.5(6) . . . . ?
C19 N4 C16 C15 175.8(4) . . . . ?
C19 N4 C16 C17 -1.8(4) . . . . ?
C20 C1 C2 C3 -176.2(4) . . . . ?
C23 C10 C11 N3 176.8(4) . . . . ?
C23 C10 C11 C12 -9.3(6) . . . . ?
C24 Si1 C25 C26 52.9(5) . . . . ?
C24 Si1 C25 C27 -69.8(4) . . . . ?
C24 Si1 C28 C29 -64.8(4) . . . . ?
C24 Si1 C28 C30 167.1(4) . . . . ?
C24 Si1 C31 C32 -67.0(4) . . . . ?
C24 Si1 C31 C33 164.3(4) . . . . ?
C25 Si1 C24 C23 -114(2) . . . . ?
C25 Si1 C28 C29 178.2(4) . . . . ?
C25 Si1 C28 C30 50.0(5) . . . . ?
C25 Si1 C31 C32 51.5(4) . . . . ?
C25 Si1 C31 C33 -77.2(5) . . . . ?
C28 Si1 C24 C23 128(2) . . . . ?
C28 Si1 C25 C26 169.5(4) . . . . ?
C28 Si1 C25 C27 46.9(5) . . . . ?
C28 Si1 C31 C32 177.8(3) . . . . ?
C28 Si1 C31 C33 49.0(4) . . . . ?
C31 Si1 C24 C23 10(2) . . . . ?
C31 Si1 C25 C26 -63.0(5) . . . . ?
C31 Si1 C25 C27 174.3(4) . . . . ?
C31 Si1 C28 C29 48.0(4) . . . . ?
C31 Si1 C28 C30 -80.2(4) . . . . ?
C34 C5 C6 N2 173.3(3) . . . . ?
C34 C5 C6 C7 -10.8(5) . . . . ?
C34 C35 C36 C37 -1.4(6) . . . . ?
C34 C35 C36 C40 177.0(4) . . . . ?
C35 C34 C39 C38 -0.6(6) . . . . ?
C35 C36 C37 C38 1.2(6) . . . . ?
C35 C36 C40 C41 119.1(4) . . . . ?
C35 C36 C40 C42 -1.7(6) . . . . ?
C35 C36 C40 C43 -120.9(4) . . . . ?
C36 C37 C38 C39 -0.6(6) . . . . ?
C36 C37 C38 C44 178.8(4) . . . . ?
C37 C36 C40 C41 -62.5(5) . . . . ?
C37 C36 C40 C42 176.7(4) . . . . ?
C37 C36 C40 C43 57.5(5) . . . . ?
C37 C38 C39 C34 0.3(6) . . . . ?
C37 C38 C44 C45 64.9(5) . . . . ?
C37 C38 C44 C46 -175.8(4) . . . . ?
C37 C38 C44 C47 -56.0(5) . . . . ?
C39 C34 C35 C36 1.2(6) . . . . ?
C39 C38 C44 C45 -115.7(4) . . . . ?
C39 C38 C44 C46 3.6(5) . . . . ?
C39 C38 C44 C47 123.3(4) . . . . ?
C40 C36 C37 C38 -177.3(4) . . . . ?
C44 C38 C39 C34 -179.1(4) . . . . ?
C48 C15 C16 N4 -178.7(4) . . . . ?
C48 C15 C16 C17 -1.4(6) . . . . ?
C48 C49 C50 C51 -1.3(6) . . . . ?
C48 C49 C50 C54 176.7(6) . . . . ?
C48 C49 C50 C54A 177.0(7) . . . . ?
C49 C48 C53 C52 -0.3(6) . . . . ?
C49 C50 C51 C52 -0.6(6) . . . . ?
C49 C50 C54 C55 8.5(12) . . . . ?
C49 C50 C54 C56 -110.6(8) . . . . ?
C49 C50 C54 C57 129.9(8) . . . . ?
C49 C50 C54A C55A -49.5(11) . . . . ?
C49 C50 C54A C56A -167.8(7) . . . . ?
C49 C50 C54A C57A 68.5(11) . . . . ?
C50 C51 C52 C53 2.0(6) . . . . ?
C50 C51 C52 C58 -179.3(4) . . . . ?
C51 C50 C54 C55 -173.6(7) . . . . ?
C51 C50 C54 C56 67.3(10) . . . . ?
C51 C50 C54 C57 -52.2(11) . . . . ?
C51 C50 C54A C55A 128.7(8) . . . . ?
C51 C50 C54A C56A 10.5(12) . . . . ?
C51 C50 C54A C57A -113.3(9) . . . . ?
C51 C52 C53 C48 -1.5(6) . . . . ?
C51 C52 C58 C59 -56.9(6) . . . . ?
C51 C52 C58 C60 63.6(5) . . . . ?
C51 C52 C58 C61 -178.2(5) . . . . ?
C53 C48 C49 C50 1.7(6) . . . . ?
C53 C52 C58 C59 121.8(5) . . . . ?
C53 C52 C58 C60 -117.7(5) . . . . ?
C53 C52 C58 C61 0.4(6) . . . . ?
C58 C52 C53 C48 179.8(4) . . . . ?
C54 C50 C51 C52 -178.6(7) . . . . ?
C54A C50 C51 C52 -178.9(7) . . . . ?
Co1 P101 O101 Dy1 -30.2(4) . . . . ?
Co1 P101 O104 C101 177.8(5) . . . . ?
Co1 P101 O105 C103 124.8(7) . . . . ?
Co1 P102 O102 Dy1 -32.4(5) . . . . ?
Co1 P102 O106 C105 -84.2(7) . . . . ?
Co1 P102 O107 C107 173.4(6) . . . . ?
Co1 P103 O103 Dy1 -15.2(4) . . . . ?
Co1 P103 O108 C109 -175.8(5) . . . . ?
Co1 P103 O109 C111 99.6(6) . . . . ?
Co1 C121 C122 C123 -60.0(2) . . . . ?
Co1 C121 C125 C124 59.1(2) . . . . ?
Co1 C122 C123 C124 -61.0(2) . . . . ?
Co1 C123 C124 C125 -60.7(2) . . . . ?
Co1 C124 C125 C121 -59.6(2) . . . . ?
P101 O104 C101 C102 115.8(7) . . . . ?
P101 O105 C103 C104 171.2(7) . . . . ?
P102 O106 C105 C106 175.5(11) . . . . ?
P102 O107 C107 C108 112.2(8) . . . . ?
P103 O108 C109 C110 93.2(6) . . . . ?
P103 O109 C111 C112 140.3(7) . . . . ?
O101 P101 O104 C101 -51.4(6) . . . . ?
O101 P101 O105 C103 -8.6(8) . . . . ?
O102 P102 O106 C105 57.8(8) . . . . ?
O102 P102 O107 C107 45.8(7) . . . . ?
O103 P103 O108 C109 -46.5(6) . . . . ?
O103 P103 O109 C111 -34.1(6) . . . . ?
O104 P101 O101 Dy1 -154.7(3) . . . . ?
O104 P101 O105 C103 -120.5(7) . . . . ?
O105 P101 O101 Dy1 99.0(4) . . . . ?
O105 P101 O104 C101 60.7(6) . . . . ?
O106 P102 O102 Dy1 -174.3(4) . . . . ?
O106 P102 O107 C107 -66.5(7) . . . . ?
O107 P102 O102 Dy1 86.5(4) . . . . ?
O107 P102 O106 C105 168.4(7) . . . . ?
O108 P103 O103 Dy1 -137.1(4) . . . . ?
O108 P103 O109 C111 -147.9(6) . . . . ?
O109 P103 O103 Dy1 115.3(3) . . . . ?
O109 P103 O108 C109 66.6(6) . . . . ?
C121 C122 C123 Co1 61.0(2) . . . . ?
C121 C122 C123 C124 0.0 . . . . ?
C122 C121 C125 Co1 -59.1(2) . . . . ?
C122 C121 C125 C124 0.0 . . . . ?
C122 C123 C124 Co1 60.7(2) . . . . ?
C122 C123 C124 C125 0.0 . . . . ?
C123 C124 C125 Co1 59.6(2) . . . . ?
C123 C124 C125 C121 0.0 . . . . ?
C125 C121 C122 Co1 60.0(2) . . . . ?
C125 C121 C122 C123 0.0 . . . . ?
Co2 P201 O201 Dy1 32.9(14) . . . . ?
Co2 P201 O204 C201 -175.8(19) . . . . ?
Co2 P201 O205 C203 122(2) . . . . ?
Co2 P202 O202 Dy1 28.3(10) . . . . ?
Co2 P202 O206 C205 -169(2) . . . . ?
Co2 P202 O207 C207 127.9(13) . . . . ?
Co2 P203 O203 Dy1 18.4(11) . . . . ?
Co2 P203 O208 C209 172.7(12) . . . . ?
Co2 P203 O209 C211 89(3) . . . . ?
Co2 C221 C222 C223 -58.4(3) . . . . ?
Co2 C221 C225 C224 62.2(3) . . . . ?
Co2 C222 C223 C224 -57.3(3) . . . . ?
Co2 C223 C224 C225 -60.3(3) . . . . ?
Co2 C224 C225 C221 -63.5(3) . . . . ?
P201 O204 C201 C202 169(3) . . . . ?
P201 O205 C203 C204 155(2) . . . . ?
P202 O206 C205 C206 -147(3) . . . . ?
P202 O207 C207 C208 -177.0(15) . . . . ?
P203 O208 C209 C210 -159(3) . . . . ?
P203 O209 C211 C212 91(4) . . . . ?
O201 P201 O204 C201 -46(2) . . . . ?
O201 P201 O205 C203 -9(2) . . . . ?
O202 P202 O206 C205 -36(2) . . . . ?
O202 P202 O207 C207 -0.8(15) . . . . ?
O203 P203 O208 C209 -62.5(13) . . . . ?
O203 P203 O209 C211 -45(3) . . . . ?
O204 P201 O201 Dy1 -92.0(12) . . . . ?
O204 P201 O205 C203 -122(2) . . . . ?
O205 P201 O201 Dy1 160.6(10) . . . . ?
O205 P201 O204 C201 66(2) . . . . ?
O206 P202 O202 Dy1 -98.1(9) . . . . ?
O206 P202 O207 C207 -117.5(14) . . . . ?
O207 P202 O202 Dy1 147.9(7) . . . . ?
O207 P202 O206 C205 81(2) . . . . ?
O208 P203 O203 Dy1 -93.2(10) . . . . ?
O208 P203 O209 C211 -165(3) . . . . ?
O209 P203 O203 Dy1 149.0(9) . . . . ?
O209 P203 O208 C209 55.9(14) . . . . ?
C221 C222 C223 Co2 57.3(3) . . . . ?
C221 C222 C223 C224 0.0 . . . . ?
C222 C221 C225 Co2 -62.2(3) . . . . ?
C222 C221 C225 C224 0.0 . . . . ?
C222 C223 C224 Co2 60.3(3) . . . . ?
C222 C223 C224 C225 0.0 . . . . ?
C223 C224 C225 Co2 63.5(3) . . . . ?
C223 C224 C225 C221 0.0 . . . . ?
C225 C221 C222 Co2 58.4(3) . . . . ?
C225 C221 C222 C223 0.0 . . . . ?
Dy1A N1 C1 C2 -119.8(3) . . . . ?
Dy1A N1 C1 C20 57.5(4) . . . . ?
Dy1A N1 C4 C3 123.4(3) . . . . ?
Dy1A N1 C4 C5 -54.6(4) . . . . ?
Dy1A N2 C6 C5 61.2(4) . . . . ?
Dy1A N2 C6 C7 -115.2(3) . . . . ?
Dy1A N2 C9 C8 112.9(3) . . . . ?
Dy1A N2 C9 C10 -64.6(4) . . . . ?

_olex2_diffrn_ambient_temperature_device 'Oxford Cryosystems'
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.594
_oxdiff_exptl_absorpt_empirical_full_min 0.736


_vrf_PLAT307_P2Dy2               
;
PROBLEM: Isolated Metal Atom found in Structure (Unusual)       Dy1A Check 
RESPONSE: 
It appears that a small percentage (around 3%) of the structure has the Dy-Co
complex part pointing in the opposite direction. Although it was possible to
locate the Dy atom (Dy1A), it just was not possible to suitably model all the 
other atoms, hence its apparent isolation.
;
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_P1Dy
_database_code_depnum_ccdc_archive 'CCDC 1565178'
_audit_update_record             
;
2017-07-27 deposited with the CCDC.
2018-10-18 downloaded from the CCDC.
;
_audit_creation_date             2017-03-13
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2017.03.02 svn.r3394 for OlexSys, GUI svn.r5324)
;
#2016ncs0851
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C87 H127 Co Dy N4 O9 P3 Si2'
_chemical_formula_sum            'C87 H127 Co Dy N4 O9 P3 Si2'
_chemical_formula_weight         1743.44
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C60 H88 Co Dy N4 O9 P3 Si2 (C16 H21)2'
_chemical_oxdiff_usercomment     Dy-Por
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   16.1487(3)
_cell_length_b                   19.0993(3)
_cell_length_c                   30.5159(5)
_cell_angle_alpha                98.3820(10)
_cell_angle_beta                 92.0630(10)
_cell_angle_gamma                97.5590(10)
_cell_volume                     9215.9(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    46452
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.2660
_cell_measurement_theta_min      2.3650
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.116
_exptl_absorpt_correction_T_max  0.964
_exptl_absorpt_correction_T_min  0.817
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.9g (Rigaku Oxford Diffraction, 2015)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'pale dark blueish green'
_exptl_crystal_colour_modifier   'pale dark blueish'
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.257
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             3660
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-5 0 -1 0.0670
5 1 1 0.0761
-1 5 -1 0.1320
2 -5 1 0.1215
6 -3 2 0.0599
0 0 -1 0.0168
0 0 1 0.0168

_exptl_crystal_size_max          0.296
_exptl_crystal_size_mid          0.142
_exptl_crystal_size_min          0.034
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-4.9307 0.0002 -0.9968 0.1335 -0.1725 0.0375
4.6953 0.9978 0.9969 -0.1312 0.1607 -0.0733
-1.1166 4.9898 -0.9977 0.0311 -0.0457 -0.1786
2.1149 -4.9898 0.9974 -0.0540 0.0829 0.1712
5.5765 -2.9940 1.9947 -0.1599 0.1946 0.0694
0.0606 -0.0001 -0.9982 0.0192 0.0135 0.0006
-0.0606 0.0001 0.9982 -0.0192 -0.0135 -0.0006

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_av_unetI/netI     0.0395
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            64909
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.560
_diffrn_reflns_theta_min         2.365
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_detector_type            'Rigaku HG Saturn724+ (2x2 bin mode)'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -109.00  21.00   0.50   19.00    --  -19.60 -72.00  60.00  260
  2  ω   -109.00  21.00   0.50   19.00    --  -19.60 -72.00-180.00  260
  3  ω   -109.00  21.00   0.50   19.00    --  -19.60 -72.00 -60.00  260
  4  ω   -109.00  21.00   0.50   19.00    --  -19.60 -72.00 120.00  260
  5  ω    -58.00  70.00   0.50   19.00    --  -19.60  38.00-120.00  256
  6  ω    -58.00  70.00   0.50   19.00    --  -19.60  57.00 -90.00  256
  7  ω    -58.00  70.00   0.50   19.00    --  -19.60  38.00   0.00  256
  8  ω    -60.00  70.00   0.50   19.00    --  -19.60  72.00   0.00  260
  9  ω    -60.00  70.00   0.50   19.00    --  -19.60  72.00 150.00  260
 10  ω    -60.00  70.00   0.50   19.00    --  -19.60  72.00  90.00  260
;
_diffrn_measurement_device       'four-circle κ goniometer'
_diffrn_measurement_device_type  
'Rigaku FRE+ equipped with HF Varimax confocal mirrors and an AFC12 goniometer and HG Saturn 724+ detector'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support 'MiTeGen MicroLoop'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0229165000
_diffrn_orient_matrix_UB_12      -0.0030125000
_diffrn_orient_matrix_UB_13      -0.0206153000
_diffrn_orient_matrix_UB_21      0.0372763000
_diffrn_orient_matrix_UB_22      -0.0030834000
_diffrn_orient_matrix_UB_23      -0.0113008000
_diffrn_orient_matrix_UB_31      -0.0073991000
_diffrn_orient_matrix_UB_32      -0.0376570000
_diffrn_orient_matrix_UB_33      -0.0010239000
_diffrn_radiation_collimation    0.2
_diffrn_radiation_monochromator  'Confocal mirrors, HF Varimax'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_xray_symbol    K-L~3~
_diffrn_source                   'Rotating Anode'
_diffrn_source_current           55.0
_diffrn_source_power             2.475
_diffrn_source_target            Mo
_diffrn_source_type              'Rigaku FRE+'
_diffrn_source_voltage           45.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                57464
_reflns_number_total             64909
_reflns_special_details          
;
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.9g (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.9g (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.9g (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.187
_refine_diff_density_min         -2.050
_refine_diff_density_rms         0.122
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2124
_refine_ls_number_reflns         64909
_refine_ls_number_restraints     5367
_refine_ls_R_factor_all          0.0626
_refine_ls_R_factor_gt           0.0530
_refine_ls_restrained_S_all      1.056
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0564P)²+25.2289P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1236
_refine_ls_wR_factor_ref         0.1267
_refine_special_details          
'The crystal was a non-merohedral twin (44:56 ratio, -180degrees about reciprocal axis 1 0 0). There is disorder involving the phosphine ligands, the cp ring and a t-butyl side-arm. Due to this various geometrical (SAME, SADI, BUMP) and displacement (RIGU, DELU, SIMU) restraints along with displacement constraints (EADP) have been employed.'
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.4440(4)
 0.5560(4)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3. Restrained distances
 C161-C167 \\sim C161-C267
 with sigma of 0.02
 C73-C74 \\sim C73-C74A
 with sigma of 0.02
4. Rigid bond restraints
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
5. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.04 and sigma
for terminal atoms of 0.08
Uanis(P271) = Uanis(O274) = Uanis(C271) = Uanis(C272)
Uanis(P271) = Uanis(O275) = Uanis(C273) = Uanis(C274)
Uanis(P272) = Uanis(O276) = Uanis(C275) = Uanis(C276)
Uanis(P272) = Uanis(O277) = Uanis(C277) = Uanis(C278)
Uanis(P273) = Uanis(O278) = Uanis(C279) = Uanis(C280)
Uanis(P273) = Uanis(O279) = Uanis(C281) = Uanis(C282)
Uanis(O174) = Uanis(C171) = Uanis(C172)
Uanis(O175) = Uanis(C173) = Uanis(C174)
Uanis(O176) = Uanis(C175) = Uanis(C176)
Uanis(O177) = Uanis(C177) = Uanis(C178)
Uanis(O178) = Uanis(C179) = Uanis(C180)
Uanis(O179) = Uanis(C181) = Uanis(C182)
Uanis(C291) = Uanis(C292) = Uanis(C293) = Uanis(C294) = Uanis(C295)
6. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
7. Same fragment restrains
{C67, C68, C69, C70} sigma for 1-2: 0.02, 1-3: 0.04
as
{C167, C168, C169, C170}
{C67, C68, C69, C70} sigma for 1-2: 0.02, 1-3: 0.04
as
{C267, C268, C269, C270}
{P171, P172, P173, O171, O172, O173, O174, O175, O176, O177, O178, O179, C171,
C172, C173, C174, C175, C176, C177, C178, C179, C180, C181, C182} sigma for
1-2: 0.02, 1-3: 0.04
as
{P271, P272, P273, O271, O272, O273, O274, O275, O276, O277, O278, O279, C271,
C272, C273, C274, C275, C276, C277, C278, C279, C280, C281, C282}
{C191, C192, C193, C194, C195} sigma for 1-2: 0.02, 1-3: 0.04
as
{C291, C292, C293, C294, C295}
8. Others
 Sof(C267)=Sof(C268)=Sof(H26A)=Sof(H26B)=Sof(H26C)=Sof(C269)=Sof(H26D)=
 Sof(H26E)=Sof(H26F)=Sof(C270)=Sof(H27A)=Sof(H27B)=Sof(H27C)=1-FVAR(1)
 Sof(C167)=Sof(C168)=Sof(H16J)=Sof(H16K)=Sof(H16L)=Sof(C169)=Sof(H16M)=
 Sof(H16N)=Sof(H16O)=Sof(C170)=Sof(H17A)=Sof(H17B)=Sof(H17C)=FVAR(1)
 Sof(P271)=Sof(P272)=Sof(P273)=Sof(O271)=Sof(O272)=Sof(O273)=Sof(O274)=
 Sof(O275)=Sof(O276)=Sof(O277)=Sof(O278)=Sof(O279)=Sof(C271)=Sof(H27D)=
 Sof(H27E)=Sof(C272)=Sof(H27F)=Sof(H27G)=Sof(H27H)=Sof(C273)=Sof(H27I)=
 Sof(H27J)=Sof(C274)=Sof(H27K)=Sof(H27L)=Sof(H27M)=Sof(C275)=Sof(H27N)=
 Sof(H27O)=Sof(C276)=Sof(H27P)=Sof(H27Q)=Sof(H27R)=Sof(C277)=Sof(H27S)=
 Sof(H27T)=Sof(C278)=Sof(H27U)=Sof(H27V)=Sof(H27W)=Sof(C279)=Sof(H27X)=
 Sof(H27Y)=Sof(C280)=Sof(H28A)=Sof(H28B)=Sof(H28C)=Sof(C281)=Sof(H28D)=
 Sof(H28E)=Sof(C282)=Sof(H28F)=Sof(H28G)=Sof(H28H)=1-FVAR(2)
 Sof(P171)=Sof(P172)=Sof(P173)=Sof(O171)=Sof(O172)=Sof(O173)=Sof(O174)=
 Sof(O175)=Sof(O176)=Sof(O177)=Sof(O178)=Sof(O179)=Sof(C171)=Sof(H17D)=
 Sof(H17E)=Sof(C172)=Sof(H17F)=Sof(H17G)=Sof(H17H)=Sof(C173)=Sof(H17I)=
 Sof(H17J)=Sof(C174)=Sof(H17K)=Sof(H17L)=Sof(H17M)=Sof(C175)=Sof(H17N)=
 Sof(H17O)=Sof(C176)=Sof(H17P)=Sof(H17Q)=Sof(H17R)=Sof(C177)=Sof(H17S)=
 Sof(H17T)=Sof(C178)=Sof(H17U)=Sof(H17V)=Sof(H17W)=Sof(C179)=Sof(H17X)=
 Sof(H17Y)=Sof(C180)=Sof(H18A)=Sof(H18B)=Sof(H18C)=Sof(C181)=Sof(H18D)=
 Sof(H18E)=Sof(C182)=Sof(H18F)=Sof(H18G)=Sof(H18H)=FVAR(2)
 Sof(C291)=Sof(H291)=Sof(C292)=Sof(H292)=Sof(C293)=Sof(H293)=Sof(C294)=
 Sof(H294)=Sof(C295)=Sof(H295)=1-FVAR(3)
 Sof(C191)=Sof(H191)=Sof(C192)=Sof(H192)=Sof(C193)=Sof(H193)=Sof(C194)=
 Sof(H194)=Sof(C195)=Sof(H195)=FVAR(3)
 Sof(C75A)=Sof(H75C)=Sof(H75D)=Sof(C76A)=Sof(H76D)=Sof(H76E)=Sof(H76F)=1-FVAR(4)
 Sof(C75)=Sof(H75A)=Sof(H75B)=Sof(C76)=Sof(H76A)=Sof(H76B)=Sof(H76C)=FVAR(4)
 Sof(H73C)=Sof(H73D)=Sof(C74A)=Sof(H74D)=Sof(H74E)=Sof(H74F)=1-FVAR(5)
 Sof(H73A)=Sof(H73B)=Sof(C74)=Sof(H74A)=Sof(H74B)=Sof(H74C)=FVAR(5)
9.a Ternary CH refined with riding coordinates:
 C123(H123), C126(H126), C129(H129), C134(H134), C137(H137), C140(H140),
 C23(H23), C26(H26), C29(H29), C34(H34), C37(H37), C40(H40), C291(H291),
 C292(H292)
9.b Secondary CH2 refined with riding coordinates:
 C171(H17D,H17E), C173(H17I,H17J), C175(H17N,H17O), C177(H17S,H17T), C179(H17X,
 H17Y), C181(H18D,H18E), C271(H27D,H27E), C273(H27I,H27J), C275(H27N,H27O),
 C277(H27S,H27T), C279(H27X,H27Y), C281(H28D,H28E), C71(H71A,H71B), C73(H73A,
 H73B), C73(H73C,H73D), C75(H75A,H75B), C77(H77A,H77B), C79(H79A,H79B),
 C81(H81A,H81B), C75A(H75C,H75D)
9.c Aromatic/amide H refined with riding coordinates:
 C102(H102), C103(H103), C107(H107), C108(H108), C112(H112), C113(H113),
 C117(H117), C118(H118), C144(H144), C146(H146), C148(H148), C158(H158),
 C160(H160), C162(H162), C191(H191), C192(H192), C193(H193), C194(H194),
 C195(H195), C2(H2), C3(H3), C7(H7), C8(H8), C12(H12), C13(H13), C17(H17),
 C18(H18), C44(H44), C46(H46), C48(H48), C58(H58), C60(H60), C62(H62), C91(H91),
  C92(H92), C93(H93), C94(H94), C95(H95), C293(H293), C294(H294), C295(H295)
9.d Idealised Me refined as rotating group:
 C124(H12A,H12B,H12C), C125(H12D,H12E,H12F), C127(H12G,H12H,H12I), C128(H12J,
 H12K,H12L), C130(H13A,H13B,H13C), C131(H13D,H13E,H13F), C135(H13G,H13H,H13I),
 C136(H13J,H13K,H13L), C138(H13M,H13N,H13O), C139(H13P,H13Q,H13R), C141(H14A,
 H14B,H14C), C142(H14D,H14E,H14F), C150(H15A,H15B,H15C), C151(H15D,H15E,H15F),
 C152(H15G,H15H,H15I), C154(H15J,H15K,H15L), C155(H15M,H15N,H15O), C156(H15P,
 H15Q,H15R), C164(H16A,H16B,H16C), C165(H16D,H16E,H16F), C166(H16G,H16H,H16I),
 C168(H16J,H16K,H16L), C169(H16M,H16N,H16O), C170(H17A,H17B,H17C), C172(H17F,
 H17G,H17H), C174(H17K,H17L,H17M), C176(H17P,H17Q,H17R), C178(H17U,H17V,H17W),
 C180(H18A,H18B,H18C), C182(H18F,H18G,H18H), C268(H26A,H26B,H26C), C269(H26D,
 H26E,H26F), C270(H27A,H27B,H27C), C272(H27F,H27G,H27H), C274(H27K,H27L,H27M),
 C276(H27P,H27Q,H27R), C278(H27U,H27V,H27W), C280(H28A,H28B,H28C), C282(H28F,
 H28G,H28H), C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C27(H27Z,H,HA), C28(H28I,
 H28J,H28K), C30(H30A,H30B,H30C), C31(H31A,H31B,H31C), C35(H35A,H35B,H35C),
 C36(H36A,H36B,H36C), C38(H38A,H38B,H38C), C39(H39A,H39B,H39C), C41(H41A,H41B,
 H41C), C42(H42A,H42B,H42C), C50(H50A,H50B,H50C), C51(H51A,H51B,H51C), C52(H52A,
 H52B,H52C), C54(H54A,H54B,H54C), C55(H55A,H55B,H55C), C56(H56A,H56B,H56C),
 C64(H64A,H64B,H64C), C65(H65A,H65B,H65C), C66(H66A,H66B,H66C), C68(H68A,H68B,
 H68C), C69(H69A,H69B,H69C), C70(H70A,H70B,H70C), C72(H72A,H72B,H72C), C76(H76A,
 H76B,H76C), C78(H78A,H78B,H78C), C80(H80A,H80B,H80C), C82(H82A,H82B,H82C),
 C76A(H76D,H76E,H76F), C74(H74A,H74B,H74C), C74A(H74D,H74E,H74F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy21 Dy 0.71139(2) 0.30559(2) 0.78648(2) 0.01148(5) Uani 1 1 d . U . . .
Co21 Co 0.71222(5) 0.52677(4) 0.83065(3) 0.02449(16) Uani 1 1 d . U . . .
Si21 Si 0.89917(9) 0.25371(9) 0.54079(5) 0.0219(3) Uani 1 1 d . U . . .
Si22 Si 0.53254(10) 0.18527(10) 1.00700(5) 0.0314(4) Uani 1 1 d . U . . .
N101 N 0.6652(2) 0.2457(2) 0.71320(13) 0.0122(8) Uani 1 1 d . U . . .
N102 N 0.8345(2) 0.2693(2) 0.75436(13) 0.0137(8) Uani 1 1 d . U . . .
N103 N 0.7668(2) 0.2384(2) 0.83800(12) 0.0121(7) Uani 1 1 d . U . . .
N104 N 0.5978(3) 0.2170(2) 0.79751(14) 0.0157(8) Uani 1 1 d . U . . .
C101 C 0.5819(3) 0.2284(3) 0.69915(17) 0.0162(10) Uani 1 1 d . U . . .
C102 C 0.5736(3) 0.2281(3) 0.65186(17) 0.0219(11) Uani 1 1 d . U . . .
H102 H 0.5228 0.2182 0.6340 0.026 Uiso 1 1 calc R . . . .
C103 C 0.6506(3) 0.2443(3) 0.63775(17) 0.0220(11) Uani 1 1 d . U . . .
H103 H 0.6645 0.2481 0.6081 0.026 Uiso 1 1 calc R . . . .
C104 C 0.7083(3) 0.2550(3) 0.67626(15) 0.0158(9) Uani 1 1 d . U . . .
C105 C 0.7955(3) 0.2698(2) 0.67538(15) 0.0128(9) Uani 1 1 d . U . . .
C106 C 0.8540(3) 0.2766(2) 0.71214(16) 0.0128(9) Uani 1 1 d . U . . .
C107 C 0.9442(3) 0.2867(3) 0.70942(16) 0.0165(10) Uani 1 1 d . U . . .
H107 H 0.9742 0.2948 0.6840 0.020 Uiso 1 1 calc R . . . .
C108 C 0.9772(3) 0.2821(3) 0.75008(16) 0.0165(10) Uani 1 1 d . U . . .
H108 H 1.0350 0.2857 0.7584 0.020 Uiso 1 1 calc R . . . .
C109 C 0.9088(3) 0.2708(2) 0.77845(16) 0.0141(9) Uani 1 1 d . U . . .
C110 C 0.9166(3) 0.2586(3) 0.82248(16) 0.0141(9) Uani 1 1 d . U . . .
C111 C 0.8511(3) 0.2421(3) 0.84969(16) 0.0143(9) Uani 1 1 d . U . . .
C112 C 0.8618(3) 0.2275(3) 0.89446(16) 0.0181(10) Uani 1 1 d . U . . .
H112 H 0.9134 0.2270 0.9103 0.022 Uiso 1 1 calc R . . . .
C113 C 0.7839(3) 0.2145(3) 0.90965(16) 0.0202(10) Uani 1 1 d . U . . .
H113 H 0.7709 0.2037 0.9382 0.024 Uiso 1 1 calc R . . . .
C114 C 0.7250(3) 0.2203(3) 0.87420(15) 0.0151(9) Uani 1 1 d . U . . .
C115 C 0.6367(3) 0.2059(3) 0.87499(16) 0.0164(9) Uani 1 1 d . U . . .
C116 C 0.5788(3) 0.2005(3) 0.83818(17) 0.0172(10) Uani 1 1 d . U . . .
C117 C 0.4909(3) 0.1739(3) 0.83812(19) 0.0233(11) Uani 1 1 d . U . . .
H117 H 0.4619 0.1581 0.8622 0.028 Uiso 1 1 calc R . . . .
C118 C 0.4584(3) 0.1757(3) 0.79728(19) 0.0244(11) Uani 1 1 d . U . . .
H118 H 0.4015 0.1617 0.7871 0.029 Uiso 1 1 calc R . . . .
C119 C 0.5252(3) 0.2030(3) 0.77169(17) 0.0184(10) Uani 1 1 d . U . . .
C120 C 0.5163(3) 0.2115(3) 0.72656(17) 0.0168(9) Uani 1 1 d . U . . .
C121 C 0.8292(3) 0.2712(3) 0.63290(16) 0.0177(10) Uani 1 1 d . U . . .
C122 C 0.8569(3) 0.2675(3) 0.59644(17) 0.0203(10) Uani 1 1 d . U . . .
C123 C 0.8718(4) 0.3259(3) 0.50836(19) 0.0305(12) Uani 1 1 d . U . . .
H123 H 0.8160 0.3078 0.4927 0.037 Uiso 1 1 calc R . . . .
C124 C 0.8625(5) 0.3959(4) 0.5378(2) 0.0438(17) Uani 1 1 d . U . . .
H12A H 0.8178 0.3875 0.5581 0.066 Uiso 1 1 calc GR . . . .
H12B H 0.8485 0.4309 0.5193 0.066 Uiso 1 1 calc GR . . . .
H12C H 0.9153 0.4144 0.5550 0.066 Uiso 1 1 calc GR . . . .
C125 C 0.9329(4) 0.3400(4) 0.4727(2) 0.0386(15) Uani 1 1 d . U . . .
H12D H 0.9887 0.3577 0.4867 0.058 Uiso 1 1 calc GR . . . .
H12E H 0.9143 0.3759 0.4561 0.058 Uiso 1 1 calc GR . . . .
H12F H 0.9348 0.2956 0.4524 0.058 Uiso 1 1 calc GR . . . .
C126 C 1.0163(3) 0.2570(3) 0.54846(18) 0.0277(12) Uani 1 1 d . U . . .
H126 H 1.0402 0.3087 0.5527 0.033 Uiso 1 1 calc R . . . .
C127 C 1.0572(4) 0.2212(4) 0.5084(2) 0.0371(15) Uani 1 1 d . U . . .
H12G H 1.0349 0.1703 0.5024 0.056 Uiso 1 1 calc GR . . . .
H12H H 1.1179 0.2266 0.5146 0.056 Uiso 1 1 calc GR . . . .
H12I H 1.0451 0.2437 0.4824 0.056 Uiso 1 1 calc GR . . . .
C128 C 1.0446(4) 0.2282(4) 0.5900(2) 0.0420(17) Uani 1 1 d . U . . .
H12J H 1.0233 0.2545 0.6162 0.063 Uiso 1 1 calc GR . . . .
H12K H 1.1059 0.2344 0.5928 0.063 Uiso 1 1 calc GR . . . .
H12L H 1.0228 0.1774 0.5875 0.063 Uiso 1 1 calc GR . . . .
C129 C 0.8469(4) 0.1637(3) 0.51190(18) 0.0271(11) Uani 1 1 d . U . . .
H129 H 0.8681 0.1565 0.4814 0.033 Uiso 1 1 calc R . . . .
C130 C 0.8681(4) 0.1019(3) 0.5348(2) 0.0372(14) Uani 1 1 d . U . . .
H13A H 0.9289 0.1023 0.5364 0.056 Uiso 1 1 calc GR . . . .
H13B H 0.8412 0.0566 0.5178 0.056 Uiso 1 1 calc GR . . . .
H13C H 0.8479 0.1072 0.5648 0.056 Uiso 1 1 calc GR . . . .
C131 C 0.7515(4) 0.1603(4) 0.5067(2) 0.0429(16) Uani 1 1 d . U . . .
H13D H 0.7283 0.1639 0.5361 0.064 Uiso 1 1 calc GR . . . .
H13E H 0.7276 0.1149 0.4888 0.064 Uiso 1 1 calc GR . . . .
H13F H 0.7378 0.2000 0.4920 0.064 Uiso 1 1 calc GR . . . .
C132 C 0.6028(3) 0.1942(3) 0.91679(18) 0.0229(11) Uani 1 1 d . U . . .
C133 C 0.5743(3) 0.1871(3) 0.95203(18) 0.0273(12) Uani 1 1 d . U . . .
C134 C 0.6219(4) 0.1718(4) 1.0455(2) 0.0428(15) Uani 1 1 d . U . . .
H134 H 0.6002 0.1702 1.0756 0.051 Uiso 1 1 calc R . . . .
C135 C 0.6935(5) 0.2337(5) 1.0493(2) 0.060(2) Uani 1 1 d . U . . .
H13G H 0.7152 0.2370 1.0200 0.090 Uiso 1 1 calc GR . . . .
H13H H 0.7384 0.2252 1.0696 0.090 Uiso 1 1 calc GR . . . .
H13I H 0.6730 0.2784 1.0609 0.090 Uiso 1 1 calc GR . . . .
C136 C 0.6541(5) 0.1014(5) 1.0304(2) 0.0528(18) Uani 1 1 d . U . . .
H13J H 0.6094 0.0618 1.0314 0.079 Uiso 1 1 calc GR . . . .
H13K H 0.7018 0.0969 1.0500 0.079 Uiso 1 1 calc GR . . . .
H13L H 0.6718 0.1003 0.9999 0.079 Uiso 1 1 calc GR . . . .
C137 C 0.4473(4) 0.1076(4) 1.0027(2) 0.0376(14) Uani 1 1 d . U . . .
H137 H 0.4746 0.0634 0.9964 0.045 Uiso 1 1 calc R . . . .
C138 C 0.4028(5) 0.1032(6) 1.0467(3) 0.071(3) Uani 1 1 d . U . . .
H13M H 0.4441 0.1165 1.0718 0.106 Uiso 1 1 calc GR . . . .
H13N H 0.3753 0.0543 1.0467 0.106 Uiso 1 1 calc GR . . . .
H13O H 0.3608 0.1361 1.0493 0.106 Uiso 1 1 calc GR . . . .
C139 C 0.3815(4) 0.1043(4) 0.9648(2) 0.0418(16) Uani 1 1 d . U . . .
H13P H 0.3501 0.1449 0.9708 0.063 Uiso 1 1 calc GR . . . .
H13Q H 0.3430 0.0596 0.9624 0.063 Uiso 1 1 calc GR . . . .
H13R H 0.4093 0.1064 0.9369 0.063 Uiso 1 1 calc GR . . . .
C140 C 0.5004(5) 0.2752(4) 1.0237(3) 0.0534(18) Uani 1 1 d . U . . .
H140 H 0.5511 0.3091 1.0194 0.064 Uiso 1 1 calc R . . . .
C141 C 0.4853(8) 0.2938(6) 1.0734(3) 0.093(3) Uani 1 1 d . U . . .
H14A H 0.4325 0.2667 1.0799 0.140 Uiso 1 1 calc GR . . . .
H14B H 0.4824 0.3451 1.0806 0.140 Uiso 1 1 calc GR . . . .
H14C H 0.5313 0.2813 1.0912 0.140 Uiso 1 1 calc GR . . . .
C142 C 0.4318(5) 0.2952(5) 0.9936(3) 0.068(2) Uani 1 1 d . U . . .
H14D H 0.4434 0.2813 0.9625 0.102 Uiso 1 1 calc GR . . . .
H14E H 0.4308 0.3469 0.9995 0.102 Uiso 1 1 calc GR . . . .
H14F H 0.3774 0.2702 0.9996 0.102 Uiso 1 1 calc GR . . . .
C143 C 1.0041(3) 0.2629(3) 0.84219(15) 0.0138(9) Uani 1 1 d . U . . .
C144 C 1.0443(3) 0.3282(3) 0.86442(16) 0.0155(9) Uani 1 1 d . U . . .
H144 H 1.0160 0.3690 0.8665 0.019 Uiso 1 1 calc R . . . .
C145 C 1.1251(3) 0.3348(3) 0.88361(16) 0.0177(10) Uani 1 1 d . U . . .
C146 C 1.1654(3) 0.2741(3) 0.87890(16) 0.0178(10) Uani 1 1 d . U . . .
H146 H 1.2209 0.2780 0.8913 0.021 Uiso 1 1 calc R . . . .
C147 C 1.1276(3) 0.2081(3) 0.85678(16) 0.0162(9) Uani 1 1 d . U . . .
C148 C 1.0459(3) 0.2037(3) 0.83861(16) 0.0150(9) Uani 1 1 d . U . . .
H148 H 1.0187 0.1592 0.8235 0.018 Uiso 1 1 calc R . . . .
C149 C 1.1704(3) 0.4074(3) 0.90671(18) 0.0245(11) Uani 1 1 d . U . . .
C150 C 1.1092(4) 0.4607(3) 0.9210(2) 0.0422(16) Uani 1 1 d . U . . .
H15A H 1.0798 0.4715 0.8947 0.063 Uiso 1 1 calc GR . . . .
H15B H 1.1404 0.5049 0.9374 0.063 Uiso 1 1 calc GR . . . .
H15C H 1.0685 0.4397 0.9402 0.063 Uiso 1 1 calc GR . . . .
C151 C 1.2297(6) 0.4383(4) 0.8751(3) 0.061(2) Uani 1 1 d . U . . .
H15D H 1.2682 0.4042 0.8655 0.091 Uiso 1 1 calc GR . . . .
H15E H 1.2617 0.4830 0.8902 0.091 Uiso 1 1 calc GR . . . .
H15F H 1.1977 0.4477 0.8492 0.091 Uiso 1 1 calc GR . . . .
C152 C 1.2201(4) 0.3988(3) 0.9488(2) 0.0402(15) Uani 1 1 d . U . . .
H15G H 1.1817 0.3798 0.9697 0.060 Uiso 1 1 calc GR . . . .
H15H H 1.2497 0.4454 0.9625 0.060 Uiso 1 1 calc GR . . . .
H15I H 1.2607 0.3658 0.9412 0.060 Uiso 1 1 calc GR . . . .
C153 C 1.1724(3) 0.1414(3) 0.85225(18) 0.0211(10) Uani 1 1 d . U . . .
C154 C 1.2655(4) 0.1595(3) 0.8662(2) 0.0343(14) Uani 1 1 d . U . . .
H15J H 1.2912 0.1963 0.8497 0.051 Uiso 1 1 calc GR . . . .
H15K H 1.2927 0.1165 0.8597 0.051 Uiso 1 1 calc GR . . . .
H15L H 1.2723 0.1773 0.8981 0.051 Uiso 1 1 calc GR . . . .
C155 C 1.1317(4) 0.0898(3) 0.8818(2) 0.0363(14) Uani 1 1 d . U . . .
H15M H 1.1404 0.1120 0.9130 0.054 Uiso 1 1 calc GR . . . .
H15N H 1.1571 0.0456 0.8775 0.054 Uiso 1 1 calc GR . . . .
H15O H 1.0716 0.0788 0.8738 0.054 Uiso 1 1 calc GR . . . .
C156 C 1.1647(5) 0.1038(4) 0.8038(2) 0.0416(16) Uani 1 1 d . U . . .
H15P H 1.1055 0.0891 0.7945 0.062 Uiso 1 1 calc GR . . . .
H15Q H 1.1937 0.0615 0.8014 0.062 Uiso 1 1 calc GR . . . .
H15R H 1.1900 0.1367 0.7847 0.062 Uiso 1 1 calc GR . . . .
C157 C 0.4287(3) 0.2035(3) 0.70701(17) 0.0181(10) Uani 1 1 d . U . . .
C158 C 0.3780(3) 0.2545(3) 0.72275(17) 0.0187(10) Uani 1 1 d . U . . .
H158 H 0.3999 0.2919 0.7458 0.022 Uiso 1 1 calc R . . . .
C159 C 0.2962(3) 0.2522(3) 0.70575(17) 0.0203(10) Uani 1 1 d . U . . .
C160 C 0.2665(3) 0.1963(3) 0.6724(2) 0.0321(13) Uani 1 1 d . U . . .
H160 H 0.2110 0.1936 0.6601 0.039 Uiso 1 1 calc R . . . .
C161 C 0.3145(4) 0.1436(4) 0.6559(2) 0.0416(16) Uani 1 1 d D U . . .
C162 C 0.3961(3) 0.1484(3) 0.6743(2) 0.0312(13) Uani 1 1 d . U . . .
H162 H 0.4296 0.1128 0.6640 0.037 Uiso 1 1 calc R . . . .
C163 C 0.2445(3) 0.3105(3) 0.72436(17) 0.0213(10) Uani 1 1 d . U . . .
C164 C 0.2955(4) 0.3843(3) 0.7297(2) 0.0305(13) Uani 1 1 d . U . . .
H16A H 0.3441 0.3862 0.7503 0.046 Uiso 1 1 calc GR . . . .
H16B H 0.2607 0.4203 0.7416 0.046 Uiso 1 1 calc GR . . . .
H16C H 0.3145 0.3942 0.7008 0.046 Uiso 1 1 calc GR . . . .
C165 C 0.2162(4) 0.2948(4) 0.77008(18) 0.0321(13) Uani 1 1 d . U . . .
H16D H 0.1795 0.2490 0.7664 0.048 Uiso 1 1 calc GR . . . .
H16E H 0.1858 0.3329 0.7835 0.048 Uiso 1 1 calc GR . . . .
H16F H 0.2653 0.2925 0.7894 0.048 Uiso 1 1 calc GR . . . .
C166 C 0.1664(3) 0.3100(3) 0.69403(17) 0.0222(11) Uani 1 1 d . U . . .
H16G H 0.1833 0.3171 0.6643 0.033 Uiso 1 1 calc GR . . . .
H16H H 0.1355 0.3486 0.7062 0.033 Uiso 1 1 calc GR . . . .
H16I H 0.1305 0.2640 0.6923 0.033 Uiso 1 1 calc GR . . . .
C191 C 0.6390(6) 0.6068(5) 0.8497(4) 0.040(2) Uani 0.736(14) 1 d D U P A 1
H191 H 0.5810 0.5995 0.8546 0.048 Uiso 0.736(14) 1 calc R . P A 1
C192 C 0.6733(8) 0.6178(5) 0.8096(4) 0.042(2) Uani 0.736(14) 1 d D U P A 1
H192 H 0.6428 0.6192 0.7826 0.050 Uiso 0.736(14) 1 calc R . P A 1
C193 C 0.7600(7) 0.6265(5) 0.8159(4) 0.040(2) Uani 0.736(14) 1 d D U P A 1
H193 H 0.7988 0.6341 0.7939 0.048 Uiso 0.736(14) 1 calc R . P A 1
C194 C 0.7804(8) 0.6220(6) 0.8600(3) 0.040(2) Uani 0.736(14) 1 d D U P A 1
H194 H 0.8355 0.6272 0.8731 0.048 Uiso 0.736(14) 1 calc R . P A 1
C195 C 0.7058(9) 0.6084(4) 0.8824(3) 0.040(2) Uani 0.736(14) 1 d D U P A 1
H195 H 0.7010 0.6018 0.9125 0.048 Uiso 0.736(14) 1 calc R . P A 1
C167 C 0.2882(8) 0.0912(6) 0.6103(4) 0.032(3) Uani 0.466(11) 1 d D U P B 1
C168 C 0.2059(9) 0.1032(11) 0.5873(6) 0.035(4) Uani 0.466(11) 1 d D U P B 1
H16J H 0.1610 0.1001 0.6080 0.052 Uiso 0.466(11) 1 calc GR . P B 1
H16K H 0.1915 0.0666 0.5612 0.052 Uiso 0.466(11) 1 calc GR . P B 1
H16L H 0.2127 0.1506 0.5781 0.052 Uiso 0.466(11) 1 calc GR . P B 1
C169 C 0.3540(8) 0.0867(8) 0.5749(5) 0.043(4) Uani 0.466(11) 1 d D U P B 1
H16M H 0.3685 0.1338 0.5659 0.065 Uiso 0.466(11) 1 calc GR . P B 1
H16N H 0.3311 0.0521 0.5490 0.065 Uiso 0.466(11) 1 calc GR . P B 1
H16O H 0.4043 0.0715 0.5873 0.065 Uiso 0.466(11) 1 calc GR . P B 1
C170 C 0.2710(10) 0.0197(7) 0.6271(5) 0.045(4) Uani 0.466(11) 1 d D U P B 1
H17A H 0.3242 0.0031 0.6341 0.068 Uiso 0.466(11) 1 calc GR . P B 1
H17B H 0.2385 -0.0155 0.6042 0.068 Uiso 0.466(11) 1 calc GR . P B 1
H17C H 0.2393 0.0254 0.6539 0.068 Uiso 0.466(11) 1 calc GR . P B 1
P171 P 0.67246(10) 0.47459(8) 0.76449(5) 0.0197(3) Uani 0.8905(19) 1 d D U P A
1
P172 P 0.82369(9) 0.47264(8) 0.83324(5) 0.0192(3) Uani 0.8905(19) 1 d D U P A 1
P173 P 0.63980(10) 0.44420(8) 0.85988(5) 0.0199(3) Uani 0.8905(19) 1 d D U P A
1
O171 O 0.6835(3) 0.3974(2) 0.75053(14) 0.0291(10) Uani 0.8905(19) 1 d D U P A 1
O172 O 0.8151(3) 0.3934(2) 0.81865(15) 0.0246(9) Uani 0.8905(19) 1 d D U P A 1
O173 O 0.6406(3) 0.3668(2) 0.84065(14) 0.0249(9) Uani 0.8905(19) 1 d D U P A 1
O174 O 0.5760(3) 0.4839(3) 0.75854(15) 0.0322(8) Uani 0.8905(19) 1 d D U P A 1
O175 O 0.7090(4) 0.5179(3) 0.72690(17) 0.0416(9) Uani 0.8905(19) 1 d D U P A 1
O176 O 0.8919(3) 0.5125(3) 0.80489(17) 0.0348(8) Uani 0.8905(19) 1 d D U P A 1
O177 O 0.8726(3) 0.4886(3) 0.88113(15) 0.0330(8) Uani 0.8905(19) 1 d D U P A 1
O178 O 0.6684(4) 0.4571(3) 0.91201(19) 0.0396(10) Uani 0.8905(19) 1 d D U P A 1
O179 O 0.5427(3) 0.4569(3) 0.86291(18) 0.0343(8) Uani 0.8905(19) 1 d D U P A 1
C171 C 0.5301(5) 0.4595(4) 0.7162(2) 0.0322(8) Uani 0.8905(19) 1 d D U P A 1
H17D H 0.4929 0.4144 0.7174 0.039 Uiso 0.8905(19) 1 calc R . P A 1
H17E H 0.5694 0.4508 0.6925 0.039 Uiso 0.8905(19) 1 calc R . P A 1
C172 C 0.4791(4) 0.5171(4) 0.7069(2) 0.0322(8) Uani 0.8905(19) 1 d D U P A 1
H17F H 0.4512 0.5040 0.6772 0.048 Uiso 0.8905(19) 1 calc GR . P A 1
H17G H 0.5160 0.5625 0.7084 0.048 Uiso 0.8905(19) 1 calc GR . P A 1
H17H H 0.4369 0.5222 0.7291 0.048 Uiso 0.8905(19) 1 calc GR . P A 1
C173 C 0.7880(5) 0.5098(4) 0.7071(3) 0.0416(9) Uani 0.8905(19) 1 d D U P A 1
H17I H 0.8171 0.4763 0.7219 0.050 Uiso 0.8905(19) 1 calc R . P A 1
H17J H 0.8242 0.5565 0.7110 0.050 Uiso 0.8905(19) 1 calc R . P A 1
C174 C 0.7725(6) 0.4816(4) 0.6589(2) 0.0416(9) Uani 0.8905(19) 1 d D U P A 1
H17K H 0.7358 0.5105 0.6454 0.062 Uiso 0.8905(19) 1 calc GR . P A 1
H17L H 0.7457 0.4319 0.6552 0.062 Uiso 0.8905(19) 1 calc GR . P A 1
H17M H 0.8258 0.4841 0.6445 0.062 Uiso 0.8905(19) 1 calc GR . P A 1
C175 C 0.9727(5) 0.4877(4) 0.8011(2) 0.0348(8) Uani 0.8905(19) 1 d D U P A 1
H17N H 1.0112 0.5127 0.8262 0.042 Uiso 0.8905(19) 1 calc R . P A 1
H17O H 0.9666 0.4358 0.8025 0.042 Uiso 0.8905(19) 1 calc R . P A 1
C176 C 1.0074(4) 0.5012(4) 0.7599(3) 0.0348(8) Uani 0.8905(19) 1 d D U P A 1
H17P H 0.9736 0.4710 0.7352 0.052 Uiso 0.8905(19) 1 calc GR . P A 1
H17Q H 1.0650 0.4903 0.7595 0.052 Uiso 0.8905(19) 1 calc GR . P A 1
H17R H 1.0071 0.5516 0.7570 0.052 Uiso 0.8905(19) 1 calc GR . P A 1
C177 C 0.8624(5) 0.4365(4) 0.9113(3) 0.0330(8) Uani 0.8905(19) 1 d D U P A 1
H17S H 0.9051 0.4038 0.9067 0.040 Uiso 0.8905(19) 1 calc R . P A 1
H17T H 0.8063 0.4078 0.9060 0.040 Uiso 0.8905(19) 1 calc R . P A 1
C178 C 0.8723(5) 0.4766(4) 0.9580(2) 0.0330(8) Uani 0.8905(19) 1 d D U P A 1
H17U H 0.8293 0.5082 0.9624 0.049 Uiso 0.8905(19) 1 calc GR . P A 1
H17V H 0.9278 0.5050 0.9629 0.049 Uiso 0.8905(19) 1 calc GR . P A 1
H17W H 0.8662 0.4424 0.9791 0.049 Uiso 0.8905(19) 1 calc GR . P A 1
C179 C 0.6286(5) 0.4115(5) 0.9410(3) 0.0396(10) Uani 0.8905(19) 1 d D U P A 1
H17X H 0.6707 0.3894 0.9566 0.047 Uiso 0.8905(19) 1 calc R . P A 1
H17Y H 0.5877 0.3732 0.9239 0.047 Uiso 0.8905(19) 1 calc R . P A 1
C180 C 0.5851(5) 0.4594(4) 0.9734(2) 0.0396(10) Uani 0.8905(19) 1 d D U P A 1
H18A H 0.5402 0.4773 0.9577 0.059 Uiso 0.8905(19) 1 calc GR . P A 1
H18B H 0.6255 0.4999 0.9877 0.059 Uiso 0.8905(19) 1 calc GR . P A 1
H18C H 0.5614 0.4324 0.9960 0.059 Uiso 0.8905(19) 1 calc GR . P A 1
C181 C 0.4771(4) 0.4105(4) 0.8365(3) 0.0343(8) Uani 0.8905(19) 1 d D U P A 1
H18D H 0.5002 0.3865 0.8096 0.041 Uiso 0.8905(19) 1 calc R . P A 1
H18E H 0.4345 0.4389 0.8269 0.041 Uiso 0.8905(19) 1 calc R . P A 1
C182 C 0.4366(4) 0.3550(4) 0.8624(2) 0.0343(8) Uani 0.8905(19) 1 d D U P A 1
H18F H 0.3853 0.3299 0.8461 0.051 Uiso 0.8905(19) 1 calc GR . P A 1
H18G H 0.4229 0.3785 0.8914 0.051 Uiso 0.8905(19) 1 calc GR . P A 1
H18H H 0.4753 0.3208 0.8664 0.051 Uiso 0.8905(19) 1 calc GR . P A 1
C267 C 0.2700(8) 0.0737(6) 0.6272(5) 0.042(3) Uani 0.534(11) 1 d D U P B 2
C268 C 0.3316(9) 0.0221(7) 0.6132(5) 0.056(4) Uani 0.534(11) 1 d D U P B 2
H26A H 0.3769 0.0462 0.5980 0.084 Uiso 0.534(11) 1 calc GR . P B 2
H26B H 0.3026 -0.0192 0.5930 0.084 Uiso 0.534(11) 1 calc GR . P B 2
H26C H 0.3549 0.0060 0.6395 0.084 Uiso 0.534(11) 1 calc GR . P B 2
C269 C 0.1968(9) 0.0347(8) 0.6487(5) 0.061(4) Uani 0.534(11) 1 d D U P B 2
H26D H 0.2183 0.0145 0.6739 0.092 Uiso 0.534(11) 1 calc GR . P B 2
H26E H 0.1668 -0.0038 0.6269 0.092 Uiso 0.534(11) 1 calc GR . P B 2
H26F H 0.1586 0.0686 0.6592 0.092 Uiso 0.534(11) 1 calc GR . P B 2
C270 C 0.2364(12) 0.1009(11) 0.5864(6) 0.057(5) Uani 0.534(11) 1 d D U P B 2
H27A H 0.1979 0.1353 0.5955 0.085 Uiso 0.534(11) 1 calc GR . P B 2
H27B H 0.2067 0.0607 0.5657 0.085 Uiso 0.534(11) 1 calc GR . P B 2
H27C H 0.2831 0.1244 0.5718 0.085 Uiso 0.534(11) 1 calc GR . P B 2
P271 P 0.7805(8) 0.4874(6) 0.7793(4) 0.022(2) Uani 0.1095(19) 1 d D U P A 2
P272 P 0.7340(7) 0.4586(6) 0.8715(4) 0.0190(18) Uani 0.1095(19) 1 d D U P A 2
P273 P 0.5914(7) 0.4462(6) 0.8016(4) 0.0203(19) Uani 0.1095(19) 1 d D U P A 2
O271 O 0.7903(17) 0.4098(11) 0.7728(9) 0.018(4) Uani 0.1095(19) 1 d D U P A 2
O272 O 0.7180(17) 0.3811(10) 0.8568(8) 0.016(3) Uani 0.1095(19) 1 d D U P A 2
O273 O 0.6081(16) 0.3748(12) 0.7782(9) 0.017(4) Uani 0.1095(19) 1 d D U P A 2
O274 O 0.753(2) 0.5136(16) 0.7337(8) 0.022(2) Uani 0.1095(19) 1 d D U P A 2
O275 O 0.8730(14) 0.5303(16) 0.7907(12) 0.022(2) Uani 0.1095(19) 1 d D U P A 2
O276 O 0.8300(14) 0.4895(15) 0.8862(9) 0.0190(18) Uani 0.1095(19) 1 d D U P A 2
O277 O 0.684(2) 0.4735(19) 0.9146(11) 0.0190(18) Uani 0.1095(19) 1 d D U P A 2
O278 O 0.5368(17) 0.4367(18) 0.8456(8) 0.0203(19) Uani 0.1095(19) 1 d D U P A 2
O279 O 0.5204(17) 0.4723(16) 0.7711(8) 0.0203(19) Uani 0.1095(19) 1 d D U P A 2
C271 C 0.798(3) 0.480(2) 0.6968(10) 0.022(2) Uani 0.1095(19) 1 d D U P A 2
H27D H 0.7824 0.4273 0.6923 0.027 Uiso 0.1095(19) 1 calc R . P A 2
H27E H 0.8588 0.4916 0.7025 0.027 Uiso 0.1095(19) 1 calc R . P A 2
C272 C 0.769(3) 0.511(3) 0.6563(11) 0.022(2) Uani 0.1095(19) 1 d D U P A 2
H27F H 0.7805 0.4799 0.6292 0.033 Uiso 0.1095(19) 1 calc GR . P A 2
H27G H 0.7992 0.5588 0.6568 0.033 Uiso 0.1095(19) 1 calc GR . P A 2
H27H H 0.7087 0.5131 0.6568 0.033 Uiso 0.1095(19) 1 calc GR . P A 2
C273 C 0.9484(19) 0.508(3) 0.8066(14) 0.022(2) Uani 0.1095(19) 1 d D U P A 2
H27I H 0.9397 0.4562 0.8063 0.027 Uiso 0.1095(19) 1 calc R . P A 2
H27J H 0.9621 0.5318 0.8376 0.027 Uiso 0.1095(19) 1 calc R . P A 2
C274 C 1.020(2) 0.528(3) 0.7787(17) 0.022(2) Uani 0.1095(19) 1 d D U P A 2
H27K H 1.0517 0.5738 0.7921 0.033 Uiso 0.1095(19) 1 calc GR . P A 2
H27L H 0.9990 0.5311 0.7487 0.033 Uiso 0.1095(19) 1 calc GR . P A 2
H27M H 1.0574 0.4908 0.7772 0.033 Uiso 0.1095(19) 1 calc GR . P A 2
C275 C 0.875(3) 0.452(2) 0.9158(15) 0.0190(18) Uani 0.1095(19) 1 d D U P A 2
H27N H 0.8375 0.4107 0.9233 0.023 Uiso 0.1095(19) 1 calc R . P A 2
H27O H 0.9231 0.4340 0.9008 0.023 Uiso 0.1095(19) 1 calc R . P A 2
C276 C 0.905(3) 0.501(3) 0.9561(12) 0.0190(18) Uani 0.1095(19) 1 d D U P A 2
H27P H 0.9539 0.5330 0.9500 0.028 Uiso 0.1095(19) 1 calc GR . P A 2
H27Q H 0.9203 0.4730 0.9791 0.028 Uiso 0.1095(19) 1 calc GR . P A 2
H27R H 0.8606 0.5284 0.9663 0.028 Uiso 0.1095(19) 1 calc GR . P A 2
C277 C 0.654(2) 0.425(3) 0.9439(14) 0.0190(18) Uani 0.1095(19) 1 d D U P A 2
H27S H 0.6694 0.4459 0.9752 0.023 Uiso 0.1095(19) 1 calc R . P A 2
H27T H 0.6770 0.3793 0.9373 0.023 Uiso 0.1095(19) 1 calc R . P A 2
C278 C 0.560(2) 0.414(2) 0.9350(15) 0.0190(18) Uani 0.1095(19) 1 d D U P A 2
H27U H 0.5386 0.4598 0.9416 0.028 Uiso 0.1095(19) 1 calc GR . P A 2
H27V H 0.5341 0.3807 0.9539 0.028 Uiso 0.1095(19) 1 calc GR . P A 2
H27W H 0.5462 0.3938 0.9038 0.028 Uiso 0.1095(19) 1 calc GR . P A 2
C279 C 0.460(2) 0.3861(19) 0.8384(17) 0.0203(19) Uani 0.1095(19) 1 d D U P A 2
H27X H 0.4386 0.3707 0.8660 0.024 Uiso 0.1095(19) 1 calc R . P A 2
H27Y H 0.4633 0.3443 0.8156 0.024 Uiso 0.1095(19) 1 calc R . P A 2
C280 C 0.4120(16) 0.4426(14) 0.8215(8) 0.0203(19) Uani 0.1095(19) 1 d D U P A 2
H28A H 0.3521 0.4245 0.8178 0.030 Uiso 0.1095(19) 1 calc GR . P A 2
H28B H 0.4326 0.4527 0.7930 0.030 Uiso 0.1095(19) 1 calc GR . P A 2
H28C H 0.4209 0.4867 0.8431 0.030 Uiso 0.1095(19) 1 calc GR . P A 2
C281 C 0.536(3) 0.483(2) 0.7269(10) 0.0203(19) Uani 0.1095(19) 1 d D U P A 2
H28D H 0.5792 0.5252 0.7286 0.024 Uiso 0.1095(19) 1 calc R . P A 2
H28E H 0.4841 0.4957 0.7138 0.024 Uiso 0.1095(19) 1 calc R . P A 2
C282 C 0.563(3) 0.426(2) 0.6952(13) 0.0203(19) Uani 0.1095(19) 1 d D U P A 2
H28F H 0.5138 0.3989 0.6777 0.030 Uiso 0.1095(19) 1 calc GR . P A 2
H28G H 0.5906 0.3942 0.7113 0.030 Uiso 0.1095(19) 1 calc GR . P A 2
H28H H 0.6017 0.4474 0.6753 0.030 Uiso 0.1095(19) 1 calc GR . P A 2
Dy1 Dy 0.77083(2) 0.78866(2) 0.70458(2) 0.01111(5) Uani 1 1 d . U . . .
Co1 Co 0.80797(5) 1.01061(4) 0.69669(2) 0.01993(15) Uani 1 1 d . U . . .
P71 P 0.83288(10) 0.92910(7) 0.64353(5) 0.0232(3) Uani 1 1 d . U . . .
P72 P 0.87779(8) 0.96281(7) 0.74353(4) 0.0174(3) Uani 1 1 d . U . . .
P73 P 0.68828(8) 0.95162(7) 0.70691(5) 0.0217(3) Uani 1 1 d . U . . .
Si1 Si 0.97326(9) 0.79698(8) 0.95282(5) 0.0177(3) Uani 1 1 d . U . . .
Si2 Si 0.54237(9) 0.64259(9) 0.46999(5) 0.0238(3) Uani 1 1 d . U . . .
O71 O 0.8202(2) 0.85204(19) 0.64978(12) 0.0234(8) Uani 1 1 d . U . . .
O72 O 0.8532(2) 0.88471(18) 0.74642(11) 0.0199(7) Uani 1 1 d . U . . .
O73 O 0.6822(2) 0.8731(2) 0.70806(13) 0.0233(8) Uani 1 1 d . U . . .
O74 O 0.7855(3) 0.9348(2) 0.59733(14) 0.0420(11) Uani 1 1 d . U . . .
O75 O 0.9279(3) 0.9515(2) 0.63156(14) 0.0362(10) Uani 1 1 d . U . . .
O76 O 0.9771(2) 0.9758(2) 0.73730(14) 0.0290(9) Uani 1 1 d . U . . .
O77 O 0.8753(2) 1.00846(19) 0.79193(12) 0.0227(8) Uani 1 1 d . U . . .
O78 O 0.6442(3) 0.9865(2) 0.74951(15) 0.0350(10) Uani 1 1 d . U . . .
O79 O 0.6226(3) 0.9645(2) 0.66912(15) 0.0351(10) Uani 1 1 d . U . . .
N1 N 0.8761(2) 0.7345(2) 0.73960(13) 0.0145(8) Uani 1 1 d . U . . .
N2 N 0.7172(2) 0.77000(19) 0.77419(13) 0.0116(7) Uani 1 1 d . U . . .
N3 N 0.6362(2) 0.7189(2) 0.68627(13) 0.0132(8) Uani 1 1 d . U . . .
N4 N 0.7954(2) 0.6903(2) 0.65138(12) 0.0114(7) Uani 1 1 d . U . . .
C1 C 0.9422(3) 0.7086(2) 0.71854(16) 0.0139(9) Uani 1 1 d . U . . .
C2 C 1.0100(3) 0.7098(3) 0.75061(17) 0.0203(10) Uani 1 1 d . U . . .
H2 H 1.0627 0.6945 0.7448 0.024 Uiso 1 1 calc R . . . .
C3 C 0.9848(3) 0.7365(3) 0.79052(17) 0.0189(10) Uani 1 1 d . U . . .
H3 H 1.0163 0.7437 0.8181 0.023 Uiso 1 1 calc R . . . .
C4 C 0.9012(3) 0.7521(3) 0.78332(16) 0.0150(9) Uani 1 1 d . U . . .
C5 C 0.8511(3) 0.7791(2) 0.81721(16) 0.0142(9) Uani 1 1 d . U . . .
C6 C 0.7654(3) 0.7856(2) 0.81340(15) 0.0128(8) Uani 1 1 d . U . . .
C7 C 0.7134(3) 0.8016(3) 0.84948(16) 0.0183(10) Uani 1 1 d . U . . .
H7 H 0.7314 0.8144 0.8799 0.022 Uiso 1 1 calc R . . . .
C8 C 0.6338(3) 0.7950(3) 0.83228(16) 0.0168(10) Uani 1 1 d . U . . .
H8 H 0.5856 0.8026 0.8483 0.020 Uiso 1 1 calc R . . . .
C9 C 0.6360(3) 0.7743(2) 0.78521(16) 0.0138(9) Uani 1 1 d . U . . .
C10 C 0.5655(3) 0.7571(2) 0.75482(16) 0.0137(9) Uani 1 1 d . U . . .
C11 C 0.5667(3) 0.7316(3) 0.70935(16) 0.0153(9) Uani 1 1 d . U . . .
C12 C 0.4935(3) 0.7147(3) 0.67937(17) 0.0196(10) Uani 1 1 d . U . . .
H12 H 0.4373 0.7177 0.6869 0.023 Uiso 1 1 calc R . . . .
C13 C 0.5195(3) 0.6938(3) 0.63819(17) 0.0201(10) Uani 1 1 d . U . . .
H13 H 0.4853 0.6801 0.6115 0.024 Uiso 1 1 calc R . . . .
C14 C 0.6091(3) 0.6962(3) 0.64288(16) 0.0141(9) Uani 1 1 d . U . . .
C15 C 0.6612(3) 0.6764(3) 0.60798(16) 0.0172(10) Uani 1 1 d . U . . .
C16 C 0.7467(3) 0.6703(3) 0.61217(16) 0.0158(9) Uani 1 1 d . U . . .
C17 C 0.7951(3) 0.6399(3) 0.57752(17) 0.0201(10) Uani 1 1 d . U . . .
H17 H 0.7758 0.6223 0.5477 0.024 Uiso 1 1 calc R . . . .
C18 C 0.8734(3) 0.6412(3) 0.59555(17) 0.0190(10) Uani 1 1 d . U . . .
H18 H 0.9195 0.6247 0.5807 0.023 Uiso 1 1 calc R . . . .
C19 C 0.8733(3) 0.6726(2) 0.64164(16) 0.0128(9) Uani 1 1 d . U . . .
C20 C 0.9421(3) 0.6815(2) 0.67265(16) 0.0129(9) Uani 1 1 d . U . . .
C21 C 0.8897(3) 0.7914(3) 0.86136(16) 0.0152(9) Uani 1 1 d . U . . .
C22 C 0.9242(3) 0.7982(3) 0.89758(16) 0.0183(10) Uani 1 1 d . U . . .
C23 C 1.0798(3) 0.8539(3) 0.95890(18) 0.0265(12) Uani 1 1 d . U . . .
H23 H 1.1214 0.8210 0.9494 0.032 Uiso 1 1 calc R . . . .
C24 C 1.0886(4) 0.9117(4) 0.9289(2) 0.0389(15) Uani 1 1 d . U . . .
H24A H 1.0784 0.8894 0.8979 0.058 Uiso 1 1 calc GR . . . .
H24B H 1.1452 0.9382 0.9333 0.058 Uiso 1 1 calc GR . . . .
H24C H 1.0477 0.9446 0.9365 0.058 Uiso 1 1 calc GR . . . .
C25 C 1.1050(4) 0.8863(3) 1.00716(19) 0.0332(14) Uani 1 1 d . U . . .
H25A H 1.0639 0.9170 1.0185 0.050 Uiso 1 1 calc GR . . . .
H25B H 1.1603 0.9149 1.0087 0.050 Uiso 1 1 calc GR . . . .
H25C H 1.1067 0.8480 1.0251 0.050 Uiso 1 1 calc GR . . . .
C26 C 0.9841(4) 0.7004(3) 0.95581(18) 0.0255(11) Uani 1 1 d . U . . .
H26 H 0.9263 0.6734 0.9514 0.031 Uiso 1 1 calc R . . . .
C27 C 1.0342(4) 0.6676(3) 0.9183(2) 0.0382(15) Uani 1 1 d . U . . .
H27Z H 1.0069 0.6710 0.8896 0.057 Uiso 1 1 calc GR . . . .
H H 1.0365 0.6172 0.9207 0.057 Uiso 1 1 calc GR . . . .
HA H 1.0911 0.6935 0.9206 0.057 Uiso 1 1 calc GR . . . .
C28 C 1.0188(4) 0.6887(3) 1.0011(2) 0.0368(15) Uani 1 1 d . U . . .
H28I H 1.0752 0.7153 1.0073 0.055 Uiso 1 1 calc GR . . . .
H28J H 1.0213 0.6376 1.0009 0.055 Uiso 1 1 calc GR . . . .
H28K H 0.9822 0.7055 1.0241 0.055 Uiso 1 1 calc GR . . . .
C29 C 0.8982(4) 0.8309(3) 0.99401(18) 0.0260(11) Uani 1 1 d . U . . .
H29 H 0.9255 0.8348 1.0244 0.031 Uiso 1 1 calc R . . . .
C30 C 0.8787(4) 0.9051(4) 0.9877(2) 0.0391(15) Uani 1 1 d . U . . .
H30A H 0.9304 0.9391 0.9922 0.059 Uiso 1 1 calc GR . . . .
H30B H 0.8387 0.9204 1.0093 0.059 Uiso 1 1 calc GR . . . .
H30C H 0.8545 0.9033 0.9576 0.059 Uiso 1 1 calc GR . . . .
C31 C 0.8170(4) 0.7788(4) 0.9917(2) 0.0373(15) Uani 1 1 d . U . . .
H31A H 0.7896 0.7730 0.9620 0.056 Uiso 1 1 calc GR . . . .
H31B H 0.7797 0.7977 1.0137 0.056 Uiso 1 1 calc GR . . . .
H31C H 0.8298 0.7324 0.9980 0.056 Uiso 1 1 calc GR . . . .
C32 C 0.6208(3) 0.6599(3) 0.56384(17) 0.0210(10) Uani 1 1 d . U . . .
C33 C 0.5887(3) 0.6494(3) 0.52698(17) 0.0231(11) Uani 1 1 d . U . . .
C34 C 0.4505(4) 0.6938(4) 0.4732(2) 0.0375(14) Uani 1 1 d . U . . .
H34 H 0.4275 0.6927 0.4422 0.045 Uiso 1 1 calc R . . . .
C35 C 0.4745(5) 0.7726(4) 0.4937(3) 0.066(2) Uani 1 1 d . U . . .
H35A H 0.4983 0.7755 0.5240 0.099 Uiso 1 1 calc GR . . . .
H35B H 0.4246 0.7968 0.4943 0.099 Uiso 1 1 calc GR . . . .
H35C H 0.5160 0.7959 0.4759 0.099 Uiso 1 1 calc GR . . . .
C36 C 0.3805(4) 0.6580(5) 0.4989(2) 0.0521(19) Uani 1 1 d . U . . .
H36A H 0.3652 0.6079 0.4855 0.078 Uiso 1 1 calc GR . . . .
H36B H 0.3314 0.6831 0.4978 0.078 Uiso 1 1 calc GR . . . .
H36C H 0.4003 0.6604 0.5299 0.078 Uiso 1 1 calc GR . . . .
C37 C 0.5062(4) 0.5452(3) 0.44858(18) 0.0297(12) Uani 1 1 d . U . . .
H37 H 0.4755 0.5253 0.4729 0.036 Uiso 1 1 calc R . . . .
C38 C 0.5790(4) 0.5019(4) 0.4393(2) 0.0386(15) Uani 1 1 d . U . . .
H38A H 0.6067 0.5153 0.4131 0.058 Uiso 1 1 calc GR . . . .
H38B H 0.5574 0.4508 0.4340 0.058 Uiso 1 1 calc GR . . . .
H38C H 0.6192 0.5120 0.4650 0.058 Uiso 1 1 calc GR . . . .
C39 C 0.4440(5) 0.5320(4) 0.4078(2) 0.0466(18) Uani 1 1 d . U . . .
H39A H 0.3935 0.5533 0.4156 0.070 Uiso 1 1 calc GR . . . .
H39B H 0.4291 0.4805 0.3983 0.070 Uiso 1 1 calc GR . . . .
H39C H 0.4699 0.5539 0.3836 0.070 Uiso 1 1 calc GR . . . .
C40 C 0.6246(4) 0.6864(3) 0.43663(19) 0.0305(12) Uani 1 1 d . U . . .
H40 H 0.6249 0.7390 0.4450 0.037 Uiso 1 1 calc R . . . .
C41 C 0.6016(5) 0.6699(4) 0.3865(2) 0.0420(16) Uani 1 1 d . U . . .
H41A H 0.6126 0.6215 0.3751 0.063 Uiso 1 1 calc GR . . . .
H41B H 0.6355 0.7044 0.3713 0.063 Uiso 1 1 calc GR . . . .
H41C H 0.5422 0.6733 0.3811 0.063 Uiso 1 1 calc GR . . . .
C42 C 0.7136(4) 0.6726(4) 0.4469(2) 0.0382(14) Uani 1 1 d . U . . .
H42A H 0.7275 0.6854 0.4788 0.057 Uiso 1 1 calc GR . . . .
H42B H 0.7526 0.7017 0.4307 0.057 Uiso 1 1 calc GR . . . .
H42C H 0.7178 0.6219 0.4377 0.057 Uiso 1 1 calc GR . . . .
C43 C 0.4819(3) 0.7653(3) 0.77322(15) 0.0145(9) Uani 1 1 d . U . . .
C44 C 0.4589(3) 0.8327(3) 0.78601(17) 0.0182(10) Uani 1 1 d . U . . .
H44 H 0.4964 0.8737 0.7820 0.022 Uiso 1 1 calc R . . . .
C45 C 0.3828(3) 0.8420(3) 0.80458(17) 0.0216(10) Uani 1 1 d . U . . .
C46 C 0.3293(3) 0.7803(3) 0.80958(17) 0.0218(10) Uani 1 1 d . U . . .
H46 H 0.2774 0.7853 0.8225 0.026 Uiso 1 1 calc R . . . .
C47 C 0.3488(3) 0.7121(3) 0.79649(16) 0.0206(10) Uani 1 1 d . U . . .
C48 C 0.4267(3) 0.7055(3) 0.77863(16) 0.0172(10) Uani 1 1 d . U . . .
H48 H 0.4419 0.6592 0.7701 0.021 Uiso 1 1 calc R . . . .
C49 C 0.3616(4) 0.9176(3) 0.8189(2) 0.0312(12) Uani 1 1 d . U . . .
C50 C 0.4269(4) 0.9575(3) 0.8549(2) 0.0383(15) Uani 1 1 d . U . . .
H50A H 0.4233 0.9338 0.8813 0.057 Uiso 1 1 calc GR . . . .
H50B H 0.4161 1.0069 0.8627 0.057 Uiso 1 1 calc GR . . . .
H50C H 0.4830 0.9571 0.8437 0.057 Uiso 1 1 calc GR . . . .
C51 C 0.2761(4) 0.9171(4) 0.8386(3) 0.0446(17) Uani 1 1 d . U . . .
H51A H 0.2328 0.8922 0.8163 0.067 Uiso 1 1 calc GR . . . .
H51B H 0.2654 0.9664 0.8474 0.067 Uiso 1 1 calc GR . . . .
H51C H 0.2751 0.8925 0.8646 0.067 Uiso 1 1 calc GR . . . .
C52 C 0.3627(5) 0.9570(4) 0.7786(2) 0.0429(16) Uani 1 1 d . U . . .
H52A H 0.4187 0.9605 0.7670 0.064 Uiso 1 1 calc GR . . . .
H52B H 0.3481 1.0051 0.7874 0.064 Uiso 1 1 calc GR . . . .
H52C H 0.3218 0.9306 0.7555 0.064 Uiso 1 1 calc GR . . . .
C53 C 0.2887(4) 0.6443(3) 0.8002(2) 0.0303(12) Uani 1 1 d . U . . .
C54 C 0.2115(4) 0.6604(4) 0.8256(2) 0.0446(17) Uani 1 1 d . U . . .
H54A H 0.2293 0.6875 0.8550 0.067 Uiso 1 1 calc GR . . . .
H54B H 0.1772 0.6153 0.8290 0.067 Uiso 1 1 calc GR . . . .
H54C H 0.1785 0.6885 0.8091 0.067 Uiso 1 1 calc GR . . . .
C55 C 0.3339(5) 0.5932(4) 0.8239(3) 0.0532(19) Uani 1 1 d . U . . .
H55A H 0.3828 0.5815 0.8077 0.080 Uiso 1 1 calc GR . . . .
H55B H 0.2956 0.5493 0.8250 0.080 Uiso 1 1 calc GR . . . .
H55C H 0.3520 0.6162 0.8542 0.080 Uiso 1 1 calc GR . . . .
C56 C 0.2582(4) 0.6066(4) 0.7529(2) 0.0399(15) Uani 1 1 d . U . . .
H56A H 0.2267 0.6379 0.7381 0.060 Uiso 1 1 calc GR . . . .
H56B H 0.2221 0.5619 0.7548 0.060 Uiso 1 1 calc GR . . . .
H56C H 0.3066 0.5963 0.7359 0.060 Uiso 1 1 calc GR . . . .
C57 C 1.0238(3) 0.6621(3) 0.65700(16) 0.0167(10) Uani 1 1 d . U . . .
C58 C 1.0356(3) 0.5910(3) 0.64568(16) 0.0167(9) Uani 1 1 d . U . . .
H58 H 0.9903 0.5544 0.6473 0.020 Uiso 1 1 calc R . . . .
C59 C 1.1120(3) 0.5722(3) 0.63207(16) 0.0183(10) Uani 1 1 d . U . . .
C60 C 1.1766(3) 0.6277(3) 0.62945(17) 0.0198(10) Uani 1 1 d . U . . .
H60 H 1.2290 0.6158 0.6198 0.024 Uiso 1 1 calc R . . . .
C61 C 1.1676(3) 0.6999(3) 0.64042(16) 0.0173(9) Uani 1 1 d . U . . .
C62 C 1.0892(3) 0.7158(3) 0.65433(16) 0.0161(9) Uani 1 1 d . U . . .
H62 H 1.0810 0.7643 0.6621 0.019 Uiso 1 1 calc R . . . .
C63 C 1.1280(3) 0.4944(3) 0.61917(18) 0.0232(11) Uani 1 1 d . U . . .
C64 C 1.0581(4) 0.4416(3) 0.6334(2) 0.0302(13) Uani 1 1 d . U . . .
H64A H 1.0521 0.4532 0.6654 0.045 Uiso 1 1 calc GR . . . .
H64B H 1.0721 0.3929 0.6265 0.045 Uiso 1 1 calc GR . . . .
H64C H 1.0053 0.4448 0.6174 0.045 Uiso 1 1 calc GR . . . .
C65 C 1.2107(4) 0.4826(3) 0.6415(2) 0.0320(13) Uani 1 1 d . U . . .
H65A H 1.2572 0.5127 0.6308 0.048 Uiso 1 1 calc GR . . . .
H65B H 1.2184 0.4323 0.6342 0.048 Uiso 1 1 calc GR . . . .
H65C H 1.2092 0.4953 0.6737 0.048 Uiso 1 1 calc GR . . . .
C66 C 1.1322(4) 0.4794(3) 0.56839(19) 0.0326(13) Uani 1 1 d . U . . .
H66A H 1.0782 0.4844 0.5543 0.049 Uiso 1 1 calc GR . . . .
H66B H 1.1447 0.4306 0.5596 0.049 Uiso 1 1 calc GR . . . .
H66C H 1.1762 0.5135 0.5590 0.049 Uiso 1 1 calc GR . . . .
C67 C 1.2398(3) 0.7605(3) 0.63890(17) 0.0224(10) Uani 1 1 d D U . . .
C68 C 1.3083(3) 0.7342(3) 0.60986(19) 0.0294(12) Uani 1 1 d D U . . .
H68A H 1.3308 0.6956 0.6222 0.044 Uiso 1 1 calc GR . . . .
H68B H 1.3533 0.7738 0.6092 0.044 Uiso 1 1 calc GR . . . .
H68C H 1.2846 0.7165 0.5797 0.044 Uiso 1 1 calc GR . . . .
C69 C 1.2079(4) 0.8228(4) 0.6194(3) 0.0434(17) Uani 1 1 d D U . . .
H69A H 1.1800 0.8049 0.5901 0.065 Uiso 1 1 calc GR . . . .
H69B H 1.2552 0.8593 0.6166 0.065 Uiso 1 1 calc GR . . . .
H69C H 1.1681 0.8437 0.6391 0.065 Uiso 1 1 calc GR . . . .
C70 C 1.2762(3) 0.7859(3) 0.68633(19) 0.0315(13) Uani 1 1 d D U . . .
H70A H 1.2335 0.8056 0.7045 0.047 Uiso 1 1 calc GR . . . .
H70B H 1.3244 0.8229 0.6862 0.047 Uiso 1 1 calc GR . . . .
H70C H 1.2942 0.7455 0.6987 0.047 Uiso 1 1 calc GR . . . .
C71 C 0.7128(5) 0.8862(4) 0.5793(2) 0.0498(18) Uani 1 1 d . U . . .
H71A H 0.6698 0.9137 0.5692 0.060 Uiso 1 1 calc R . . . .
H71B H 0.6894 0.8603 0.6029 0.060 Uiso 1 1 calc R . . . .
C72 C 0.7317(5) 0.8350(5) 0.5425(3) 0.066(2) Uani 1 1 d . U . . .
H72A H 0.7484 0.8599 0.5176 0.100 Uiso 1 1 calc GR . . . .
H72B H 0.6819 0.7999 0.5332 0.100 Uiso 1 1 calc GR . . . .
H72C H 0.7775 0.8104 0.5516 0.100 Uiso 1 1 calc GR . . . .
C73 C 0.9644(5) 0.9093(4) 0.5961(2) 0.0450(17) Uani 1 1 d D U . . .
H73A H 0.9798 0.8655 0.6062 0.054 Uiso 0.38(5) 1 calc R . P C 1
H73B H 0.9233 0.8948 0.5704 0.054 Uiso 0.38(5) 1 calc R . P C 1
H73C H 0.9208 0.8729 0.5794 0.054 Uiso 0.62(5) 1 calc R . P C 2
H73D H 1.0078 0.8844 0.6084 0.054 Uiso 0.62(5) 1 calc R . P C 2
C75 C 1.0236(12) 0.9171(9) 0.7233(6) 0.043(4) Uani 0.76(2) 1 d . U P D 1
H75A H 0.9830 0.8731 0.7149 0.052 Uiso 0.76(2) 1 calc R . P D 1
H75B H 1.0524 0.9269 0.6963 0.052 Uiso 0.76(2) 1 calc R . P D 1
C76 C 1.0811(8) 0.9037(6) 0.7532(5) 0.061(4) Uani 0.76(2) 1 d . U P D 1
H76A H 1.1146 0.8687 0.7388 0.092 Uiso 0.76(2) 1 calc GR . P D 1
H76B H 1.0527 0.8847 0.7777 0.092 Uiso 0.76(2) 1 calc GR . P D 1
H76C H 1.1178 0.9482 0.7648 0.092 Uiso 0.76(2) 1 calc GR . P D 1
C77 C 0.9096(5) 0.9812(3) 0.82981(19) 0.0363(15) Uani 1 1 d . U . . .
H77A H 0.9712 0.9848 0.8289 0.044 Uiso 1 1 calc R . . . .
H77B H 0.8866 0.9303 0.8289 0.044 Uiso 1 1 calc R . . . .
C78 C 0.8866(5) 1.0246(4) 0.8717(2) 0.0458(17) Uani 1 1 d . U . . .
H78A H 0.9088 1.0750 0.8722 0.069 Uiso 1 1 calc GR . . . .
H78B H 0.9104 1.0075 0.8975 0.069 Uiso 1 1 calc GR . . . .
H78C H 0.8255 1.0196 0.8728 0.069 Uiso 1 1 calc GR . . . .
C79 C 0.6662(4) 0.9719(3) 0.7926(2) 0.0332(13) Uani 1 1 d . U . . .
H79A H 0.7247 0.9616 0.7938 0.040 Uiso 1 1 calc R . . . .
H79B H 0.6293 0.9294 0.7991 0.040 Uiso 1 1 calc R . . . .
C80 C 0.6571(5) 1.0356(4) 0.8264(3) 0.053(2) Uani 1 1 d . U . . .
H80A H 0.6016 1.0498 0.8221 0.080 Uiso 1 1 calc GR . . . .
H80B H 0.7002 1.0753 0.8228 0.080 Uiso 1 1 calc GR . . . .
H80C H 0.6637 1.0232 0.8563 0.080 Uiso 1 1 calc GR . . . .
C81 C 0.5360(4) 0.9317(4) 0.6687(3) 0.055(2) Uani 1 1 d . U . . .
H81A H 0.5039 0.9637 0.6877 0.066 Uiso 1 1 calc R . . . .
H81B H 0.5334 0.8860 0.6806 0.066 Uiso 1 1 calc R . . . .
C82 C 0.4992(6) 0.9186(7) 0.6231(4) 0.098(4) Uani 1 1 d . U . . .
H82A H 0.5208 0.8778 0.6064 0.147 Uiso 1 1 calc GR . . . .
H82B H 0.5139 0.9611 0.6090 0.147 Uiso 1 1 calc GR . . . .
H82C H 0.4382 0.9082 0.6236 0.147 Uiso 1 1 calc GR . . . .
C91 C 0.7812(5) 1.0886(3) 0.6593(2) 0.0383(14) Uani 1 1 d . U . . .
H91 H 0.7505 1.0799 0.6314 0.046 Uiso 1 1 calc R . . . .
C92 C 0.8686(4) 1.0920(3) 0.6663(2) 0.0348(13) Uani 1 1 d . U . . .
H92 H 0.9076 1.0862 0.6439 0.042 Uiso 1 1 calc R . . . .
C93 C 0.8879(4) 1.1057(3) 0.7126(2) 0.0317(13) Uani 1 1 d . U . . .
H93 H 0.9421 1.1107 0.7270 0.038 Uiso 1 1 calc R . . . .
C94 C 0.8111(5) 1.1106(3) 0.7338(2) 0.0349(13) Uani 1 1 d . U . . .
H94 H 0.8046 1.1193 0.7649 0.042 Uiso 1 1 calc R . . . .
C95 C 0.7483(4) 1.1002(3) 0.7010(2) 0.0379(14) Uani 1 1 d . U . . .
H95 H 0.6907 1.1009 0.7059 0.045 Uiso 1 1 calc R . . . .
C291 C 0.6557(14) 0.6129(13) 0.8308(9) 0.026(2) Uani 0.264(14) 1 d D U P A 2
H291 H 0.6024 0.6153 0.8136 0.032 Uiso 0.264(14) 1 calc R . P A 2
C292 C 0.7362(17) 0.6227(12) 0.8150(9) 0.026(2) Uani 0.264(14) 1 d D U P A 2
H292 H 0.7499 0.6340 0.7849 0.032 Uiso 0.264(14) 1 calc R . P A 2
C293 C 0.7955(15) 0.6184(17) 0.8495(9) 0.026(2) Uani 0.264(14) 1 d D U P A 2
H293 H 0.8544 0.6220 0.8477 0.032 Uiso 0.264(14) 1 calc R . P A 2
C294 C 0.7506(15) 0.6077(12) 0.8863(7) 0.026(2) Uani 0.264(14) 1 d D U P A 2
H294 H 0.7747 0.6040 0.9146 0.032 Uiso 0.264(14) 1 calc R . P A 2
C295 C 0.6630(16) 0.6032(13) 0.8758(9) 0.026(2) Uani 0.264(14) 1 d D U P A 2
H295 H 0.6188 0.5954 0.8950 0.032 Uiso 0.264(14) 1 calc R . P A 2
C75A C 1.023(3) 0.930(3) 0.7148(15) 0.025(7) Uani 0.24(2) 1 d . U P D 2
H75C H 1.0016 0.8818 0.7219 0.030 Uiso 0.24(2) 1 calc R . P D 2
H75D H 1.0076 0.9285 0.6829 0.030 Uiso 0.24(2) 1 calc R . P D 2
C76A C 1.1034(19) 0.935(2) 0.7183(17) 0.069(16) Uani 0.24(2) 1 d . U P D 2
H76D H 1.1224 0.9460 0.7498 0.104 Uiso 0.24(2) 1 calc GR . P D 2
H76E H 1.1276 0.9742 0.7029 0.104 Uiso 0.24(2) 1 calc GR . P D 2
H76F H 1.1215 0.8905 0.7051 0.104 Uiso 0.24(2) 1 calc GR . P D 2
C74 C 1.0350(16) 0.9494(14) 0.5835(11) 0.042(7) Uani 0.38(5) 1 d D U P C 1
H74A H 1.0180 0.9843 0.5656 0.063 Uiso 0.38(5) 1 calc GR . P C 1
H74B H 1.0686 0.9178 0.5659 0.063 Uiso 0.38(5) 1 calc GR . P C 1
H74C H 1.0682 0.9746 0.6100 0.063 Uiso 0.38(5) 1 calc GR . P C 1
C74A C 1.0021(17) 0.9573(7) 0.5662(7) 0.047(5) Uani 0.62(5) 1 d D U P C 2
H74D H 0.9578 0.9717 0.5481 0.070 Uiso 0.62(5) 1 calc GR . P C 2
H74E H 1.0394 0.9323 0.5468 0.070 Uiso 0.62(5) 1 calc GR . P C 2
H74F H 1.0342 0.9998 0.5838 0.070 Uiso 0.62(5) 1 calc GR . P C 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy21 N101 2.403(4) . ?
Dy21 N102 2.386(4) . ?
Dy21 N103 2.389(4) . ?
Dy21 N104 2.394(4) . ?
Dy21 O171 2.283(4) . ?
Dy21 O172 2.289(4) . ?
Dy21 O173 2.309(4) . ?
Dy21 O271 2.32(2) . ?
Dy21 O272 2.39(2) . ?
Dy21 O273 2.29(2) . ?
Co21 C191 2.083(8) . ?
Co21 C192 2.102(9) . ?
Co21 C193 2.076(10) . ?
Co21 C194 2.061(11) . ?
Co21 C195 2.067(8) . ?
Co21 P171 2.1524(18) . ?
Co21 P172 2.1951(17) . ?
Co21 P173 2.1566(17) . ?
Co21 P271 2.058(12) . ?
Co21 P272 1.982(12) . ?
Co21 P273 2.377(12) . ?
Co21 C291 1.98(2) . ?
Co21 C292 1.95(2) . ?
Co21 C293 2.06(3) . ?
Co21 C294 2.14(2) . ?
Co21 C295 2.11(2) . ?
Si21 C122 1.849(5) . ?
Si21 C123 1.898(6) . ?
Si21 C126 1.889(6) . ?
Si21 C129 1.889(6) . ?
Si22 C133 1.833(6) . ?
Si22 C134 1.895(7) . ?
Si22 C137 1.873(7) . ?
Si22 C140 1.865(8) . ?
N101 C101 1.379(6) . ?
N101 C104 1.367(6) . ?
N102 C106 1.359(6) . ?
N102 C109 1.380(6) . ?
N103 C111 1.385(6) . ?
N103 C114 1.378(6) . ?
N104 C116 1.361(6) . ?
N104 C119 1.363(6) . ?
C101 C102 1.443(7) . ?
C101 C120 1.408(7) . ?
C102 H102 0.9500 . ?
C102 C103 1.343(7) . ?
C103 H103 0.9500 . ?
C103 C104 1.447(7) . ?
C104 C105 1.401(7) . ?
C105 C106 1.421(6) . ?
C105 C121 1.426(7) . ?
C106 C107 1.450(6) . ?
C107 H107 0.9500 . ?
C107 C108 1.352(7) . ?
C108 H108 0.9500 . ?
C108 C109 1.441(6) . ?
C109 C110 1.401(7) . ?
C110 C111 1.400(7) . ?
C110 C143 1.502(6) . ?
C111 C112 1.443(7) . ?
C112 H112 0.9500 . ?
C112 C113 1.360(7) . ?
C113 H113 0.9500 . ?
C113 C114 1.441(7) . ?
C114 C115 1.418(7) . ?
C115 C116 1.419(7) . ?
C115 C132 1.441(7) . ?
C116 C117 1.442(7) . ?
C117 H117 0.9500 . ?
C117 C118 1.342(8) . ?
C118 H118 0.9500 . ?
C118 C119 1.440(7) . ?
C119 C120 1.415(7) . ?
C120 C157 1.495(6) . ?
C121 C122 1.211(7) . ?
C123 H123 1.0000 . ?
C123 C124 1.527(9) . ?
C123 C125 1.523(8) . ?
C124 H12A 0.9800 . ?
C124 H12B 0.9800 . ?
C124 H12C 0.9800 . ?
C125 H12D 0.9800 . ?
C125 H12E 0.9800 . ?
C125 H12F 0.9800 . ?
C126 H126 1.0000 . ?
C126 C127 1.528(8) . ?
C126 C128 1.531(8) . ?
C127 H12G 0.9800 . ?
C127 H12H 0.9800 . ?
C127 H12I 0.9800 . ?
C128 H12J 0.9800 . ?
C128 H12K 0.9800 . ?
C128 H12L 0.9800 . ?
C129 H129 1.0000 . ?
C129 C130 1.525(8) . ?
C129 C131 1.534(8) . ?
C130 H13A 0.9800 . ?
C130 H13B 0.9800 . ?
C130 H13C 0.9800 . ?
C131 H13D 0.9800 . ?
C131 H13E 0.9800 . ?
C131 H13F 0.9800 . ?
C132 C133 1.204(7) . ?
C134 H134 1.0000 . ?
C134 C135 1.528(11) . ?
C134 C136 1.520(10) . ?
C135 H13G 0.9800 . ?
C135 H13H 0.9800 . ?
C135 H13I 0.9800 . ?
C136 H13J 0.9800 . ?
C136 H13K 0.9800 . ?
C136 H13L 0.9800 . ?
C137 H137 1.0000 . ?
C137 C138 1.552(9) . ?
C137 C139 1.532(9) . ?
C138 H13M 0.9800 . ?
C138 H13N 0.9800 . ?
C138 H13O 0.9800 . ?
C139 H13P 0.9800 . ?
C139 H13Q 0.9800 . ?
C139 H13R 0.9800 . ?
C140 H140 1.0000 . ?
C140 C141 1.540(11) . ?
C140 C142 1.537(12) . ?
C141 H14A 0.9800 . ?
C141 H14B 0.9800 . ?
C141 H14C 0.9800 . ?
C142 H14D 0.9800 . ?
C142 H14E 0.9800 . ?
C142 H14F 0.9800 . ?
C143 C144 1.395(7) . ?
C143 C148 1.385(7) . ?
C144 H144 0.9500 . ?
C144 C145 1.393(7) . ?
C145 C146 1.394(7) . ?
C145 C149 1.538(7) . ?
C146 H146 0.9500 . ?
C146 C147 1.392(7) . ?
C147 C148 1.399(7) . ?
C147 C153 1.539(7) . ?
C148 H148 0.9500 . ?
C149 C150 1.539(8) . ?
C149 C151 1.509(9) . ?
C149 C152 1.531(8) . ?
C150 H15A 0.9800 . ?
C150 H15B 0.9800 . ?
C150 H15C 0.9800 . ?
C151 H15D 0.9800 . ?
C151 H15E 0.9800 . ?
C151 H15F 0.9800 . ?
C152 H15G 0.9800 . ?
C152 H15H 0.9800 . ?
C152 H15I 0.9800 . ?
C153 C154 1.528(7) . ?
C153 C155 1.532(8) . ?
C153 C156 1.540(8) . ?
C154 H15J 0.9800 . ?
C154 H15K 0.9800 . ?
C154 H15L 0.9800 . ?
C155 H15M 0.9800 . ?
C155 H15N 0.9800 . ?
C155 H15O 0.9800 . ?
C156 H15P 0.9800 . ?
C156 H15Q 0.9800 . ?
C156 H15R 0.9800 . ?
C157 C158 1.396(7) . ?
C157 C162 1.375(8) . ?
C158 H158 0.9500 . ?
C158 C159 1.393(7) . ?
C159 C160 1.387(8) . ?
C159 C163 1.534(7) . ?
C160 H160 0.9500 . ?
C160 C161 1.396(8) . ?
C161 C162 1.400(8) . ?
C161 C167 1.602(13) . ?
C161 C267 1.558(12) . ?
C162 H162 0.9500 . ?
C163 C164 1.520(8) . ?
C163 C165 1.542(7) . ?
C163 C166 1.536(7) . ?
C164 H16A 0.9800 . ?
C164 H16B 0.9800 . ?
C164 H16C 0.9800 . ?
C165 H16D 0.9800 . ?
C165 H16E 0.9800 . ?
C165 H16F 0.9800 . ?
C166 H16G 0.9800 . ?
C166 H16H 0.9800 . ?
C166 H16I 0.9800 . ?
C191 H191 0.9500 . ?
C191 C192 1.394(14) . ?
C191 C195 1.436(14) . ?
C192 H192 0.9500 . ?
C192 C193 1.392(16) . ?
C193 H193 0.9500 . ?
C193 C194 1.392(16) . ?
C194 H194 0.9500 . ?
C194 C195 1.418(16) . ?
C195 H195 0.9500 . ?
C167 C168 1.541(15) . ?
C167 C169 1.542(15) . ?
C167 C170 1.524(15) . ?
C168 H16J 0.9800 . ?
C168 H16K 0.9800 . ?
C168 H16L 0.9800 . ?
C169 H16M 0.9800 . ?
C169 H16N 0.9800 . ?
C169 H16O 0.9800 . ?
C170 H17A 0.9800 . ?
C170 H17B 0.9800 . ?
C170 H17C 0.9800 . ?
P171 O171 1.510(5) . ?
P171 O174 1.598(5) . ?
P171 O175 1.595(5) . ?
P172 O172 1.501(4) . ?
P172 O176 1.607(5) . ?
P172 O177 1.605(5) . ?
P173 O173 1.511(4) . ?
P173 O178 1.614(6) . ?
P173 O179 1.622(5) . ?
O174 C171 1.448(8) . ?
O175 C173 1.447(10) . ?
O176 C175 1.448(8) . ?
O177 C177 1.449(9) . ?
O178 C179 1.438(9) . ?
O179 C181 1.429(8) . ?
C171 H17D 0.9900 . ?
C171 H17E 0.9900 . ?
C171 C172 1.510(9) . ?
C172 H17F 0.9800 . ?
C172 H17G 0.9800 . ?
C172 H17H 0.9800 . ?
C173 H17I 0.9900 . ?
C173 H17J 0.9900 . ?
C173 C174 1.490(10) . ?
C174 H17K 0.9800 . ?
C174 H17L 0.9800 . ?
C174 H17M 0.9800 . ?
C175 H17N 0.9900 . ?
C175 H17O 0.9900 . ?
C175 C176 1.437(9) . ?
C176 H17P 0.9800 . ?
C176 H17Q 0.9800 . ?
C176 H17R 0.9800 . ?
C177 H17S 0.9900 . ?
C177 H17T 0.9900 . ?
C177 C178 1.508(10) . ?
C178 H17U 0.9800 . ?
C178 H17V 0.9800 . ?
C178 H17W 0.9800 . ?
C179 H17X 0.9900 . ?
C179 H17Y 0.9900 . ?
C179 C180 1.506(11) . ?
C180 H18A 0.9800 . ?
C180 H18B 0.9800 . ?
C180 H18C 0.9800 . ?
C181 H18D 0.9900 . ?
C181 H18E 0.9900 . ?
C181 C182 1.508(10) . ?
C182 H18F 0.9800 . ?
C182 H18G 0.9800 . ?
C182 H18H 0.9800 . ?
C267 C268 1.520(15) . ?
C267 C269 1.533(15) . ?
C267 C270 1.526(16) . ?
C268 H26A 0.9800 . ?
C268 H26B 0.9800 . ?
C268 H26C 0.9800 . ?
C269 H26D 0.9800 . ?
C269 H26E 0.9800 . ?
C269 H26F 0.9800 . ?
C270 H27A 0.9800 . ?
C270 H27B 0.9800 . ?
C270 H27C 0.9800 . ?
P271 O271 1.495(19) . ?
P271 O274 1.61(2) . ?
P271 O275 1.61(2) . ?
P272 O272 1.469(19) . ?
P272 O276 1.61(2) . ?
P272 O277 1.58(2) . ?
P273 O273 1.506(19) . ?
P273 O278 1.65(2) . ?
P273 O279 1.62(2) . ?
O274 C271 1.47(2) . ?
O275 C273 1.43(2) . ?
O276 C275 1.46(2) . ?
O277 C277 1.43(2) . ?
O278 C279 1.46(2) . ?
O279 C281 1.42(2) . ?
C271 H27D 0.9900 . ?
C271 H27E 0.9900 . ?
C271 C272 1.53(3) . ?
C272 H27F 0.9800 . ?
C272 H27G 0.9800 . ?
C272 H27H 0.9800 . ?
C273 H27I 0.9900 . ?
C273 H27J 0.9900 . ?
C273 C274 1.50(3) . ?
C274 H27K 0.9800 . ?
C274 H27L 0.9800 . ?
C274 H27M 0.9800 . ?
C275 H27N 0.9900 . ?
C275 H27O 0.9900 . ?
C275 C276 1.45(3) . ?
C276 H27P 0.9800 . ?
C276 H27Q 0.9800 . ?
C276 H27R 0.9800 . ?
C277 H27S 0.9900 . ?
C277 H27T 0.9900 . ?
C277 C278 1.52(3) . ?
C278 H27U 0.9800 . ?
C278 H27V 0.9800 . ?
C278 H27W 0.9800 . ?
C279 H27X 0.9900 . ?
C279 H27Y 0.9900 . ?
C279 C280 1.54(3) . ?
C280 H28A 0.9800 . ?
C280 H28B 0.9800 . ?
C280 H28C 0.9800 . ?
C281 H28D 0.9900 . ?
C281 H28E 0.9900 . ?
C281 C282 1.46(2) . ?
C282 H28F 0.9800 . ?
C282 H28G 0.9800 . ?
C282 H28H 0.9800 . ?
Dy1 O71 2.309(4) . ?
Dy1 O72 2.306(3) . ?
Dy1 O73 2.287(4) . ?
Dy1 N1 2.399(4) . ?
Dy1 N2 2.380(4) . ?
Dy1 N3 2.397(4) . ?
Dy1 N4 2.382(4) . ?
Co1 P71 2.1662(16) . ?
Co1 P72 2.1641(15) . ?
Co1 P73 2.1623(16) . ?
Co1 C91 2.082(6) . ?
Co1 C92 2.078(6) . ?
Co1 C93 2.070(6) . ?
Co1 C94 2.066(6) . ?
Co1 C95 2.062(6) . ?
P71 O71 1.500(4) . ?
P71 O74 1.604(4) . ?
P71 O75 1.608(5) . ?
P72 O72 1.509(4) . ?
P72 O76 1.612(4) . ?
P72 O77 1.606(4) . ?
P73 O73 1.495(4) . ?
P73 O78 1.607(4) . ?
P73 O79 1.605(4) . ?
Si1 C22 1.841(5) . ?
Si1 C23 1.898(6) . ?
Si1 C26 1.890(6) . ?
Si1 C29 1.884(6) . ?
Si2 C33 1.848(5) . ?
Si2 C34 1.879(6) . ?
Si2 C37 1.886(6) . ?
Si2 C40 1.885(6) . ?
O74 C71 1.435(9) . ?
O75 C73 1.445(7) . ?
O76 C75 1.452(15) . ?
O76 C75A 1.35(5) . ?
O77 C77 1.456(7) . ?
O78 C79 1.426(8) . ?
O79 C81 1.455(8) . ?
N1 C1 1.377(6) . ?
N1 C4 1.361(6) . ?
N2 C6 1.377(6) . ?
N2 C9 1.375(6) . ?
N3 C11 1.375(6) . ?
N3 C14 1.369(6) . ?
N4 C16 1.384(6) . ?
N4 C19 1.376(6) . ?
C1 C2 1.437(7) . ?
C1 C20 1.420(7) . ?
C2 H2 0.9500 . ?
C2 C3 1.348(7) . ?
C3 H3 0.9500 . ?
C3 C4 1.437(7) . ?
C4 C5 1.416(7) . ?
C5 C6 1.408(6) . ?
C5 C21 1.438(7) . ?
C6 C7 1.430(7) . ?
C7 H7 0.9500 . ?
C7 C8 1.354(7) . ?
C8 H8 0.9500 . ?
C8 C9 1.436(7) . ?
C9 C10 1.414(7) . ?
C10 C11 1.404(7) . ?
C10 C43 1.498(6) . ?
C11 C12 1.441(7) . ?
C12 H12 0.9500 . ?
C12 C13 1.361(7) . ?
C13 H13 0.9500 . ?
C13 C14 1.442(6) . ?
C14 C15 1.420(7) . ?
C15 C16 1.404(7) . ?
C15 C32 1.448(7) . ?
C16 C17 1.437(7) . ?
C17 H17 0.9500 . ?
C17 C18 1.357(7) . ?
C18 H18 0.9500 . ?
C18 C19 1.447(7) . ?
C19 C20 1.409(6) . ?
C20 C57 1.493(6) . ?
C21 C22 1.202(7) . ?
C23 H23 1.0000 . ?
C23 C24 1.530(8) . ?
C23 C25 1.531(8) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26 1.0000 . ?
C26 C27 1.533(8) . ?
C26 C28 1.531(8) . ?
C27 H27Z 0.9800 . ?
C27 H 0.9800 . ?
C27 HA 0.9800 . ?
C28 H28I 0.9800 . ?
C28 H28J 0.9800 . ?
C28 H28K 0.9800 . ?
C29 H29 1.0000 . ?
C29 C30 1.528(8) . ?
C29 C31 1.531(8) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 C33 1.200(7) . ?
C34 H34 1.0000 . ?
C34 C35 1.538(10) . ?
C34 C36 1.544(10) . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37 1.0000 . ?
C37 C38 1.535(9) . ?
C37 C39 1.539(8) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40 1.0000 . ?
C40 C41 1.539(8) . ?
C40 C42 1.524(8) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 C44 1.392(7) . ?
C43 C48 1.387(7) . ?
C44 H44 0.9500 . ?
C44 C45 1.394(7) . ?
C45 C46 1.397(8) . ?
C45 C49 1.532(8) . ?
C46 H46 0.9500 . ?
C46 C47 1.387(7) . ?
C47 C48 1.403(7) . ?
C47 C53 1.532(8) . ?
C48 H48 0.9500 . ?
C49 C50 1.536(9) . ?
C49 C51 1.525(8) . ?
C49 C52 1.535(9) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 C54 1.534(8) . ?
C53 C55 1.539(9) . ?
C53 C56 1.548(9) . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 C58 1.392(7) . ?
C57 C62 1.386(7) . ?
C58 H58 0.9500 . ?
C58 C59 1.390(7) . ?
C59 C60 1.399(7) . ?
C59 C63 1.538(7) . ?
C60 H60 0.9500 . ?
C60 C61 1.400(7) . ?
C61 C62 1.405(7) . ?
C61 C67 1.538(7) . ?
C62 H62 0.9500 . ?
C63 C64 1.531(8) . ?
C63 C65 1.535(7) . ?
C63 C66 1.540(8) . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C67 C68 1.533(7) . ?
C67 C69 1.542(8) . ?
C67 C70 1.528(7) . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C71 H71A 0.9900 . ?
C71 H71B 0.9900 . ?
C71 C72 1.449(10) . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C73 H73C 0.9900 . ?
C73 H73D 0.9900 . ?
C73 C74 1.386(17) . ?
C73 C74A 1.477(14) . ?
C75 H75A 0.9900 . ?
C75 H75B 0.9900 . ?
C75 C76 1.353(18) . ?
C76 H76A 0.9800 . ?
C76 H76B 0.9800 . ?
C76 H76C 0.9800 . ?
C77 H77A 0.9900 . ?
C77 H77B 0.9900 . ?
C77 C78 1.506(9) . ?
C78 H78A 0.9800 . ?
C78 H78B 0.9800 . ?
C78 H78C 0.9800 . ?
C79 H79A 0.9900 . ?
C79 H79B 0.9900 . ?
C79 C80 1.503(9) . ?
C80 H80A 0.9800 . ?
C80 H80B 0.9800 . ?
C80 H80C 0.9800 . ?
C81 H81A 0.9900 . ?
C81 H81B 0.9900 . ?
C81 C82 1.466(12) . ?
C82 H82A 0.9800 . ?
C82 H82B 0.9800 . ?
C82 H82C 0.9800 . ?
C91 H91 0.9500 . ?
C91 C92 1.412(10) . ?
C91 C95 1.395(9) . ?
C92 H92 0.9500 . ?
C92 C93 1.414(9) . ?
C93 H93 0.9500 . ?
C93 C94 1.428(9) . ?
C94 H94 0.9500 . ?
C94 C95 1.374(10) . ?
C95 H95 0.9500 . ?
C291 H291 1.0000 . ?
C291 C292 1.40(2) . ?
C291 C295 1.42(2) . ?
C292 H292 1.0000 . ?
C292 C293 1.42(3) . ?
C293 H293 0.9500 . ?
C293 C294 1.38(2) . ?
C294 H294 0.9500 . ?
C294 C295 1.43(2) . ?
C295 H295 0.9500 . ?
C75A H75C 0.9900 . ?
C75A H75D 0.9900 . ?
C75A C76A 1.29(6) . ?
C76A H76D 0.9800 . ?
C76A H76E 0.9800 . ?
C76A H76F 0.9800 . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C74A H74D 0.9800 . ?
C74A H74E 0.9800 . ?
C74A H74F 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N102 Dy21 N101 75.09(13) . . ?
N102 Dy21 N103 75.41(13) . . ?
N102 Dy21 N104 119.65(14) . . ?
N102 Dy21 O272 121.5(7) . . ?
N103 Dy21 N101 118.62(13) . . ?
N103 Dy21 N104 74.89(14) . . ?
N103 Dy21 O272 75.2(6) . . ?
N104 Dy21 N101 75.14(14) . . ?
O171 Dy21 N101 77.24(14) . . ?
O171 Dy21 N102 104.14(16) . . ?
O171 Dy21 N103 162.63(15) . . ?
O171 Dy21 N104 118.49(16) . . ?
O171 Dy21 O172 79.85(16) . . ?
O171 Dy21 O173 80.93(15) . . ?
O172 Dy21 N101 137.78(15) . . ?
O172 Dy21 N102 76.82(14) . . ?
O172 Dy21 N103 83.20(14) . . ?
O172 Dy21 N104 146.97(15) . . ?
O172 Dy21 O173 78.74(15) . . ?
O173 Dy21 N101 130.82(15) . . ?
O173 Dy21 N102 153.65(15) . . ?
O173 Dy21 N103 92.10(14) . . ?
O173 Dy21 N104 77.69(15) . . ?
O271 Dy21 N101 102.8(7) . . ?
O271 Dy21 N102 74.5(6) . . ?
O271 Dy21 N103 119.0(7) . . ?
O271 Dy21 N104 163.6(6) . . ?
O271 Dy21 O272 77.4(8) . . ?
O272 Dy21 N101 162.0(7) . . ?
O272 Dy21 N104 99.5(6) . . ?
O273 Dy21 N101 85.6(6) . . ?
O273 Dy21 N102 142.9(7) . . ?
O273 Dy21 N103 141.3(7) . . ?
O273 Dy21 N104 84.1(7) . . ?
O273 Dy21 O271 79.5(9) . . ?
O273 Dy21 O272 76.7(8) . . ?
C191 Co21 C192 38.9(4) . . ?
C191 Co21 P171 109.6(4) . . ?
C191 Co21 P172 155.2(3) . . ?
C191 Co21 P173 96.7(3) . . ?
C192 Co21 P171 85.0(3) . . ?
C192 Co21 P172 140.3(4) . . ?
C192 Co21 P173 128.6(4) . . ?
C193 Co21 C191 65.7(5) . . ?
C193 Co21 C192 38.9(4) . . ?
C193 Co21 P171 98.8(3) . . ?
C193 Co21 P172 103.0(3) . . ?
C193 Co21 P173 161.6(3) . . ?
C194 Co21 C191 66.3(4) . . ?
C194 Co21 C192 65.7(5) . . ?
C194 Co21 C193 39.3(5) . . ?
C194 Co21 C195 40.2(4) . . ?
C194 Co21 P171 137.4(3) . . ?
C194 Co21 P172 90.7(4) . . ?
C194 Co21 P173 130.3(3) . . ?
C195 Co21 C191 40.5(4) . . ?
C195 Co21 C192 67.0(4) . . ?
C195 Co21 C193 67.1(4) . . ?
C195 Co21 P171 149.6(3) . . ?
C195 Co21 P172 115.3(4) . . ?
C195 Co21 P173 96.2(3) . . ?
P171 Co21 P172 93.60(6) . . ?
P171 Co21 P173 92.02(7) . . ?
P173 Co21 P172 91.11(6) . . ?
P271 Co21 P273 91.2(4) . . ?
P271 Co21 C294 129.5(7) . . ?
P271 Co21 C295 158.3(7) . . ?
P272 Co21 P271 97.7(5) . . ?
P272 Co21 P273 88.1(4) . . ?
P272 Co21 C291 138.6(9) . . ?
P272 Co21 C293 107.3(9) . . ?
P272 Co21 C294 85.3(7) . . ?
P272 Co21 C295 99.0(8) . . ?
C291 Co21 P271 123.5(9) . . ?
C291 Co21 P273 94.0(7) . . ?
C291 Co21 C293 69.2(9) . . ?
C291 Co21 C294 66.6(8) . . ?
C291 Co21 C295 40.3(7) . . ?
C292 Co21 P271 90.4(9) . . ?
C292 Co21 P272 148.3(9) . . ?
C292 Co21 P273 122.5(9) . . ?
C292 Co21 C291 41.7(8) . . ?
C292 Co21 C293 41.2(8) . . ?
C292 Co21 C294 66.3(10) . . ?
C292 Co21 C295 68.2(9) . . ?
C293 Co21 P271 94.6(8) . . ?
C293 Co21 P273 162.6(8) . . ?
C293 Co21 C294 38.4(7) . . ?
C293 Co21 C295 67.3(9) . . ?
C294 Co21 P273 139.3(7) . . ?
C295 Co21 P273 103.0(8) . . ?
C295 Co21 C294 39.3(7) . . ?
C122 Si21 C123 109.6(3) . . ?
C122 Si21 C126 107.8(2) . . ?
C122 Si21 C129 106.8(2) . . ?
C126 Si21 C123 111.0(3) . . ?
C129 Si21 C123 109.3(3) . . ?
C129 Si21 C126 112.1(3) . . ?
C133 Si22 C134 106.7(3) . . ?
C133 Si22 C137 108.1(3) . . ?
C133 Si22 C140 105.6(3) . . ?
C137 Si22 C134 110.0(3) . . ?
C140 Si22 C134 110.1(4) . . ?
C140 Si22 C137 115.9(3) . . ?
C101 N101 Dy21 123.0(3) . . ?
C104 N101 Dy21 123.5(3) . . ?
C104 N101 C101 106.6(4) . . ?
C106 N102 Dy21 123.3(3) . . ?
C106 N102 C109 107.0(4) . . ?
C109 N102 Dy21 123.5(3) . . ?
C111 N103 Dy21 124.4(3) . . ?
C114 N103 Dy21 123.0(3) . . ?
C114 N103 C111 105.8(4) . . ?
C116 N104 Dy21 123.1(3) . . ?
C116 N104 C119 106.8(4) . . ?
C119 N104 Dy21 123.4(3) . . ?
N101 C101 C102 109.1(4) . . ?
N101 C101 C120 125.0(4) . . ?
C120 C101 C102 125.8(4) . . ?
C101 C102 H102 126.2 . . ?
C103 C102 C101 107.6(4) . . ?
C103 C102 H102 126.2 . . ?
C102 C103 H103 126.5 . . ?
C102 C103 C104 106.9(5) . . ?
C104 C103 H103 126.5 . . ?
N101 C104 C103 109.7(4) . . ?
N101 C104 C105 125.3(4) . . ?
C105 C104 C103 124.9(4) . . ?
C104 C105 C106 126.2(4) . . ?
C104 C105 C121 116.9(4) . . ?
C106 C105 C121 116.6(4) . . ?
N102 C106 C105 125.4(4) . . ?
N102 C106 C107 109.7(4) . . ?
C105 C106 C107 124.7(4) . . ?
C106 C107 H107 126.7 . . ?
C108 C107 C106 106.6(4) . . ?
C108 C107 H107 126.7 . . ?
C107 C108 H108 126.2 . . ?
C107 C108 C109 107.6(4) . . ?
C109 C108 H108 126.2 . . ?
N102 C109 C108 109.0(4) . . ?
N102 C109 C110 125.7(4) . . ?
C110 C109 C108 125.3(4) . . ?
C109 C110 C143 116.6(4) . . ?
C111 C110 C109 126.5(4) . . ?
C111 C110 C143 116.9(4) . . ?
N103 C111 C110 125.3(4) . . ?
N103 C111 C112 110.0(4) . . ?
C110 C111 C112 124.8(4) . . ?
C111 C112 H112 126.5 . . ?
C113 C112 C111 107.0(4) . . ?
C113 C112 H112 126.5 . . ?
C112 C113 H113 126.5 . . ?
C112 C113 C114 107.1(4) . . ?
C114 C113 H113 126.5 . . ?
N103 C114 C113 110.2(4) . . ?
N103 C114 C115 124.2(4) . . ?
C115 C114 C113 125.5(4) . . ?
C114 C115 C116 125.9(4) . . ?
C114 C115 C132 117.0(4) . . ?
C116 C115 C132 117.0(4) . . ?
N104 C116 C115 125.5(4) . . ?
N104 C116 C117 110.0(4) . . ?
C115 C116 C117 124.5(5) . . ?
C116 C117 H117 126.8 . . ?
C118 C117 C116 106.3(5) . . ?
C118 C117 H117 126.8 . . ?
C117 C118 H118 126.1 . . ?
C117 C118 C119 107.8(5) . . ?
C119 C118 H118 126.1 . . ?
N104 C119 C118 109.2(4) . . ?
N104 C119 C120 126.0(4) . . ?
C120 C119 C118 124.9(5) . . ?
C101 C120 C119 125.9(4) . . ?
C101 C120 C157 117.7(4) . . ?
C119 C120 C157 116.3(4) . . ?
C122 C121 C105 175.7(5) . . ?
C121 C122 Si21 175.1(5) . . ?
Si21 C123 H123 106.7 . . ?
C124 C123 Si21 113.3(4) . . ?
C124 C123 H123 106.7 . . ?
C125 C123 Si21 112.9(4) . . ?
C125 C123 H123 106.7 . . ?
C125 C123 C124 110.0(6) . . ?
C123 C124 H12A 109.5 . . ?
C123 C124 H12B 109.5 . . ?
C123 C124 H12C 109.5 . . ?
H12A C124 H12B 109.5 . . ?
H12A C124 H12C 109.5 . . ?
H12B C124 H12C 109.5 . . ?
C123 C125 H12D 109.5 . . ?
C123 C125 H12E 109.5 . . ?
C123 C125 H12F 109.5 . . ?
H12D C125 H12E 109.5 . . ?
H12D C125 H12F 109.5 . . ?
H12E C125 H12F 109.5 . . ?
Si21 C126 H126 106.2 . . ?
C127 C126 Si21 114.5(4) . . ?
C127 C126 H126 106.2 . . ?
C127 C126 C128 109.1(5) . . ?
C128 C126 Si21 114.0(4) . . ?
C128 C126 H126 106.2 . . ?
C126 C127 H12G 109.5 . . ?
C126 C127 H12H 109.5 . . ?
C126 C127 H12I 109.5 . . ?
H12G C127 H12H 109.5 . . ?
H12G C127 H12I 109.5 . . ?
H12H C127 H12I 109.5 . . ?
C126 C128 H12J 109.5 . . ?
C126 C128 H12K 109.5 . . ?
C126 C128 H12L 109.5 . . ?
H12J C128 H12K 109.5 . . ?
H12J C128 H12L 109.5 . . ?
H12K C128 H12L 109.5 . . ?
Si21 C129 H129 107.3 . . ?
C130 C129 Si21 113.0(4) . . ?
C130 C129 H129 107.3 . . ?
C130 C129 C131 109.4(5) . . ?
C131 C129 Si21 112.2(4) . . ?
C131 C129 H129 107.3 . . ?
C129 C130 H13A 109.5 . . ?
C129 C130 H13B 109.5 . . ?
C129 C130 H13C 109.5 . . ?
H13A C130 H13B 109.5 . . ?
H13A C130 H13C 109.5 . . ?
H13B C130 H13C 109.5 . . ?
C129 C131 H13D 109.5 . . ?
C129 C131 H13E 109.5 . . ?
C129 C131 H13F 109.5 . . ?
H13D C131 H13E 109.5 . . ?
H13D C131 H13F 109.5 . . ?
H13E C131 H13F 109.5 . . ?
C133 C132 C115 177.5(6) . . ?
C132 C133 Si22 174.7(6) . . ?
Si22 C134 H134 107.9 . . ?
C135 C134 Si22 111.6(5) . . ?
C135 C134 H134 107.9 . . ?
C136 C134 Si22 111.2(5) . . ?
C136 C134 H134 107.9 . . ?
C136 C134 C135 110.1(6) . . ?
C134 C135 H13G 109.5 . . ?
C134 C135 H13H 109.5 . . ?
C134 C135 H13I 109.5 . . ?
H13G C135 H13H 109.5 . . ?
H13G C135 H13I 109.5 . . ?
H13H C135 H13I 109.5 . . ?
C134 C136 H13J 109.5 . . ?
C134 C136 H13K 109.5 . . ?
C134 C136 H13L 109.5 . . ?
H13J C136 H13K 109.5 . . ?
H13J C136 H13L 109.5 . . ?
H13K C136 H13L 109.5 . . ?
Si22 C137 H137 106.7 . . ?
C138 C137 Si22 113.0(5) . . ?
C138 C137 H137 106.7 . . ?
C139 C137 Si22 114.2(5) . . ?
C139 C137 H137 106.7 . . ?
C139 C137 C138 109.2(6) . . ?
C137 C138 H13M 109.5 . . ?
C137 C138 H13N 109.5 . . ?
C137 C138 H13O 109.5 . . ?
H13M C138 H13N 109.5 . . ?
H13M C138 H13O 109.5 . . ?
H13N C138 H13O 109.5 . . ?
C137 C139 H13P 109.5 . . ?
C137 C139 H13Q 109.5 . . ?
C137 C139 H13R 109.5 . . ?
H13P C139 H13Q 109.5 . . ?
H13P C139 H13R 109.5 . . ?
H13Q C139 H13R 109.5 . . ?
Si22 C140 H140 103.9 . . ?
C141 C140 Si22 115.0(6) . . ?
C141 C140 H140 103.9 . . ?
C142 C140 Si22 115.7(6) . . ?
C142 C140 H140 103.9 . . ?
C142 C140 C141 112.5(7) . . ?
C140 C141 H14A 109.5 . . ?
C140 C141 H14B 109.5 . . ?
C140 C141 H14C 109.5 . . ?
H14A C141 H14B 109.5 . . ?
H14A C141 H14C 109.5 . . ?
H14B C141 H14C 109.5 . . ?
C140 C142 H14D 109.5 . . ?
C140 C142 H14E 109.5 . . ?
C140 C142 H14F 109.5 . . ?
H14D C142 H14E 109.5 . . ?
H14D C142 H14F 109.5 . . ?
H14E C142 H14F 109.5 . . ?
C144 C143 C110 119.2(4) . . ?
C148 C143 C110 121.6(4) . . ?
C148 C143 C144 119.2(4) . . ?
C143 C144 H144 119.3 . . ?
C145 C144 C143 121.4(5) . . ?
C145 C144 H144 119.3 . . ?
C144 C145 C146 117.6(5) . . ?
C144 C145 C149 121.3(5) . . ?
C146 C145 C149 121.0(4) . . ?
C145 C146 H146 118.7 . . ?
C147 C146 C145 122.7(4) . . ?
C147 C146 H146 118.7 . . ?
C146 C147 C148 117.7(4) . . ?
C146 C147 C153 122.2(4) . . ?
C148 C147 C153 120.1(5) . . ?
C143 C148 C147 121.4(5) . . ?
C143 C148 H148 119.3 . . ?
C147 C148 H148 119.3 . . ?
C145 C149 C150 112.3(5) . . ?
C151 C149 C145 108.7(5) . . ?
C151 C149 C150 109.2(6) . . ?
C151 C149 C152 109.1(6) . . ?
C152 C149 C145 110.9(5) . . ?
C152 C149 C150 106.6(5) . . ?
C149 C150 H15A 109.5 . . ?
C149 C150 H15B 109.5 . . ?
C149 C150 H15C 109.5 . . ?
H15A C150 H15B 109.5 . . ?
H15A C150 H15C 109.5 . . ?
H15B C150 H15C 109.5 . . ?
C149 C151 H15D 109.5 . . ?
C149 C151 H15E 109.5 . . ?
C149 C151 H15F 109.5 . . ?
H15D C151 H15E 109.5 . . ?
H15D C151 H15F 109.5 . . ?
H15E C151 H15F 109.5 . . ?
C149 C152 H15G 109.5 . . ?
C149 C152 H15H 109.5 . . ?
C149 C152 H15I 109.5 . . ?
H15G C152 H15H 109.5 . . ?
H15G C152 H15I 109.5 . . ?
H15H C152 H15I 109.5 . . ?
C147 C153 C156 110.4(4) . . ?
C154 C153 C147 112.2(5) . . ?
C154 C153 C155 108.5(5) . . ?
C154 C153 C156 107.7(5) . . ?
C155 C153 C147 108.8(4) . . ?
C155 C153 C156 109.1(5) . . ?
C153 C154 H15J 109.5 . . ?
C153 C154 H15K 109.5 . . ?
C153 C154 H15L 109.5 . . ?
H15J C154 H15K 109.5 . . ?
H15J C154 H15L 109.5 . . ?
H15K C154 H15L 109.5 . . ?
C153 C155 H15M 109.5 . . ?
C153 C155 H15N 109.5 . . ?
C153 C155 H15O 109.5 . . ?
H15M C155 H15N 109.5 . . ?
H15M C155 H15O 109.5 . . ?
H15N C155 H15O 109.5 . . ?
C153 C156 H15P 109.5 . . ?
C153 C156 H15Q 109.5 . . ?
C153 C156 H15R 109.5 . . ?
H15P C156 H15Q 109.5 . . ?
H15P C156 H15R 109.5 . . ?
H15Q C156 H15R 109.5 . . ?
C158 C157 C120 118.3(5) . . ?
C162 C157 C120 122.9(5) . . ?
C162 C157 C158 118.7(5) . . ?
C157 C158 H158 118.9 . . ?
C159 C158 C157 122.2(5) . . ?
C159 C158 H158 118.9 . . ?
C158 C159 C163 119.3(5) . . ?
C160 C159 C158 117.0(5) . . ?
C160 C159 C163 123.7(5) . . ?
C159 C160 H160 118.6 . . ?
C159 C160 C161 122.8(5) . . ?
C161 C160 H160 118.6 . . ?
C160 C161 C162 117.8(5) . . ?
C160 C161 C167 121.7(7) . . ?
C160 C161 C267 118.9(7) . . ?
C162 C161 C167 118.7(7) . . ?
C162 C161 C267 121.6(7) . . ?
C157 C162 C161 121.4(5) . . ?
C157 C162 H162 119.3 . . ?
C161 C162 H162 119.3 . . ?
C159 C163 C165 107.8(4) . . ?
C159 C163 C166 111.2(4) . . ?
C164 C163 C159 111.5(4) . . ?
C164 C163 C165 109.2(5) . . ?
C164 C163 C166 108.5(4) . . ?
C166 C163 C165 108.5(4) . . ?
C163 C164 H16A 109.5 . . ?
C163 C164 H16B 109.5 . . ?
C163 C164 H16C 109.5 . . ?
H16A C164 H16B 109.5 . . ?
H16A C164 H16C 109.5 . . ?
H16B C164 H16C 109.5 . . ?
C163 C165 H16D 109.5 . . ?
C163 C165 H16E 109.5 . . ?
C163 C165 H16F 109.5 . . ?
H16D C165 H16E 109.5 . . ?
H16D C165 H16F 109.5 . . ?
H16E C165 H16F 109.5 . . ?
C163 C166 H16G 109.5 . . ?
C163 C166 H16H 109.5 . . ?
C163 C166 H16I 109.5 . . ?
H16G C166 H16H 109.5 . . ?
H16G C166 H16I 109.5 . . ?
H16H C166 H16I 109.5 . . ?
Co21 C191 H191 125.6 . . ?
C192 C191 Co21 71.3(5) . . ?
C192 C191 H191 125.6 . . ?
C192 C191 C195 108.8(10) . . ?
C195 C191 Co21 69.1(5) . . ?
C195 C191 H191 125.6 . . ?
Co21 C192 H192 126.3 . . ?
C191 C192 Co21 69.8(5) . . ?
C191 C192 H192 125.9 . . ?
C193 C192 Co21 69.5(6) . . ?
C193 C192 C191 108.1(11) . . ?
C193 C192 H192 125.9 . . ?
Co21 C193 H193 124.5 . . ?
C192 C193 Co21 71.6(6) . . ?
C192 C193 H193 125.7 . . ?
C192 C193 C194 108.5(12) . . ?
C194 C193 Co21 69.8(7) . . ?
C194 C193 H193 125.7 . . ?
Co21 C194 H194 125.2 . . ?
C193 C194 Co21 70.9(6) . . ?
C193 C194 H194 125.4 . . ?
C193 C194 C195 109.2(12) . . ?
C195 C194 Co21 70.1(6) . . ?
C195 C194 H194 125.4 . . ?
Co21 C195 H195 124.2 . . ?
C191 C195 Co21 70.4(5) . . ?
C191 C195 H195 127.4 . . ?
C194 C195 Co21 69.7(5) . . ?
C194 C195 C191 105.2(9) . . ?
C194 C195 H195 127.4 . . ?
C168 C167 C161 114.3(12) . . ?
C168 C167 C169 107.7(12) . . ?
C169 C167 C161 117.4(10) . . ?
C170 C167 C161 100.6(10) . . ?
C170 C167 C168 106.7(12) . . ?
C170 C167 C169 109.5(12) . . ?
C167 C168 H16J 109.5 . . ?
C167 C168 H16K 109.5 . . ?
C167 C168 H16L 109.5 . . ?
H16J C168 H16K 109.5 . . ?
H16J C168 H16L 109.5 . . ?
H16K C168 H16L 109.5 . . ?
C167 C169 H16M 109.5 . . ?
C167 C169 H16N 109.5 . . ?
C167 C169 H16O 109.5 . . ?
H16M C169 H16N 109.5 . . ?
H16M C169 H16O 109.5 . . ?
H16N C169 H16O 109.5 . . ?
C167 C170 H17A 109.5 . . ?
C167 C170 H17B 109.5 . . ?
C167 C170 H17C 109.5 . . ?
H17A C170 H17B 109.5 . . ?
H17A C170 H17C 109.5 . . ?
H17B C170 H17C 109.5 . . ?
O171 P171 Co21 119.93(18) . . ?
O171 P171 O174 109.9(3) . . ?
O171 P171 O175 107.1(3) . . ?
O174 P171 Co21 105.33(18) . . ?
O175 P171 Co21 113.2(2) . . ?
O175 P171 O174 99.4(3) . . ?
O172 P172 Co21 119.02(18) . . ?
O172 P172 O176 109.7(3) . . ?
O172 P172 O177 106.8(3) . . ?
O176 P172 Co21 106.7(2) . . ?
O177 P172 Co21 113.0(2) . . ?
O177 P172 O176 99.9(3) . . ?
O173 P173 Co21 119.43(18) . . ?
O173 P173 O178 109.9(3) . . ?
O173 P173 O179 107.4(3) . . ?
O178 P173 Co21 106.9(2) . . ?
O178 P173 O179 99.9(3) . . ?
O179 P173 Co21 111.6(2) . . ?
P171 O171 Dy21 135.4(3) . . ?
P172 O172 Dy21 136.4(2) . . ?
P173 O173 Dy21 135.9(2) . . ?
C171 O174 P171 120.4(4) . . ?
C173 O175 P171 124.4(5) . . ?
C175 O176 P172 118.6(5) . . ?
C177 O177 P172 120.4(4) . . ?
C179 O178 P173 120.0(5) . . ?
C181 O179 P173 121.8(5) . . ?
O174 C171 H17D 110.2 . . ?
O174 C171 H17E 110.2 . . ?
O174 C171 C172 107.7(5) . . ?
H17D C171 H17E 108.5 . . ?
C172 C171 H17D 110.2 . . ?
C172 C171 H17E 110.2 . . ?
C171 C172 H17F 109.5 . . ?
C171 C172 H17G 109.5 . . ?
C171 C172 H17H 109.5 . . ?
H17F C172 H17G 109.5 . . ?
H17F C172 H17H 109.5 . . ?
H17G C172 H17H 109.5 . . ?
O175 C173 H17I 109.8 . . ?
O175 C173 H17J 109.8 . . ?
O175 C173 C174 109.5(7) . . ?
H17I C173 H17J 108.2 . . ?
C174 C173 H17I 109.8 . . ?
C174 C173 H17J 109.8 . . ?
C173 C174 H17K 109.5 . . ?
C173 C174 H17L 109.5 . . ?
C173 C174 H17M 109.5 . . ?
H17K C174 H17L 109.5 . . ?
H17K C174 H17M 109.5 . . ?
H17L C174 H17M 109.5 . . ?
O176 C175 H17N 109.6 . . ?
O176 C175 H17O 109.6 . . ?
H17N C175 H17O 108.1 . . ?
C176 C175 O176 110.3(6) . . ?
C176 C175 H17N 109.6 . . ?
C176 C175 H17O 109.6 . . ?
C175 C176 H17P 109.5 . . ?
C175 C176 H17Q 109.5 . . ?
C175 C176 H17R 109.5 . . ?
H17P C176 H17Q 109.5 . . ?
H17P C176 H17R 109.5 . . ?
H17Q C176 H17R 109.5 . . ?
O177 C177 H17S 110.1 . . ?
O177 C177 H17T 110.1 . . ?
O177 C177 C178 107.9(6) . . ?
H17S C177 H17T 108.4 . . ?
C178 C177 H17S 110.1 . . ?
C178 C177 H17T 110.1 . . ?
C177 C178 H17U 109.5 . . ?
C177 C178 H17V 109.5 . . ?
C177 C178 H17W 109.5 . . ?
H17U C178 H17V 109.5 . . ?
H17U C178 H17W 109.5 . . ?
H17V C178 H17W 109.5 . . ?
O178 C179 H17X 110.6 . . ?
O178 C179 H17Y 110.6 . . ?
O178 C179 C180 105.5(7) . . ?
H17X C179 H17Y 108.8 . . ?
C180 C179 H17X 110.6 . . ?
C180 C179 H17Y 110.6 . . ?
C179 C180 H18A 109.5 . . ?
C179 C180 H18B 109.5 . . ?
C179 C180 H18C 109.5 . . ?
H18A C180 H18B 109.5 . . ?
H18A C180 H18C 109.5 . . ?
H18B C180 H18C 109.5 . . ?
O179 C181 H18D 109.5 . . ?
O179 C181 H18E 109.5 . . ?
O179 C181 C182 110.6(6) . . ?
H18D C181 H18E 108.1 . . ?
C182 C181 H18D 109.5 . . ?
C182 C181 H18E 109.5 . . ?
C181 C182 H18F 109.5 . . ?
C181 C182 H18G 109.5 . . ?
C181 C182 H18H 109.5 . . ?
H18F C182 H18G 109.5 . . ?
H18F C182 H18H 109.5 . . ?
H18G C182 H18H 109.5 . . ?
C268 C267 C161 111.6(9) . . ?
C268 C267 C269 109.3(12) . . ?
C268 C267 C270 109.4(13) . . ?
C269 C267 C161 114.8(10) . . ?
C270 C267 C161 102.5(11) . . ?
C270 C267 C269 109.0(12) . . ?
C267 C268 H26A 109.5 . . ?
C267 C268 H26B 109.5 . . ?
C267 C268 H26C 109.5 . . ?
H26A C268 H26B 109.5 . . ?
H26A C268 H26C 109.5 . . ?
H26B C268 H26C 109.5 . . ?
C267 C269 H26D 109.5 . . ?
C267 C269 H26E 109.5 . . ?
C267 C269 H26F 109.5 . . ?
H26D C269 H26E 109.5 . . ?
H26D C269 H26F 109.5 . . ?
H26E C269 H26F 109.5 . . ?
C267 C270 H27A 109.5 . . ?
C267 C270 H27B 109.5 . . ?
C267 C270 H27C 109.5 . . ?
H27A C270 H27B 109.5 . . ?
H27A C270 H27C 109.5 . . ?
H27B C270 H27C 109.5 . . ?
O271 P271 Co21 118.9(12) . . ?
O271 P271 O274 112.2(15) . . ?
O271 P271 O275 106.1(16) . . ?
O274 P271 Co21 111.1(12) . . ?
O275 P271 Co21 104.2(13) . . ?
O275 P271 O274 102.4(17) . . ?
O272 P272 Co21 121.1(12) . . ?
O272 P272 O276 114.8(16) . . ?
O272 P272 O277 106.2(16) . . ?
O276 P272 Co21 98.7(12) . . ?
O277 P272 Co21 109.7(17) . . ?
O277 P272 O276 105.4(17) . . ?
O273 P273 Co21 115.3(12) . . ?
O273 P273 O278 111.0(16) . . ?
O273 P273 O279 106.7(15) . . ?
O278 P273 Co21 103.6(12) . . ?
O279 P273 Co21 120.2(13) . . ?
O279 P273 O278 98.5(14) . . ?
P271 O271 Dy21 135.6(15) . . ?
P272 O272 Dy21 134.8(15) . . ?
P273 O273 Dy21 133.5(15) . . ?
C271 O274 P271 110(2) . . ?
C273 O275 P271 131(3) . . ?
C275 O276 P272 118(3) . . ?
C277 O277 P272 129(3) . . ?
C279 O278 P273 116(2) . . ?
C281 O279 P273 120(2) . . ?
O274 C271 H27D 110.7 . . ?
O274 C271 H27E 110.7 . . ?
O274 C271 C272 105(3) . . ?
H27D C271 H27E 108.8 . . ?
C272 C271 H27D 110.7 . . ?
C272 C271 H27E 110.7 . . ?
C271 C272 H27F 109.5 . . ?
C271 C272 H27G 109.5 . . ?
C271 C272 H27H 109.5 . . ?
H27F C272 H27G 109.5 . . ?
H27F C272 H27H 109.5 . . ?
H27G C272 H27H 109.5 . . ?
O275 C273 H27I 109.3 . . ?
O275 C273 H27J 109.3 . . ?
O275 C273 C274 112(3) . . ?
H27I C273 H27J 107.9 . . ?
C274 C273 H27I 109.3 . . ?
C274 C273 H27J 109.3 . . ?
C273 C274 H27K 109.5 . . ?
C273 C274 H27L 109.5 . . ?
C273 C274 H27M 109.5 . . ?
H27K C274 H27L 109.5 . . ?
H27K C274 H27M 109.5 . . ?
H27L C274 H27M 109.5 . . ?
O276 C275 H27N 109.7 . . ?
O276 C275 H27O 109.7 . . ?
H27N C275 H27O 108.2 . . ?
C276 C275 O276 110(3) . . ?
C276 C275 H27N 109.7 . . ?
C276 C275 H27O 109.7 . . ?
C275 C276 H27P 109.5 . . ?
C275 C276 H27Q 109.5 . . ?
C275 C276 H27R 109.5 . . ?
H27P C276 H27Q 109.5 . . ?
H27P C276 H27R 109.5 . . ?
H27Q C276 H27R 109.5 . . ?
O277 C277 H27S 110.9 . . ?
O277 C277 H27T 110.9 . . ?
O277 C277 C278 104(3) . . ?
H27S C277 H27T 108.9 . . ?
C278 C277 H27S 110.9 . . ?
C278 C277 H27T 110.9 . . ?
C277 C278 H27U 109.5 . . ?
C277 C278 H27V 109.5 . . ?
C277 C278 H27W 109.5 . . ?
H27U C278 H27V 109.5 . . ?
H27U C278 H27W 109.5 . . ?
H27V C278 H27W 109.5 . . ?
O278 C279 H27X 113.5 . . ?
O278 C279 H27Y 113.5 . . ?
O278 C279 C280 91(2) . . ?
H27X C279 H27Y 110.8 . . ?
C280 C279 H27X 113.5 . . ?
C280 C279 H27Y 113.5 . . ?
C279 C280 H28A 109.5 . . ?
C279 C280 H28B 109.5 . . ?
C279 C280 H28C 109.5 . . ?
H28A C280 H28B 109.5 . . ?
H28A C280 H28C 109.5 . . ?
H28B C280 H28C 109.5 . . ?
O279 C281 H28D 107.1 . . ?
O279 C281 H28E 107.1 . . ?
O279 C281 C282 121(3) . . ?
H28D C281 H28E 106.8 . . ?
C282 C281 H28D 107.1 . . ?
C282 C281 H28E 107.1 . . ?
C281 C282 H28F 109.5 . . ?
C281 C282 H28G 109.5 . . ?
C281 C282 H28H 109.5 . . ?
H28F C282 H28G 109.5 . . ?
H28F C282 H28H 109.5 . . ?
H28G C282 H28H 109.5 . . ?
O71 Dy1 N1 113.58(14) . . ?
O71 Dy1 N2 157.47(13) . . ?
O71 Dy1 N3 114.18(14) . . ?
O71 Dy1 N4 81.74(13) . . ?
O72 Dy1 O71 79.10(13) . . ?
O72 Dy1 N1 76.67(13) . . ?
O72 Dy1 N2 83.57(13) . . ?
O72 Dy1 N3 149.56(13) . . ?
O72 Dy1 N4 135.47(13) . . ?
O73 Dy1 O71 79.33(13) . . ?
O73 Dy1 O72 79.21(13) . . ?
O73 Dy1 N1 149.55(14) . . ?
O73 Dy1 N2 83.38(13) . . ?
O73 Dy1 N3 76.85(13) . . ?
O73 Dy1 N4 135.45(13) . . ?
N2 Dy1 N1 75.73(14) . . ?
N2 Dy1 N3 75.27(14) . . ?
N2 Dy1 N4 120.79(13) . . ?
N3 Dy1 N1 117.69(13) . . ?
N4 Dy1 N1 74.90(13) . . ?
N4 Dy1 N3 74.87(13) . . ?
P72 Co1 P71 90.14(6) . . ?
P73 Co1 P71 92.18(6) . . ?
P73 Co1 P72 94.99(6) . . ?
C91 Co1 P71 99.22(19) . . ?
C91 Co1 P72 156.9(2) . . ?
C91 Co1 P73 105.6(2) . . ?
C92 Co1 P71 92.27(18) . . ?
C92 Co1 P72 119.5(2) . . ?
C92 Co1 P73 145.2(2) . . ?
C92 Co1 C91 39.7(3) . . ?
C93 Co1 P71 121.16(19) . . ?
C93 Co1 P72 90.27(18) . . ?
C93 Co1 P73 146.26(19) . . ?
C93 Co1 C91 66.8(3) . . ?
C93 Co1 C92 39.9(2) . . ?
C94 Co1 P71 159.22(19) . . ?
C94 Co1 P72 98.21(19) . . ?
C94 Co1 P73 105.9(2) . . ?
C94 Co1 C91 66.5(3) . . ?
C94 Co1 C92 67.1(2) . . ?
C94 Co1 C93 40.4(3) . . ?
C95 Co1 P71 135.3(2) . . ?
C95 Co1 P72 134.5(2) . . ?
C95 Co1 P73 87.03(19) . . ?
C95 Co1 C91 39.3(3) . . ?
C95 Co1 C92 66.1(3) . . ?
C95 Co1 C93 66.2(3) . . ?
C95 Co1 C94 38.9(3) . . ?
O71 P71 Co1 119.83(16) . . ?
O71 P71 O74 107.6(2) . . ?
O71 P71 O75 109.6(2) . . ?
O74 P71 Co1 112.47(18) . . ?
O74 P71 O75 99.6(3) . . ?
O75 P71 Co1 105.81(16) . . ?
O72 P72 Co1 118.39(15) . . ?
O72 P72 O76 107.9(2) . . ?
O72 P72 O77 108.9(2) . . ?
O76 P72 Co1 112.11(16) . . ?
O77 P72 Co1 108.32(15) . . ?
O77 P72 O76 99.5(2) . . ?
O73 P73 Co1 119.09(15) . . ?
O73 P73 O78 107.7(2) . . ?
O73 P73 O79 108.7(2) . . ?
O78 P73 Co1 113.35(18) . . ?
O79 P73 Co1 107.57(17) . . ?
O79 P73 O78 98.4(2) . . ?
C22 Si1 C23 109.5(2) . . ?
C22 Si1 C26 106.2(2) . . ?
C22 Si1 C29 106.0(2) . . ?
C26 Si1 C23 110.6(3) . . ?
C29 Si1 C23 113.2(3) . . ?
C29 Si1 C26 111.0(3) . . ?
C33 Si2 C34 107.5(3) . . ?
C33 Si2 C37 108.1(3) . . ?
C33 Si2 C40 107.1(3) . . ?
C34 Si2 C37 110.1(3) . . ?
C34 Si2 C40 109.5(3) . . ?
C40 Si2 C37 114.3(3) . . ?
P71 O71 Dy1 135.9(2) . . ?
P72 O72 Dy1 136.6(2) . . ?
P73 O73 Dy1 137.4(2) . . ?
C71 O74 P71 122.5(4) . . ?
C73 O75 P71 120.5(4) . . ?
C75 O76 P72 121.8(9) . . ?
C75A O76 P72 127(3) . . ?
C77 O77 P72 118.1(3) . . ?
C79 O78 P73 120.2(4) . . ?
C81 O79 P73 119.1(4) . . ?
C1 N1 Dy1 124.6(3) . . ?
C4 N1 Dy1 123.5(3) . . ?
C4 N1 C1 106.3(4) . . ?
C6 N2 Dy1 122.9(3) . . ?
C9 N2 Dy1 124.9(3) . . ?
C9 N2 C6 106.4(4) . . ?
C11 N3 Dy1 122.8(3) . . ?
C14 N3 Dy1 120.5(3) . . ?
C14 N3 C11 106.9(4) . . ?
C16 N4 Dy1 121.6(3) . . ?
C19 N4 Dy1 124.6(3) . . ?
C19 N4 C16 105.4(4) . . ?
N1 C1 C2 109.4(4) . . ?
N1 C1 C20 125.3(4) . . ?
C20 C1 C2 125.2(4) . . ?
C1 C2 H2 126.3 . . ?
C3 C2 C1 107.3(4) . . ?
C3 C2 H2 126.3 . . ?
C2 C3 H3 126.6 . . ?
C2 C3 C4 106.8(4) . . ?
C4 C3 H3 126.6 . . ?
N1 C4 C3 110.2(4) . . ?
N1 C4 C5 125.1(4) . . ?
C5 C4 C3 124.7(4) . . ?
C4 C5 C21 115.4(4) . . ?
C6 C5 C4 127.3(4) . . ?
C6 C5 C21 116.6(4) . . ?
N2 C6 C5 124.3(4) . . ?
N2 C6 C7 109.6(4) . . ?
C5 C6 C7 125.8(4) . . ?
C6 C7 H7 126.3 . . ?
C8 C7 C6 107.4(4) . . ?
C8 C7 H7 126.3 . . ?
C7 C8 H8 126.5 . . ?
C7 C8 C9 107.1(4) . . ?
C9 C8 H8 126.5 . . ?
N2 C9 C8 109.6(4) . . ?
N2 C9 C10 124.7(4) . . ?
C10 C9 C8 125.7(4) . . ?
C9 C10 C43 116.8(4) . . ?
C11 C10 C9 125.9(4) . . ?
C11 C10 C43 117.3(4) . . ?
N3 C11 C10 126.5(4) . . ?
N3 C11 C12 109.3(4) . . ?
C10 C11 C12 124.3(4) . . ?
C11 C12 H12 126.3 . . ?
C13 C12 C11 107.3(4) . . ?
C13 C12 H12 126.3 . . ?
C12 C13 H13 126.7 . . ?
C12 C13 C14 106.7(4) . . ?
C14 C13 H13 126.7 . . ?
N3 C14 C13 109.8(4) . . ?
N3 C14 C15 125.0(4) . . ?
C15 C14 C13 125.2(4) . . ?
C14 C15 C32 116.0(4) . . ?
C16 C15 C14 126.6(5) . . ?
C16 C15 C32 117.4(4) . . ?
N4 C16 C15 124.0(4) . . ?
N4 C16 C17 110.5(4) . . ?
C15 C16 C17 125.5(5) . . ?
C16 C17 H17 126.5 . . ?
C18 C17 C16 107.0(4) . . ?
C18 C17 H17 126.5 . . ?
C17 C18 H18 126.6 . . ?
C17 C18 C19 106.8(4) . . ?
C19 C18 H18 126.6 . . ?
N4 C19 C18 110.3(4) . . ?
N4 C19 C20 124.7(4) . . ?
C20 C19 C18 125.0(4) . . ?
C1 C20 C57 115.2(4) . . ?
C19 C20 C1 126.1(4) . . ?
C19 C20 C57 118.8(4) . . ?
C22 C21 C5 176.2(5) . . ?
C21 C22 Si1 173.1(5) . . ?
Si1 C23 H23 106.5 . . ?
C24 C23 Si1 113.8(4) . . ?
C24 C23 H23 106.5 . . ?
C24 C23 C25 110.6(5) . . ?
C25 C23 Si1 112.3(4) . . ?
C25 C23 H23 106.5 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si1 C26 H26 106.4 . . ?
C27 C26 Si1 112.5(4) . . ?
C27 C26 H26 106.4 . . ?
C28 C26 Si1 113.3(4) . . ?
C28 C26 H26 106.4 . . ?
C28 C26 C27 111.2(5) . . ?
C26 C27 H27Z 109.5 . . ?
C26 C27 H 109.5 . . ?
C26 C27 HA 109.5 . . ?
H27Z C27 H 109.5 . . ?
H27Z C27 HA 109.5 . . ?
H C27 HA 109.5 . . ?
C26 C28 H28I 109.5 . . ?
C26 C28 H28J 109.5 . . ?
C26 C28 H28K 109.5 . . ?
H28I C28 H28J 109.5 . . ?
H28I C28 H28K 109.5 . . ?
H28J C28 H28K 109.5 . . ?
Si1 C29 H29 107.7 . . ?
C30 C29 Si1 112.0(4) . . ?
C30 C29 H29 107.7 . . ?
C30 C29 C31 110.1(5) . . ?
C31 C29 Si1 111.4(4) . . ?
C31 C29 H29 107.7 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C33 C32 C15 177.0(6) . . ?
C32 C33 Si2 174.4(5) . . ?
Si2 C34 H34 107.6 . . ?
C35 C34 Si2 112.9(5) . . ?
C35 C34 H34 107.6 . . ?
C35 C34 C36 110.0(6) . . ?
C36 C34 Si2 111.0(5) . . ?
C36 C34 H34 107.6 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C34 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
Si2 C37 H37 106.4 . . ?
C38 C37 Si2 112.9(4) . . ?
C38 C37 H37 106.4 . . ?
C38 C37 C39 110.0(5) . . ?
C39 C37 Si2 114.3(5) . . ?
C39 C37 H37 106.4 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
Si2 C40 H40 105.9 . . ?
C41 C40 Si2 112.2(4) . . ?
C41 C40 H40 105.9 . . ?
C42 C40 Si2 115.1(4) . . ?
C42 C40 H40 105.9 . . ?
C42 C40 C41 111.1(5) . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C40 C42 H42A 109.5 . . ?
C40 C42 H42B 109.5 . . ?
C40 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C44 C43 C10 120.9(4) . . ?
C48 C43 C10 120.3(4) . . ?
C48 C43 C44 118.8(4) . . ?
C43 C44 H44 118.9 . . ?
C43 C44 C45 122.2(5) . . ?
C45 C44 H44 118.9 . . ?
C44 C45 C46 117.0(5) . . ?
C44 C45 C49 119.9(5) . . ?
C46 C45 C49 123.1(5) . . ?
C45 C46 H46 118.6 . . ?
C47 C46 C45 122.9(5) . . ?
C47 C46 H46 118.6 . . ?
C46 C47 C48 118.0(5) . . ?
C46 C47 C53 122.9(5) . . ?
C48 C47 C53 119.1(5) . . ?
C43 C48 C47 121.2(5) . . ?
C43 C48 H48 119.4 . . ?
C47 C48 H48 119.4 . . ?
C45 C49 C50 109.1(5) . . ?
C45 C49 C52 109.0(5) . . ?
C51 C49 C45 112.3(5) . . ?
C51 C49 C50 107.4(5) . . ?
C51 C49 C52 109.0(5) . . ?
C52 C49 C50 110.0(6) . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C49 C51 H51A 109.5 . . ?
C49 C51 H51B 109.5 . . ?
C49 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C49 C52 H52A 109.5 . . ?
C49 C52 H52B 109.5 . . ?
C49 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C47 C53 C54 112.6(5) . . ?
C47 C53 C55 110.1(5) . . ?
C47 C53 C56 108.8(5) . . ?
C54 C53 C55 108.4(5) . . ?
C54 C53 C56 107.9(5) . . ?
C55 C53 C56 109.0(6) . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C53 C55 H55A 109.5 . . ?
C53 C55 H55B 109.5 . . ?
C53 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C53 C56 H56A 109.5 . . ?
C53 C56 H56B 109.5 . . ?
C53 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C58 C57 C20 121.0(4) . . ?
C62 C57 C20 119.4(4) . . ?
C62 C57 C58 119.6(5) . . ?
C57 C58 H58 119.2 . . ?
C59 C58 C57 121.5(5) . . ?
C59 C58 H58 119.2 . . ?
C58 C59 C60 117.5(5) . . ?
C58 C59 C63 123.4(5) . . ?
C60 C59 C63 119.1(4) . . ?
C59 C60 H60 118.5 . . ?
C59 C60 C61 122.9(4) . . ?
C61 C60 H60 118.5 . . ?
C60 C61 C62 117.2(5) . . ?
C60 C61 C67 122.6(4) . . ?
C62 C61 C67 120.2(5) . . ?
C57 C62 C61 121.3(5) . . ?
C57 C62 H62 119.3 . . ?
C61 C62 H62 119.3 . . ?
C59 C63 C66 108.2(4) . . ?
C64 C63 C59 111.6(4) . . ?
C64 C63 C65 107.8(5) . . ?
C64 C63 C66 109.0(5) . . ?
C65 C63 C59 110.5(5) . . ?
C65 C63 C66 109.7(5) . . ?
C63 C64 H64A 109.5 . . ?
C63 C64 H64B 109.5 . . ?
C63 C64 H64C 109.5 . . ?
H64A C64 H64B 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C63 C65 H65A 109.5 . . ?
C63 C65 H65B 109.5 . . ?
C63 C65 H65C 109.5 . . ?
H65A C65 H65B 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C63 C66 H66A 109.5 . . ?
C63 C66 H66B 109.5 . . ?
C63 C66 H66C 109.5 . . ?
H66A C66 H66B 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C61 C67 C69 110.5(4) . . ?
C68 C67 C61 111.0(4) . . ?
C68 C67 C69 108.0(5) . . ?
C70 C67 C61 107.7(4) . . ?
C70 C67 C68 109.3(4) . . ?
C70 C67 C69 110.3(5) . . ?
C67 C68 H68A 109.5 . . ?
C67 C68 H68B 109.5 . . ?
C67 C68 H68C 109.5 . . ?
H68A C68 H68B 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C67 C69 H69A 109.5 . . ?
C67 C69 H69B 109.5 . . ?
C67 C69 H69C 109.5 . . ?
H69A C69 H69B 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C67 C70 H70A 109.5 . . ?
C67 C70 H70B 109.5 . . ?
C67 C70 H70C 109.5 . . ?
H70A C70 H70B 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
O74 C71 H71A 109.2 . . ?
O74 C71 H71B 109.2 . . ?
O74 C71 C72 112.1(7) . . ?
H71A C71 H71B 107.9 . . ?
C72 C71 H71A 109.2 . . ?
C72 C71 H71B 109.2 . . ?
C71 C72 H72A 109.5 . . ?
C71 C72 H72B 109.5 . . ?
C71 C72 H72C 109.5 . . ?
H72A C72 H72B 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
O75 C73 H73A 109.8 . . ?
O75 C73 H73B 109.8 . . ?
O75 C73 H73C 110.0 . . ?
O75 C73 H73D 110.0 . . ?
O75 C73 C74A 108.7(7) . . ?
H73A C73 H73B 108.3 . . ?
H73C C73 H73D 108.3 . . ?
C74 C73 O75 109.2(11) . . ?
C74 C73 H73A 109.8 . . ?
C74 C73 H73B 109.8 . . ?
C74A C73 H73C 110.0 . . ?
C74A C73 H73D 110.0 . . ?
O76 C75 H75A 108.1 . . ?
O76 C75 H75B 108.1 . . ?
H75A C75 H75B 107.3 . . ?
C76 C75 O76 116.6(14) . . ?
C76 C75 H75A 108.1 . . ?
C76 C75 H75B 108.1 . . ?
C75 C76 H76A 109.5 . . ?
C75 C76 H76B 109.5 . . ?
C75 C76 H76C 109.5 . . ?
H76A C76 H76B 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
O77 C77 H77A 110.0 . . ?
O77 C77 H77B 110.0 . . ?
O77 C77 C78 108.7(5) . . ?
H77A C77 H77B 108.3 . . ?
C78 C77 H77A 110.0 . . ?
C78 C77 H77B 110.0 . . ?
C77 C78 H78A 109.5 . . ?
C77 C78 H78B 109.5 . . ?
C77 C78 H78C 109.5 . . ?
H78A C78 H78B 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
O78 C79 H79A 109.8 . . ?
O78 C79 H79B 109.8 . . ?
O78 C79 C80 109.2(6) . . ?
H79A C79 H79B 108.3 . . ?
C80 C79 H79A 109.8 . . ?
C80 C79 H79B 109.8 . . ?
C79 C80 H80A 109.5 . . ?
C79 C80 H80B 109.5 . . ?
C79 C80 H80C 109.5 . . ?
H80A C80 H80B 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
O79 C81 H81A 109.8 . . ?
O79 C81 H81B 109.8 . . ?
O79 C81 C82 109.5(7) . . ?
H81A C81 H81B 108.2 . . ?
C82 C81 H81A 109.8 . . ?
C82 C81 H81B 109.8 . . ?
C81 C82 H82A 109.5 . . ?
C81 C82 H82B 109.5 . . ?
C81 C82 H82C 109.5 . . ?
H82A C82 H82B 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
Co1 C91 H91 125.6 . . ?
C92 C91 Co1 70.0(3) . . ?
C92 C91 H91 126.5 . . ?
C95 C91 Co1 69.5(3) . . ?
C95 C91 H91 126.5 . . ?
C95 C91 C92 107.0(6) . . ?
Co1 C92 H92 125.5 . . ?
C91 C92 Co1 70.3(4) . . ?
C91 C92 H92 126.0 . . ?
C91 C92 C93 107.9(6) . . ?
C93 C92 Co1 69.7(3) . . ?
C93 C92 H92 126.0 . . ?
Co1 C93 H93 125.2 . . ?
C92 C93 Co1 70.4(3) . . ?
C92 C93 H93 126.3 . . ?
C92 C93 C94 107.3(6) . . ?
C94 C93 Co1 69.7(3) . . ?
C94 C93 H93 126.3 . . ?
Co1 C94 H94 124.9 . . ?
C93 C94 Co1 69.9(3) . . ?
C93 C94 H94 126.4 . . ?
C95 C94 Co1 70.4(4) . . ?
C95 C94 C93 107.3(6) . . ?
C95 C94 H94 126.4 . . ?
Co1 C95 H95 124.9 . . ?
C91 C95 Co1 71.1(3) . . ?
C91 C95 H95 124.8 . . ?
C94 C95 Co1 70.7(4) . . ?
C94 C95 C91 110.4(6) . . ?
C94 C95 H95 124.8 . . ?
Co21 C291 H291 125.8 . . ?
C292 C291 Co21 68.0(13) . . ?
C292 C291 H291 125.8 . . ?
C292 C291 C295 108.4(18) . . ?
C295 C291 Co21 74.8(13) . . ?
C295 C291 H291 125.8 . . ?
Co21 C292 H292 125.4 . . ?
C291 C292 Co21 70.3(13) . . ?
C291 C292 H292 125.4 . . ?
C291 C292 C293 109(2) . . ?
C293 C292 Co21 73.3(17) . . ?
C293 C292 H292 125.4 . . ?
Co21 C293 H293 125.3 . . ?
C292 C293 Co21 65.5(14) . . ?
C292 C293 H293 126.7 . . ?
C294 C293 Co21 73.9(15) . . ?
C294 C293 C292 107(2) . . ?
C294 C293 H293 126.7 . . ?
Co21 C294 H294 129.9 . . ?
C293 C294 Co21 67.6(16) . . ?
C293 C294 H294 124.8 . . ?
C293 C294 C295 110(2) . . ?
C295 C294 Co21 69.4(13) . . ?
C295 C294 H294 124.8 . . ?
Co21 C295 H295 128.0 . . ?
C291 C295 Co21 64.9(13) . . ?
C291 C295 C294 105.6(17) . . ?
C291 C295 H295 127.2 . . ?
C294 C295 Co21 71.3(13) . . ?
C294 C295 H295 127.2 . . ?
O76 C75A H75C 106.2 . . ?
O76 C75A H75D 106.2 . . ?
H75C C75A H75D 106.4 . . ?
C76A C75A O76 124(4) . . ?
C76A C75A H75C 106.2 . . ?
C76A C75A H75D 106.2 . . ?
C75A C76A H76D 109.5 . . ?
C75A C76A H76E 109.5 . . ?
C75A C76A H76F 109.5 . . ?
H76D C76A H76E 109.5 . . ?
H76D C76A H76F 109.5 . . ?
H76E C76A H76F 109.5 . . ?
C73 C74 H74A 109.5 . . ?
C73 C74 H74B 109.5 . . ?
C73 C74 H74C 109.5 . . ?
H74A C74 H74B 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C73 C74A H74D 109.5 . . ?
C73 C74A H74E 109.5 . . ?
C73 C74A H74F 109.5 . . ?
H74D C74A H74E 109.5 . . ?
H74D C74A H74F 109.5 . . ?
H74E C74A H74F 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy21 N101 C101 C102 150.9(3) . . . . ?
Dy21 N101 C101 C120 -31.1(6) . . . . ?
Dy21 N101 C104 C103 -150.7(3) . . . . ?
Dy21 N101 C104 C105 31.6(6) . . . . ?
Dy21 N102 C106 C105 -34.5(6) . . . . ?
Dy21 N102 C106 C107 150.0(3) . . . . ?
Dy21 N102 C109 C108 -150.7(3) . . . . ?
Dy21 N102 C109 C110 33.1(6) . . . . ?
Dy21 N103 C111 C110 -28.8(7) . . . . ?
Dy21 N103 C111 C112 150.4(3) . . . . ?
Dy21 N103 C114 C113 -150.5(3) . . . . ?
Dy21 N103 C114 C115 32.6(6) . . . . ?
Dy21 N104 C116 C115 -29.2(7) . . . . ?
Dy21 N104 C116 C117 152.9(3) . . . . ?
Dy21 N104 C119 C118 -152.6(4) . . . . ?
Dy21 N104 C119 C120 29.0(7) . . . . ?
Co21 C191 C192 C193 -59.2(7) . . . . ?
Co21 C191 C195 C194 61.4(6) . . . . ?
Co21 C192 C193 C194 -60.2(7) . . . . ?
Co21 C193 C194 C195 -59.9(7) . . . . ?
Co21 C194 C195 C191 -61.9(6) . . . . ?
Co21 P171 O171 Dy21 15.0(5) . . . . ?
Co21 P171 O174 C171 175.4(5) . . . . ?
Co21 P171 O175 C173 89.1(6) . . . . ?
Co21 P172 O172 Dy21 6.4(5) . . . . ?
Co21 P172 O176 C175 179.7(5) . . . . ?
Co21 P172 O177 C177 100.9(5) . . . . ?
Co21 P173 O173 Dy21 5.8(5) . . . . ?
Co21 P173 O178 C179 177.8(5) . . . . ?
Co21 P173 O179 C181 111.5(5) . . . . ?
Co21 P271 O271 Dy21 29(3) . . . . ?
Co21 P271 O274 C271 -175(3) . . . . ?
Co21 P271 O275 C273 106(4) . . . . ?
Co21 P272 O272 Dy21 25(3) . . . . ?
Co21 P272 O276 C275 -177(3) . . . . ?
Co21 P272 O277 C277 153(3) . . . . ?
Co21 P273 O273 Dy21 30(3) . . . . ?
Co21 P273 O278 C279 -177(2) . . . . ?
Co21 P273 O279 C281 73(3) . . . . ?
Co21 C291 C292 C293 -63.5(19) . . . . ?
Co21 C291 C295 C294 60.1(17) . . . . ?
Co21 C292 C293 C294 -63(2) . . . . ?
Co21 C293 C294 C295 -56.0(18) . . . . ?
Co21 C294 C295 C291 -56.0(16) . . . . ?
N101 C101 C102 C103 0.5(6) . . . . ?
N101 C101 C120 C119 -6.2(8) . . . . ?
N101 C101 C120 C157 172.1(5) . . . . ?
N101 C104 C105 C106 1.2(8) . . . . ?
N101 C104 C105 C121 174.4(4) . . . . ?
N102 C106 C107 C108 2.6(6) . . . . ?
N102 C109 C110 C111 0.7(8) . . . . ?
N102 C109 C110 C143 180.0(4) . . . . ?
N103 C111 C112 C113 0.3(6) . . . . ?
N103 C114 C115 C116 6.9(8) . . . . ?
N103 C114 C115 C132 -174.5(5) . . . . ?
N104 C116 C117 C118 -0.7(6) . . . . ?
N104 C119 C120 C101 7.5(9) . . . . ?
N104 C119 C120 C157 -170.8(5) . . . . ?
C101 N101 C104 C103 0.9(5) . . . . ?
C101 N101 C104 C105 -176.8(5) . . . . ?
C101 C102 C103 C104 0.1(6) . . . . ?
C101 C120 C157 C158 -111.8(5) . . . . ?
C101 C120 C157 C162 68.2(7) . . . . ?
C102 C101 C120 C119 171.5(5) . . . . ?
C102 C101 C120 C157 -10.3(8) . . . . ?
C102 C103 C104 N101 -0.6(6) . . . . ?
C102 C103 C104 C105 177.1(5) . . . . ?
C103 C104 C105 C106 -176.2(5) . . . . ?
C103 C104 C105 C121 -2.9(7) . . . . ?
C104 N101 C101 C102 -0.8(5) . . . . ?
C104 N101 C101 C120 177.1(5) . . . . ?
C104 C105 C106 N102 0.3(8) . . . . ?
C104 C105 C106 C107 175.1(5) . . . . ?
C105 C106 C107 C108 -172.9(5) . . . . ?
C106 N102 C109 C108 2.2(5) . . . . ?
C106 N102 C109 C110 -173.9(5) . . . . ?
C106 C107 C108 C109 -1.2(6) . . . . ?
C107 C108 C109 N102 -0.6(6) . . . . ?
C107 C108 C109 C110 175.6(5) . . . . ?
C108 C109 C110 C111 -174.8(5) . . . . ?
C108 C109 C110 C143 4.4(7) . . . . ?
C109 N102 C106 C105 172.6(5) . . . . ?
C109 N102 C106 C107 -3.0(5) . . . . ?
C109 C110 C111 N103 -3.2(8) . . . . ?
C109 C110 C111 C112 177.7(5) . . . . ?
C109 C110 C143 C144 90.7(6) . . . . ?
C109 C110 C143 C148 -88.9(6) . . . . ?
C110 C111 C112 C113 179.6(5) . . . . ?
C110 C143 C144 C145 179.4(4) . . . . ?
C110 C143 C148 C147 179.6(4) . . . . ?
C111 N103 C114 C113 1.6(5) . . . . ?
C111 N103 C114 C115 -175.2(5) . . . . ?
C111 C110 C143 C144 -89.9(6) . . . . ?
C111 C110 C143 C148 90.5(6) . . . . ?
C111 C112 C113 C114 0.6(6) . . . . ?
C112 C113 C114 N103 -1.4(6) . . . . ?
C112 C113 C114 C115 175.3(5) . . . . ?
C113 C114 C115 C116 -169.5(5) . . . . ?
C113 C114 C115 C132 9.2(8) . . . . ?
C114 N103 C111 C110 179.6(5) . . . . ?
C114 N103 C111 C112 -1.2(5) . . . . ?
C114 C115 C116 N104 -8.7(8) . . . . ?
C114 C115 C116 C117 168.8(5) . . . . ?
C115 C116 C117 C118 -178.6(5) . . . . ?
C116 N104 C119 C118 -0.7(6) . . . . ?
C116 N104 C119 C120 -179.0(5) . . . . ?
C116 C117 C118 C119 0.3(6) . . . . ?
C117 C118 C119 N104 0.2(6) . . . . ?
C117 C118 C119 C120 178.6(5) . . . . ?
C118 C119 C120 C101 -170.6(5) . . . . ?
C118 C119 C120 C157 11.1(8) . . . . ?
C119 N104 C116 C115 178.7(5) . . . . ?
C119 N104 C116 C117 0.9(6) . . . . ?
C119 C120 C157 C158 66.6(6) . . . . ?
C119 C120 C157 C162 -113.4(6) . . . . ?
C120 C101 C102 C103 -177.5(5) . . . . ?
C120 C157 C158 C159 178.5(5) . . . . ?
C120 C157 C162 C161 -178.3(6) . . . . ?
C121 C105 C106 N102 -173.0(4) . . . . ?
C121 C105 C106 C107 1.8(7) . . . . ?
C122 Si21 C123 C124 28.5(5) . . . . ?
C122 Si21 C123 C125 154.3(4) . . . . ?
C122 Si21 C126 C127 159.3(5) . . . . ?
C122 Si21 C126 C128 32.6(5) . . . . ?
C122 Si21 C129 C130 -63.7(5) . . . . ?
C122 Si21 C129 C131 60.6(5) . . . . ?
C123 Si21 C126 C127 -80.7(5) . . . . ?
C123 Si21 C126 C128 152.7(5) . . . . ?
C123 Si21 C129 C130 177.8(4) . . . . ?
C123 Si21 C129 C131 -57.9(5) . . . . ?
C126 Si21 C123 C124 -90.6(5) . . . . ?
C126 Si21 C123 C125 35.3(5) . . . . ?
C126 Si21 C129 C130 54.3(5) . . . . ?
C126 Si21 C129 C131 178.5(4) . . . . ?
C129 Si21 C123 C124 145.2(5) . . . . ?
C129 Si21 C123 C125 -88.9(5) . . . . ?
C129 Si21 C126 C127 41.9(6) . . . . ?
C129 Si21 C126 C128 -84.7(5) . . . . ?
C132 C115 C116 N104 172.6(5) . . . . ?
C132 C115 C116 C117 -9.8(8) . . . . ?
C133 Si22 C134 C135 62.2(6) . . . . ?
C133 Si22 C134 C136 -61.2(6) . . . . ?
C133 Si22 C137 C138 -176.2(5) . . . . ?
C133 Si22 C137 C139 -50.6(5) . . . . ?
C133 Si22 C140 C141 -164.5(7) . . . . ?
C133 Si22 C140 C142 61.6(6) . . . . ?
C134 Si22 C137 C138 67.7(6) . . . . ?
C134 Si22 C137 C139 -166.7(5) . . . . ?
C134 Si22 C140 C141 -49.6(8) . . . . ?
C134 Si22 C140 C142 176.4(5) . . . . ?
C137 Si22 C134 C135 179.2(5) . . . . ?
C137 Si22 C134 C136 55.8(6) . . . . ?
C137 Si22 C140 C141 75.9(8) . . . . ?
C137 Si22 C140 C142 -58.0(6) . . . . ?
C140 Si22 C134 C135 -52.0(6) . . . . ?
C140 Si22 C134 C136 -175.4(5) . . . . ?
C140 Si22 C137 C138 -57.9(6) . . . . ?
C140 Si22 C137 C139 67.7(6) . . . . ?
C143 C110 C111 N103 177.5(4) . . . . ?
C143 C110 C111 C112 -1.6(7) . . . . ?
C143 C144 C145 C146 1.6(7) . . . . ?
C143 C144 C145 C149 177.9(5) . . . . ?
C144 C143 C148 C147 0.0(7) . . . . ?
C144 C145 C146 C147 -1.2(7) . . . . ?
C144 C145 C149 C150 21.3(7) . . . . ?
C144 C145 C149 C151 -99.6(7) . . . . ?
C144 C145 C149 C152 140.4(5) . . . . ?
C145 C146 C147 C148 0.3(7) . . . . ?
C145 C146 C147 C153 -179.3(5) . . . . ?
C146 C145 C149 C150 -162.5(5) . . . . ?
C146 C145 C149 C151 76.6(7) . . . . ?
C146 C145 C149 C152 -43.4(7) . . . . ?
C146 C147 C148 C143 0.4(7) . . . . ?
C146 C147 C153 C154 -11.3(7) . . . . ?
C146 C147 C153 C155 108.9(6) . . . . ?
C146 C147 C153 C156 -131.4(5) . . . . ?
C148 C143 C144 C145 -1.0(7) . . . . ?
C148 C147 C153 C154 169.1(5) . . . . ?
C148 C147 C153 C155 -70.7(6) . . . . ?
C148 C147 C153 C156 49.0(7) . . . . ?
C149 C145 C146 C147 -177.6(5) . . . . ?
C153 C147 C148 C143 180.0(4) . . . . ?
C157 C158 C159 C160 0.6(8) . . . . ?
C157 C158 C159 C163 -179.4(5) . . . . ?
C158 C157 C162 C161 1.8(9) . . . . ?
C158 C159 C160 C161 0.2(9) . . . . ?
C158 C159 C163 C164 44.2(6) . . . . ?
C158 C159 C163 C165 -75.7(6) . . . . ?
C158 C159 C163 C166 165.5(5) . . . . ?
C159 C160 C161 C162 0.0(11) . . . . ?
C159 C160 C161 C167 -164.9(8) . . . . ?
C159 C160 C161 C267 165.3(8) . . . . ?
C160 C159 C163 C164 -135.7(6) . . . . ?
C160 C159 C163 C165 104.4(6) . . . . ?
C160 C159 C163 C166 -14.4(7) . . . . ?
C160 C161 C162 C157 -1.0(11) . . . . ?
C160 C161 C167 C168 -1.2(16) . . . . ?
C160 C161 C167 C169 126.3(11) . . . . ?
C160 C161 C167 C170 -115.1(11) . . . . ?
C160 C161 C267 C268 -178.7(10) . . . . ?
C160 C161 C267 C269 -53.6(14) . . . . ?
C160 C161 C267 C270 64.4(13) . . . . ?
C162 C157 C158 C159 -1.6(8) . . . . ?
C162 C161 C167 C168 -165.9(11) . . . . ?
C162 C161 C167 C169 -38.4(14) . . . . ?
C162 C161 C167 C170 80.2(11) . . . . ?
C162 C161 C267 C268 -13.9(16) . . . . ?
C162 C161 C267 C269 111.1(12) . . . . ?
C162 C161 C267 C270 -130.9(11) . . . . ?
C163 C159 C160 C161 -179.8(6) . . . . ?
C191 C192 C193 Co21 59.4(6) . . . . ?
C191 C192 C193 C194 -0.9(11) . . . . ?
C192 C191 C195 Co21 -60.5(6) . . . . ?
C192 C191 C195 C194 1.0(9) . . . . ?
C192 C193 C194 Co21 61.4(7) . . . . ?
C192 C193 C194 C195 1.5(12) . . . . ?
C193 C194 C195 Co21 60.4(7) . . . . ?
C193 C194 C195 C191 -1.5(11) . . . . ?
C195 C191 C192 Co21 59.1(6) . . . . ?
C195 C191 C192 C193 -0.1(10) . . . . ?
C167 C161 C162 C157 164.3(8) . . . . ?
P171 O174 C171 C172 -135.7(5) . . . . ?
P171 O175 C173 C174 116.5(6) . . . . ?
P172 O176 C175 C176 150.9(5) . . . . ?
P172 O177 C177 C178 -149.1(5) . . . . ?
P173 O178 C179 C180 -116.2(6) . . . . ?
P173 O179 C181 C182 96.6(7) . . . . ?
O171 P171 O174 C171 -54.2(6) . . . . ?
O171 P171 O175 C173 -45.3(7) . . . . ?
O172 P172 O176 C175 -50.1(6) . . . . ?
O172 P172 O177 C177 -31.8(6) . . . . ?
O173 P173 O178 C179 -51.2(7) . . . . ?
O173 P173 O179 C181 -21.1(6) . . . . ?
O174 P171 O171 Dy21 -107.1(4) . . . . ?
O174 P171 O175 C173 -159.7(6) . . . . ?
O175 P171 O171 Dy21 145.8(4) . . . . ?
O175 P171 O174 C171 58.0(6) . . . . ?
O176 P172 O172 Dy21 -116.8(4) . . . . ?
O176 P172 O177 C177 -146.1(6) . . . . ?
O177 P172 O172 Dy21 135.8(4) . . . . ?
O177 P172 O176 C175 61.9(5) . . . . ?
O178 P173 O173 Dy21 -118.2(4) . . . . ?
O178 P173 O179 C181 -135.8(6) . . . . ?
O179 P173 O173 Dy21 134.0(4) . . . . ?
O179 P173 O178 C179 61.5(6) . . . . ?
C267 C161 C162 C157 -165.9(8) . . . . ?
P271 O274 C271 C272 -178(3) . . . . ?
P271 O275 C273 C274 129(4) . . . . ?
P272 O276 C275 C276 -121(4) . . . . ?
P272 O277 C277 C278 -109(4) . . . . ?
P273 O278 C279 C280 -82(3) . . . . ?
P273 O279 C281 C282 54(6) . . . . ?
O271 P271 O274 C271 -39(3) . . . . ?
O271 P271 O275 C273 -20(4) . . . . ?
O272 P272 O276 C275 -47(3) . . . . ?
O272 P272 O277 C277 20(4) . . . . ?
O273 P273 O278 C279 -52(3) . . . . ?
O273 P273 O279 C281 -60(3) . . . . ?
O274 P271 O271 Dy21 -103(2) . . . . ?
O274 P271 O275 C273 -138(4) . . . . ?
O275 P271 O271 Dy21 146(2) . . . . ?
O275 P271 O274 C271 74(3) . . . . ?
O276 P272 O272 Dy21 -93(2) . . . . ?
O276 P272 O277 C277 -102(4) . . . . ?
O277 P272 O272 Dy21 151(2) . . . . ?
O277 P272 O276 C275 70(3) . . . . ?
O278 P273 O273 Dy21 -87(2) . . . . ?
O278 P273 O279 C281 -175(3) . . . . ?
O279 P273 O273 Dy21 166(2) . . . . ?
O279 P273 O278 C279 59(3) . . . . ?
Dy1 N1 C1 C2 154.6(3) . . . . ?
Dy1 N1 C1 C20 -28.3(6) . . . . ?
Dy1 N1 C4 C3 -155.0(3) . . . . ?
Dy1 N1 C4 C5 27.3(7) . . . . ?
Dy1 N2 C6 C5 -33.4(6) . . . . ?
Dy1 N2 C6 C7 152.8(3) . . . . ?
Dy1 N2 C9 C8 -151.9(3) . . . . ?
Dy1 N2 C9 C10 31.2(6) . . . . ?
Dy1 N3 C11 C10 -32.9(6) . . . . ?
Dy1 N3 C11 C12 146.9(3) . . . . ?
Dy1 N3 C14 C13 -147.1(3) . . . . ?
Dy1 N3 C14 C15 34.4(6) . . . . ?
Dy1 N4 C16 C15 -33.3(6) . . . . ?
Dy1 N4 C16 C17 149.2(3) . . . . ?
Dy1 N4 C19 C18 -148.0(3) . . . . ?
Dy1 N4 C19 C20 34.2(6) . . . . ?
Co1 P71 O71 Dy1 3.8(4) . . . . ?
Co1 P71 O74 C71 -105.1(5) . . . . ?
Co1 P71 O75 C73 -178.1(4) . . . . ?
Co1 P72 O72 Dy1 13.8(4) . . . . ?
Co1 P72 O76 C75 -115.1(9) . . . . ?
Co1 P72 O76 C75A -98(2) . . . . ?
Co1 P72 O77 C77 172.7(4) . . . . ?
Co1 P73 O73 Dy1 3.3(4) . . . . ?
Co1 P73 O78 C79 -83.4(4) . . . . ?
Co1 P73 O79 C81 -178.9(5) . . . . ?
Co1 C91 C92 C93 -59.8(4) . . . . ?
Co1 C91 C95 C94 60.1(4) . . . . ?
Co1 C92 C93 C94 -60.2(4) . . . . ?
Co1 C93 C94 C95 -60.8(4) . . . . ?
Co1 C94 C95 C91 -60.3(4) . . . . ?
P71 O74 C71 C72 -105.1(7) . . . . ?
P71 O75 C73 C74 162(2) . . . . ?
P71 O75 C73 C74A 129.0(14) . . . . ?
P72 O76 C75 C76 -114.1(15) . . . . ?
P72 O76 C75A C76A -164(4) . . . . ?
P72 O77 C77 C78 -169.7(4) . . . . ?
P73 O78 C79 C80 148.9(5) . . . . ?
P73 O79 C81 C82 -151.5(7) . . . . ?
O71 P71 O74 C71 29.1(6) . . . . ?
O71 P71 O75 C73 51.4(5) . . . . ?
O72 P72 O76 C75 17.0(10) . . . . ?
O72 P72 O76 C75A 34(2) . . . . ?
O72 P72 O77 C77 42.7(5) . . . . ?
O73 P73 O78 C79 50.5(5) . . . . ?
O73 P73 O79 C81 51.0(6) . . . . ?
O74 P71 O71 Dy1 -126.3(3) . . . . ?
O74 P71 O75 C73 -61.3(5) . . . . ?
O75 P71 O71 Dy1 126.3(3) . . . . ?
O75 P71 O74 C71 143.3(5) . . . . ?
O76 P72 O72 Dy1 -114.8(3) . . . . ?
O76 P72 O77 C77 -70.1(5) . . . . ?
O77 P72 O72 Dy1 138.1(3) . . . . ?
O77 P72 O76 C75 130.6(9) . . . . ?
O77 P72 O76 C75A 148(2) . . . . ?
O78 P73 O73 Dy1 -127.5(3) . . . . ?
O78 P73 O79 C81 -61.0(5) . . . . ?
O79 P73 O73 Dy1 126.8(3) . . . . ?
O79 P73 O78 C79 163.3(4) . . . . ?
N1 C1 C2 C3 -0.3(6) . . . . ?
N1 C1 C20 C19 -4.0(8) . . . . ?
N1 C1 C20 C57 175.1(4) . . . . ?
N1 C4 C5 C6 7.4(8) . . . . ?
N1 C4 C5 C21 177.8(5) . . . . ?
N2 C6 C7 C8 0.6(5) . . . . ?
N2 C9 C10 C11 1.7(8) . . . . ?
N2 C9 C10 C43 -179.9(4) . . . . ?
N3 C11 C12 C13 -1.5(6) . . . . ?
N3 C14 C15 C16 6.1(8) . . . . ?
N3 C14 C15 C32 -174.8(5) . . . . ?
N4 C16 C17 C18 0.1(6) . . . . ?
N4 C19 C20 C1 1.1(8) . . . . ?
N4 C19 C20 C57 -178.1(4) . . . . ?
C1 N1 C4 C3 -0.5(5) . . . . ?
C1 N1 C4 C5 -178.2(5) . . . . ?
C1 C2 C3 C4 0.0(6) . . . . ?
C1 C20 C57 C58 107.9(5) . . . . ?
C1 C20 C57 C62 -71.1(6) . . . . ?
C2 C1 C20 C19 172.6(5) . . . . ?
C2 C1 C20 C57 -8.2(7) . . . . ?
C2 C3 C4 N1 0.3(6) . . . . ?
C2 C3 C4 C5 178.1(5) . . . . ?
C3 C4 C5 C6 -170.0(5) . . . . ?
C3 C4 C5 C21 0.4(7) . . . . ?
C4 N1 C1 C2 0.5(5) . . . . ?
C4 N1 C1 C20 177.6(4) . . . . ?
C4 C5 C6 N2 -4.2(8) . . . . ?
C4 C5 C6 C7 168.6(5) . . . . ?
C5 C6 C7 C8 -173.1(4) . . . . ?
C6 N2 C9 C8 1.6(5) . . . . ?
C6 N2 C9 C10 -175.3(4) . . . . ?
C6 C7 C8 C9 0.4(6) . . . . ?
C7 C8 C9 N2 -1.3(6) . . . . ?
C7 C8 C9 C10 175.6(5) . . . . ?
C8 C9 C10 C11 -174.8(5) . . . . ?
C8 C9 C10 C43 3.6(7) . . . . ?
C9 N2 C6 C5 172.4(4) . . . . ?
C9 N2 C6 C7 -1.3(5) . . . . ?
C9 C10 C11 N3 -0.2(8) . . . . ?
C9 C10 C11 C12 -179.9(5) . . . . ?
C9 C10 C43 C44 72.9(6) . . . . ?
C9 C10 C43 C48 -105.8(5) . . . . ?
C10 C11 C12 C13 178.3(5) . . . . ?
C10 C43 C44 C45 -177.9(5) . . . . ?
C10 C43 C48 C47 178.9(4) . . . . ?
C11 N3 C14 C13 -0.5(5) . . . . ?
C11 N3 C14 C15 -179.0(5) . . . . ?
C11 C10 C43 C44 -108.6(5) . . . . ?
C11 C10 C43 C48 72.8(6) . . . . ?
C11 C12 C13 C14 1.2(6) . . . . ?
C12 C13 C14 N3 -0.4(6) . . . . ?
C12 C13 C14 C15 178.1(5) . . . . ?
C13 C14 C15 C16 -172.1(5) . . . . ?
C13 C14 C15 C32 6.9(7) . . . . ?
C14 N3 C11 C10 -178.6(5) . . . . ?
C14 N3 C11 C12 1.2(5) . . . . ?
C14 C15 C16 N4 -7.0(8) . . . . ?
C14 C15 C16 C17 170.1(5) . . . . ?
C15 C16 C17 C18 -177.3(5) . . . . ?
C16 N4 C19 C18 0.1(5) . . . . ?
C16 N4 C19 C20 -177.6(4) . . . . ?
C16 C17 C18 C19 0.0(6) . . . . ?
C17 C18 C19 N4 -0.1(6) . . . . ?
C17 C18 C19 C20 177.7(5) . . . . ?
C18 C19 C20 C1 -176.4(5) . . . . ?
C18 C19 C20 C57 4.5(7) . . . . ?
C19 N4 C16 C15 177.3(5) . . . . ?
C19 N4 C16 C17 -0.2(5) . . . . ?
C19 C20 C57 C58 -72.9(6) . . . . ?
C19 C20 C57 C62 108.1(5) . . . . ?
C20 C1 C2 C3 -177.4(5) . . . . ?
C20 C57 C58 C59 -178.4(5) . . . . ?
C20 C57 C62 C61 179.0(4) . . . . ?
C21 C5 C6 N2 -174.4(4) . . . . ?
C21 C5 C6 C7 -1.6(7) . . . . ?
C22 Si1 C23 C24 24.6(5) . . . . ?
C22 Si1 C23 C25 151.3(4) . . . . ?
C22 Si1 C26 C27 56.7(5) . . . . ?
C22 Si1 C26 C28 -176.2(4) . . . . ?
C22 Si1 C29 C30 -56.9(5) . . . . ?
C22 Si1 C29 C31 66.8(5) . . . . ?
C23 Si1 C26 C27 -62.0(5) . . . . ?
C23 Si1 C26 C28 65.1(5) . . . . ?
C23 Si1 C29 C30 63.1(5) . . . . ?
C23 Si1 C29 C31 -173.1(4) . . . . ?
C26 Si1 C23 C24 141.3(5) . . . . ?
C26 Si1 C23 C25 -92.1(5) . . . . ?
C26 Si1 C29 C30 -171.8(4) . . . . ?
C26 Si1 C29 C31 -48.0(5) . . . . ?
C29 Si1 C23 C24 -93.4(5) . . . . ?
C29 Si1 C23 C25 33.3(5) . . . . ?
C29 Si1 C26 C27 171.4(4) . . . . ?
C29 Si1 C26 C28 -61.4(5) . . . . ?
C32 C15 C16 N4 173.9(5) . . . . ?
C32 C15 C16 C17 -9.0(8) . . . . ?
C33 Si2 C34 C35 58.1(6) . . . . ?
C33 Si2 C34 C36 -65.9(5) . . . . ?
C33 Si2 C37 C38 -70.4(5) . . . . ?
C33 Si2 C37 C39 163.0(4) . . . . ?
C33 Si2 C40 C41 167.2(4) . . . . ?
C33 Si2 C40 C42 38.9(5) . . . . ?
C34 Si2 C37 C38 172.5(4) . . . . ?
C34 Si2 C37 C39 45.8(5) . . . . ?
C34 Si2 C40 C41 -76.5(5) . . . . ?
C34 Si2 C40 C42 155.1(5) . . . . ?
C37 Si2 C34 C35 175.6(6) . . . . ?
C37 Si2 C34 C36 51.6(5) . . . . ?
C37 Si2 C40 C41 47.5(5) . . . . ?
C37 Si2 C40 C42 -80.8(5) . . . . ?
C40 Si2 C34 C35 -57.9(6) . . . . ?
C40 Si2 C34 C36 178.1(5) . . . . ?
C40 Si2 C37 C38 48.7(5) . . . . ?
C40 Si2 C37 C39 -77.9(5) . . . . ?
C43 C10 C11 N3 -178.6(4) . . . . ?
C43 C10 C11 C12 1.7(7) . . . . ?
C43 C44 C45 C46 -0.6(8) . . . . ?
C43 C44 C45 C49 178.7(5) . . . . ?
C44 C43 C48 C47 0.2(7) . . . . ?
C44 C45 C46 C47 -0.8(8) . . . . ?
C44 C45 C49 C50 -60.9(7) . . . . ?
C44 C45 C49 C51 -179.8(5) . . . . ?
C44 C45 C49 C52 59.3(7) . . . . ?
C45 C46 C47 C48 1.8(8) . . . . ?
C45 C46 C47 C53 -177.4(5) . . . . ?
C46 C45 C49 C50 118.4(6) . . . . ?
C46 C45 C49 C51 -0.6(8) . . . . ?
C46 C45 C49 C52 -121.5(6) . . . . ?
C46 C47 C48 C43 -1.5(7) . . . . ?
C46 C47 C53 C54 -8.0(8) . . . . ?
C46 C47 C53 C55 -129.2(6) . . . . ?
C46 C47 C53 C56 111.5(6) . . . . ?
C48 C43 C44 C45 0.8(7) . . . . ?
C48 C47 C53 C54 172.7(5) . . . . ?
C48 C47 C53 C55 51.6(7) . . . . ?
C48 C47 C53 C56 -67.7(7) . . . . ?
C49 C45 C46 C47 179.9(5) . . . . ?
C53 C47 C48 C43 177.8(5) . . . . ?
C57 C58 C59 C60 -1.0(7) . . . . ?
C57 C58 C59 C63 -179.9(5) . . . . ?
C58 C57 C62 C61 0.0(7) . . . . ?
C58 C59 C60 C61 0.9(7) . . . . ?
C58 C59 C63 C64 -13.4(7) . . . . ?
C58 C59 C63 C65 -133.3(5) . . . . ?
C58 C59 C63 C66 106.5(6) . . . . ?
C59 C60 C61 C62 -0.4(7) . . . . ?
C59 C60 C61 C67 178.0(5) . . . . ?
C60 C59 C63 C64 167.7(5) . . . . ?
C60 C59 C63 C65 47.8(6) . . . . ?
C60 C59 C63 C66 -72.4(6) . . . . ?
C60 C61 C62 C57 -0.1(7) . . . . ?
C60 C61 C67 C68 19.4(7) . . . . ?
C60 C61 C67 C69 139.2(5) . . . . ?
C60 C61 C67 C70 -100.2(6) . . . . ?
C62 C57 C58 C59 0.6(7) . . . . ?
C62 C61 C67 C68 -162.3(5) . . . . ?
C62 C61 C67 C69 -42.5(7) . . . . ?
C62 C61 C67 C70 78.1(6) . . . . ?
C63 C59 C60 C61 179.8(5) . . . . ?
C67 C61 C62 C57 -178.5(4) . . . . ?
C91 C92 C93 Co1 60.2(4) . . . . ?
C91 C92 C93 C94 0.0(6) . . . . ?
C92 C91 C95 Co1 -60.3(4) . . . . ?
C92 C91 C95 C94 -0.2(7) . . . . ?
C92 C93 C94 Co1 60.7(4) . . . . ?
C92 C93 C94 C95 -0.1(6) . . . . ?
C93 C94 C95 Co1 60.5(4) . . . . ?
C93 C94 C95 C91 0.2(6) . . . . ?
C95 C91 C92 Co1 60.0(4) . . . . ?
C95 C91 C92 C93 0.1(6) . . . . ?
C291 C292 C293 Co21 61.5(17) . . . . ?
C291 C292 C293 C294 -2(3) . . . . ?
C292 C291 C295 Co21 -60.1(16) . . . . ?
C292 C291 C295 C294 0(3) . . . . ?
C292 C293 C294 Co21 57.6(19) . . . . ?
C292 C293 C294 C295 2(3) . . . . ?
C293 C294 C295 Co21 55.0(19) . . . . ?
C293 C294 C295 C291 -1(3) . . . . ?
C295 C291 C292 Co21 64.4(18) . . . . ?
C295 C291 C292 C293 1(3) . . . . ?

_olex2_diffrn_ambient_temperature_device 'Oxford Cryosystems'
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.789
_oxdiff_exptl_absorpt_empirical_full_min 0.585
_oxdiff_twin_integration_method  simultaneous
_oxdiff_twin_items               2
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
_oxdiff_twin_reflns_isolated
_oxdiff_twin_reflns_overlapped
_twin_individual_twin_lattice_type
_twin_individual_twin_matrix_11
_twin_individual_twin_matrix_12
_twin_individual_twin_matrix_13
_twin_individual_twin_matrix_21
_twin_individual_twin_matrix_22
_twin_individual_twin_matrix_23
_twin_individual_twin_matrix_31
_twin_individual_twin_matrix_32
_twin_individual_twin_matrix_33
1 0.4440(4) 59788 193570 ref 1.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000
0.0000 1.0000
2 0.5560(4) 59932 193570 nmt 0.9983 0.2355 0.0606 -0.0001 -0.9983 0.0000
-0.0008 -0.0002 -0.9981

_twin_special_details            
;
Component 2 rotated by -179.9960° 
 around [1.00 -0.00 -0.00] (reciprocal) or [0.99 0.12 0.03] (direct)
;
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_P1Tb
_database_code_depnum_ccdc_archive 'CCDC 1565180'
_audit_update_record             
;
2017-07-27 deposited with the CCDC.
2018-10-18 downloaded from the CCDC.
;
_audit_creation_date             2017-07-26
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2017.07.04 svn.r3439 for OlexSys, GUI svn.r5361)
;
#2016ncs0592
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C87 H127 Co N4 O9 P3 Si2 Tb, 1.5(CH2Cl2)'
_chemical_formula_sum            'C88.50 H130 Cl3 Co N4 O9 P3 Si2 Tb'
_chemical_formula_weight         1867.25
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C55H83 (C14H21)2 Co N4 O9 P3 Si2 Tb'
_chemical_oxdiff_usercomment     Tb-Por
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   31.5498(4)
_cell_length_b                   16.09500(10)
_cell_length_c                   19.4714(2)
_cell_angle_alpha                90
_cell_angle_beta                 107.3060(10)
_cell_angle_gamma                90
_cell_volume                     9439.85(17)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    96961
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.1670
_cell_measurement_theta_min      1.8290
_shelx_estimated_absorpt_T_max   0.955
_shelx_estimated_absorpt_T_min   0.714
_exptl_absorpt_coefficient_mu    1.134
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.348
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.28e (Rigaku Oxford Diffraction, 2015)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'iridescent purple'
_exptl_crystal_colour_primary    'iridescent purple'
_exptl_crystal_density_diffrn    1.314
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             3908
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-1 0 1 0.1309
-1 0 -1 0.0156
1 0 1 0.0252
0 1 0 0.1345
1 0 -1 0.1325
0 -1 0 0.1454

_exptl_crystal_recrystallization_method 
'The material was obtained from a mixture of methanol and DCM'
_exptl_crystal_size_max          0.319
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.041
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-0.9996 0.0003 0.9997 0.0371 -0.0078 -0.0064
-0.9999 0.0001 -0.9987 -0.0315 -0.0390 0.0053
0.9999 -0.0001 0.9987 0.0315 0.0390 -0.0053
-0.0002 0.9996 0.0004 0.0075 -0.0001 0.0434
0.9996 -0.0003 -0.9997 -0.0371 0.0078 0.0064
0.0002 -0.9996 -0.0004 -0.0075 0.0001 -0.0434

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0656
_diffrn_reflns_av_unetI/netI     0.0249
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            315944
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.485
_diffrn_reflns_theta_min         1.852
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'hybrid pixel detector'
_diffrn_detector_area_resol_mean 10
_diffrn_detector_dtime           0.000
_diffrn_detector_type            'Rigaku, HyPix 6000'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -66.00  67.00   0.50   13.00    --  -22.80  57.00-150.00  266
  2  ω    -66.00  67.00   0.50   13.00    --  -22.80  57.00  90.00  266
  3  ω    -66.00  67.00   0.50   13.00    --  -22.80  65.00 -90.00  266
  4  ω    -66.00  67.00   0.50   13.00    --  -22.80  65.00 120.00  266
  5  ω    -66.00  67.00   0.50   13.00    --  -22.80  65.00   0.00  266
  6  ω    -66.00  67.00   0.50   13.00    --  -22.80  65.00-180.00  266
  7  ω    -66.00  67.00   0.50   13.00    --  -22.80  65.00 -30.00  266
  8  ω   -112.00  21.00   0.50   13.00    --  -22.80 -65.00  90.00  266
  9  ω   -112.00  21.00   0.50   13.00    --  -22.80 -57.00 150.00  266
 10  ω   -112.00  21.00   0.50   13.00    --  -22.80 -57.00 -30.00  266
 11  ω   -112.00  21.00   0.50   13.00    --  -22.80 -65.00-150.00  266
 12  ω   -112.00  21.00   0.50   13.00    --  -22.80 -65.00  30.00  266
 13  ω   -112.00  21.00   0.50   13.00    --  -22.80 -65.00 -90.00  266
 14  ω   -112.00  -2.00   0.50   13.00    --  -22.80 -65.00 -30.00  220
 15  ω   -112.00  21.00   0.50   13.00    --  -22.80 -65.00 150.00  266
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_details 'Rigaku, AFC11 quarter χ goniometer'
_diffrn_measurement_device_type  
'Rigaku FRE+ equipped with VHF Varimax confocal mirrors and an AFC12 goniometer and HyPix 6000 detector'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support 'MiTeGen MicroLoop'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0027497000
_diffrn_orient_matrix_UB_12      0.0075029000
_diffrn_orient_matrix_UB_13      0.0343243000
_diffrn_orient_matrix_UB_21      0.0233787000
_diffrn_orient_matrix_UB_22      -0.0001332000
_diffrn_orient_matrix_UB_23      0.0156166000
_diffrn_orient_matrix_UB_31      0.0005547000
_diffrn_orient_matrix_UB_32      0.0434113000
_diffrn_orient_matrix_UB_33      -0.0058862000
_diffrn_radiation_collimation    0.2
_diffrn_radiation_monochromator  'Confocal mirrors, VHF Varimax'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_xray_symbol    K-L~3~
_diffrn_source                   'Rotating Anode'
_diffrn_source_current           55.0
_diffrn_source_power             2.475
_diffrn_source_target            Mo
_diffrn_source_type              'Rigaku FRE+'
_diffrn_source_voltage           45.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                17246
_reflns_number_total             21622
_reflns_odcompleteness_completeness 99.91
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.42
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.28e (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.28e (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.28e (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.928
_refine_diff_density_min         -1.148
_refine_diff_density_rms         0.138
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1228
_refine_ls_number_reflns         21622
_refine_ls_number_restraints     3508
_refine_ls_R_factor_all          0.1022
_refine_ls_R_factor_gt           0.0872
_refine_ls_restrained_S_all      1.043
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1460P)²+35.4756P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2518
_refine_ls_wR_factor_ref         0.2681
_refine_special_details          
'There is significant disorder in the crystal. Although it is likely there are 2 positions for the system based on the Tb disorder, it was not possible to suitably model the lesser component for anything but the Tb ions. The cobalt disorder and phosphine ligands disorder would be expected to appear in both systems as well. Due to all this a number of restraints (DFIX, SADI, SAME, SIMU, DELU and BUMP) have been applied. There is also 1.5 molecules of highly disordered DCM be asymmetric unit that have been removed from the calculations using solvent masking.'
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 O206-C205 = O207-C207 = O208-C209 = O209-C211 = O204-C201 = O205-C203
 1.45 with sigma of 0.04
 Si1-C23 \\sim Si1-C26 \\sim Si1-C29 \\sim Si2-C40 \\sim Si2-C34 \\sim Si2-C37
 with sigma of 0.02
 C25-C24 \\sim C27-C28 \\sim C30-C31 \\sim C35-C36 \\sim C38-C39 \\sim C41-C42
 with sigma of 0.02
 C31-C29 \\sim C29-C30 \\sim C28-C26 \\sim C26-C27 \\sim C25-C23 \\sim C23-C24
 with sigma of 0.02
 C35-C34 \\sim C34-C36 \\sim C41-C40 \\sim C40-C42 \\sim C39-C37 \\sim C37-C38
 with sigma of 0.02
 C39-Si2 \\sim Si2-C38 \\sim C42-Si2 \\sim Si2-C41 \\sim C36-Si2 \\sim Si2-C35
 with sigma of 0.02
 C30-Si1 \\sim Si1-C31 \\sim C24-Si1 \\sim Si1-C25 \\sim C28-Si1 \\sim Si1-C27
 with sigma of 0.02
 C68-C61 \\sim C61-C69 \\sim C61-C70 \\sim C65-C59 \\sim C59-C66 \\sim C59-C64
 with sigma of 0.02
 C50-C45 \\sim C45-C51 \\sim C45-C52 \\sim C56-C47 \\sim C47-C55 \\sim C47-C54
 with sigma of 0.02
 C63-C59 \\sim C67-C61 \\sim C49-C45 \\sim C53-C47
 with sigma of 0.02
 C59-C64 \\sim C59-C65 \\sim C59-C66 \\sim C64-C65 \\sim C65-C66
 with sigma of 0.04
 C63-C59 \\sim C63-C64 \\sim C63-C65 \\sim C63-C66
 with sigma of 0.02
 C61-C68 \\sim C61-C69 \\sim C68-C70 \\sim C69-C70
 with sigma of 0.04
 C67-C61 \\sim C67-C68 \\sim C67-C69 \\sim C67-C70
 with sigma of 0.02
 C45-C50 \\sim C45-C51 \\sim C45-C52 \\sim C50-C51 \\sim C50-C52 \\sim C51-C52
 with sigma of 0.04
 C49-C45 \\sim C49-C50 \\sim C49-C51 \\sim C49-C52
 with sigma of 0.02
 C47-C54 \\sim C47-C55 \\sim C47-C56 \\sim C54-C55 \\sim C54-C56 \\sim C55-C56
 with sigma of 0.04
 C53-C47 \\sim C53-C54 \\sim C53-C55 \\sim C53-C56
 with sigma of 0.02
 O106-C105 \\sim O107-C107 \\sim O108-C109 \\sim O109-C111 \\sim O104-C101
\\sim O105-C103
 with sigma of 0.02
 C106-C105 \\sim C108-C107 \\sim C110-C109 \\sim C112-C111 \\sim C102-C101
\\sim C104-C103
 with sigma of 0.02
 P102-O107 \\sim P102-O106 \\sim P103-O108 \\sim P103-O109 \\sim P101-O104
\\sim P101-O105
 with sigma of 0.02
 C106-O106 \\sim C108-O107 \\sim C110-O108 \\sim O109-C112 \\sim O104-C102
\\sim O105-C104
 with sigma of 0.02
 P102-O102 \\sim P103-O103 \\sim P101-O101
 with sigma of 0.02
 O104-O105 \\sim O106-O107 \\sim O108-O109
 with sigma of 0.02
 O206-C205 \\sim O207-C207 \\sim O208-C209 \\sim O209-C211 \\sim O204-C201
\\sim O205-C203
 with sigma of 0.02
 C206-C205 \\sim C208-C207 \\sim C210-C209 \\sim C212-C211 \\sim C202-C201
\\sim C204-C203
 with sigma of 0.02
 P202-O207 \\sim P202-O206 \\sim P203-O208 \\sim P203-O209 \\sim P201-O204
\\sim P201-O205
 with sigma of 0.02
 C206-O206 \\sim C208-O207 \\sim C210-O208 \\sim O209-C212 \\sim O204-C202
\\sim O205-C204
 with sigma of 0.02
 P202-O202 \\sim P203-O203 \\sim P201-O201
 with sigma of 0.02
 O204-O205 \\sim O206-O207 \\sim O208-O209
 with sigma of 0.02
 Co2-C222 \\sim Co2-C221 \\sim Co2-C223 \\sim Co2-C225 \\sim Co2-C224
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.04 and sigma
for terminal atoms of 0.08
4. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Same fragment restrains
{P101, P102, P103, O101, O102, O103, O104, O105, O106, O107, O108, O109, C101,
C102, C103, C104, C105, C106, C107, C108, C109, C110, C111, C112} sigma for
1-2: 0.02, 1-3: 0.04
as
{P201, P202, P203, O201, O202, O203, O204, O205, O206, O207, O208, O209, C201,
C202, C203, C204, C205, C206, C207, C208, C209, C210, C211, C212}
6. Others
 Sof(Tb2)=1-FVAR(1)
 Sof(Tb1)=FVAR(1)
 Sof(Co2)=Sof(C221)=Sof(H221)=Sof(C222)=Sof(H222)=Sof(C223)=Sof(H223)=
 Sof(C224)=Sof(H224)=Sof(C225)=Sof(H225)=1-FVAR(2)
 Sof(Co1)=Sof(C121)=Sof(H121)=Sof(C122)=Sof(H122)=Sof(C123)=Sof(H123)=
 Sof(C124)=Sof(H124)=Sof(C125)=Sof(H125)=FVAR(2)
 Sof(P201)=Sof(P202)=Sof(P203)=Sof(O201)=Sof(O202)=Sof(O203)=Sof(O204)=
 Sof(O205)=Sof(O206)=Sof(O207)=Sof(O208)=Sof(O209)=Sof(C201)=Sof(H20A)=
 Sof(H20B)=Sof(C202)=Sof(H20C)=Sof(H20D)=Sof(H20E)=Sof(C203)=Sof(H20F)=
 Sof(H20G)=Sof(C204)=Sof(H20H)=Sof(H20I)=Sof(H20J)=Sof(C205)=Sof(H20K)=
 Sof(H20L)=Sof(C206)=Sof(H20M)=Sof(H20N)=Sof(H20O)=Sof(C207)=Sof(H20P)=
 Sof(H20Q)=Sof(C208)=Sof(H20R)=Sof(H20S)=Sof(H20T)=Sof(C209)=Sof(H20U)=
 Sof(H20V)=Sof(C210)=Sof(H21A)=Sof(H21B)=Sof(H21C)=Sof(C211)=Sof(H21D)=
 Sof(H21E)=Sof(C212)=Sof(H21F)=Sof(H21G)=Sof(H21H)=1-FVAR(3)
 Sof(P101)=Sof(P102)=Sof(P103)=Sof(O101)=Sof(O102)=Sof(O103)=Sof(O104)=
 Sof(O105)=Sof(O106)=Sof(O107)=Sof(O108)=Sof(O109)=Sof(C101)=Sof(H10A)=
 Sof(H10B)=Sof(C102)=Sof(H10C)=Sof(H10D)=Sof(H10E)=Sof(C103)=Sof(H10F)=
 Sof(H10G)=Sof(C104)=Sof(H10H)=Sof(H10I)=Sof(H10J)=Sof(C105)=Sof(H10K)=
 Sof(H10L)=Sof(C106)=Sof(H10M)=Sof(H10N)=Sof(H10O)=Sof(C107)=Sof(H10P)=
 Sof(H10Q)=Sof(C108)=Sof(H10R)=Sof(H10S)=Sof(H10T)=Sof(C109)=Sof(H10U)=
 Sof(H10V)=Sof(C110)=Sof(H11A)=Sof(H11B)=Sof(H11C)=Sof(C111)=Sof(H11D)=
 Sof(H11E)=Sof(C112)=Sof(H11F)=Sof(H11G)=Sof(H11H)=FVAR(3)
7.a Ternary CH refined with riding coordinates:
 C23(H23), C26(H26), C29(H29), C34(H34), C37(H37), C40(H40)
7.b Secondary CH2 refined with riding coordinates:
 C101(H10A,H10B), C103(H10F,H10G), C105(H10K,H10L), C107(H10P,H10Q), C109(H10U,
 H10V), C111(H11D,H11E), C201(H20A,H20B), C203(H20F,H20G), C205(H20K,H20L),
 C207(H20P,H20Q), C209(H20U,H20V), C211(H21D,H21E)
7.c Me refined with riding coordinates:
 C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C27(H27A,H27B,H27C), C28(H28A,H28B,
 H28C), C30(H30A,H30B,H30C), C31(H31A,H31B,H31C), C35(H35A,H35B,H35C), C36(H36A,
 H36B,H36C), C38(H38A,H38B,H38C), C39(H39A,H39B,H39C), C41(H41A,H41B,H41C),
 C42(H42A,H42B,H42C), C50(H50A,H50B,H50C), C51(H51A,H51B,H51C), C52(H52A,H52B,
 H52C), C54(H54A,H54B,H54C), C55(H55A,H55B,H55C), C56(H56A,H56B,H56C), C64(H64A,
 H64B,H64C), C65(H65A,H65B,H65C), C66(H66A,H66B,H66C), C68(H68A,H68B,H68C),
 C69(H69A,H69B,H69C), C70(H70A,H70B,H70C), C102(H10C,H10D,H10E), C104(H10H,H10I,
 H10J), C106(H10M,H10N,H10O), C108(H10R,H10S,H10T), C110(H11A,H11B,H11C),
 C112(H11F,H11G,H11H), C202(H20C,H20D,H20E), C204(H20H,H20I,H20J), C206(H20M,
 H20N,H20O), C208(H20R,H20S,H20T), C210(H21A,H21B,H21C), C212(H21F,H21G,H21H)
7.d Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C7(H7), C8(H8), C12(H12), C13(H13), C17(H17), C18(H18),
 C44(H44), C46(H46), C48(H48), C58(H58), C60(H60), C62(H62), C121(H121),
 C122(H122), C123(H123), C124(H124), C125(H125), C221(H221), C222(H222),
 C223(H223), C224(H224), C225(H225)
7.e Fitted pentagon refined as free rotating group:
 C121(C122,C123,C124,C125), C221(C222,C223,C224,C225)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Tb1 Tb 0.26726(3) 0.30225(3) 0.46977(3) 0.04289(18) Uani 0.886(3) 1 d . U P A 3
Tb2 Tb 0.2441(4) 0.2885(3) 0.4554(3) 0.0594(18) Uani 0.114(3) 1 d . U P A 4
Co1 Co 0.27983(6) 0.36064(15) 0.26403(8) 0.0673(5) Uani 0.785(7) 1 d . U P A 3
Co2 Co 0.2852(3) 0.4046(8) 0.2739(4) 0.086(2) Uani 0.215(7) 1 d D U P A 4
Si1 Si 0.50379(10) 0.45872(17) 0.7097(2) 0.1038(10) Uani 1 1 d D U . . .
Si2 Si 0.02353(9) 0.1121(3) 0.3236(2) 0.1209(12) Uani 1 1 d D U . . .
N1 N 0.2876(2) 0.3901(3) 0.5731(3) 0.0533(11) Uani 1 1 d . U . . .
N2 N 0.2001(2) 0.3270(4) 0.5012(3) 0.0584(12) Uani 1 1 d . U . . .
N3 N 0.2376(2) 0.1660(3) 0.4834(3) 0.0545(11) Uani 1 1 d . U . . .
N4 N 0.32635(19) 0.2304(3) 0.5521(3) 0.0541(11) Uani 1 1 d . U . . .
C1 C 0.3315(2) 0.4084(4) 0.6085(4) 0.0568(13) Uani 1 1 d . U . . .
C2 C 0.3354(3) 0.4905(4) 0.6392(4) 0.0616(15) Uani 1 1 d . U . . .
H2 H 0.3618 0.5181 0.6654 0.074 Uiso 1 1 calc R . . . .
C3 C 0.2939(3) 0.5196(4) 0.6231(4) 0.0648(16) Uani 1 1 d . U . . .
H3 H 0.2857 0.5727 0.6364 0.078 Uiso 1 1 calc R . . . .
C4 C 0.2637(2) 0.4585(4) 0.5829(3) 0.0549(13) Uani 1 1 d . U . . .
C5 C 0.2169(3) 0.4641(4) 0.5577(3) 0.0577(13) Uani 1 1 d . U . . .
C6 C 0.1883(3) 0.4055(4) 0.5220(4) 0.0622(14) Uani 1 1 d . U . . .
C7 C 0.1402(3) 0.4093(6) 0.5021(5) 0.081(2) Uani 1 1 d . U . . .
H7 H 0.1231 0.4547 0.5104 0.098 Uiso 1 1 calc R . . . .
C8 C 0.1240(3) 0.3368(6) 0.4696(6) 0.084(2) Uani 1 1 d . U . . .
H8 H 0.0936 0.3222 0.4499 0.101 Uiso 1 1 calc R . . . .
C9 C 0.1618(3) 0.2862(5) 0.4709(5) 0.0724(18) Uani 1 1 d . U . . .
C10 C 0.1589(3) 0.2035(5) 0.4447(5) 0.0689(17) Uani 1 1 d . U . . .
C11 C 0.1956(3) 0.1473(4) 0.4546(4) 0.0606(14) Uani 1 1 d . U . . .
C12 C 0.1904(3) 0.0600(5) 0.4357(4) 0.0689(17) Uani 1 1 d . U . . .
H12 H 0.1633 0.0317 0.4142 0.083 Uiso 1 1 calc R . . . .
C13 C 0.2308(3) 0.0275(5) 0.4542(4) 0.0682(17) Uani 1 1 d . U . . .
H13 H 0.2379 -0.0287 0.4477 0.082 Uiso 1 1 calc R . . . .
C14 C 0.2617(3) 0.0920(4) 0.4858(4) 0.0609(14) Uani 1 1 d . U . . .
C15 C 0.3077(2) 0.0855(4) 0.5137(3) 0.0547(13) Uani 1 1 d . U . . .
C16 C 0.3387(2) 0.1492(4) 0.5459(4) 0.0544(13) Uani 1 1 d . U . . .
C17 C 0.3846(2) 0.1389(4) 0.5798(4) 0.0633(16) Uani 1 1 d . U . . .
H17 H 0.4008 0.0886 0.5825 0.076 Uiso 1 1 calc R . . . .
C18 C 0.4018(3) 0.2135(4) 0.6080(5) 0.0642(17) Uani 1 1 d . U . . .
H18 H 0.4319 0.2252 0.6334 0.077 Uiso 1 1 calc R . . . .
C19 C 0.3653(2) 0.2704(4) 0.5917(4) 0.0566(14) Uani 1 1 d . U . . .
C20 C 0.3681(3) 0.3544(4) 0.6146(4) 0.0589(14) Uani 1 1 d . U . . .
C21 C 0.4112(3) 0.3861(4) 0.6488(5) 0.0685(17) Uani 1 1 d . U . . .
C22 C 0.4476(3) 0.4146(5) 0.6762(6) 0.081(2) Uani 1 1 d . U . . .
C23 C 0.4972(4) 0.5740(6) 0.6842(7) 0.120(3) Uani 1 1 d D U . . .
H23 H 0.4862 0.5785 0.6305 0.143 Uiso 1 1 calc R . . . .
C24 C 0.5409(4) 0.6206(7) 0.7108(9) 0.146(5) Uani 1 1 d D U . . .
H24A H 0.5629 0.5948 0.6911 0.219 Uiso 1 1 calc R . . . .
H24B H 0.5364 0.6787 0.6950 0.219 Uiso 1 1 calc R . . . .
H24C H 0.5515 0.6186 0.7634 0.219 Uiso 1 1 calc R . . . .
C25 C 0.4640(4) 0.6145(6) 0.7148(10) 0.147(5) Uani 1 1 d D U . . .
H25A H 0.4356 0.5850 0.6980 0.220 Uiso 1 1 calc R . . . .
H25B H 0.4749 0.6125 0.7675 0.220 Uiso 1 1 calc R . . . .
H25C H 0.4598 0.6725 0.6990 0.220 Uiso 1 1 calc R . . . .
C26 C 0.5273(5) 0.4402(8) 0.8087(7) 0.147(4) Uani 1 1 d D U . . .
H26 H 0.5601 0.4359 0.8175 0.177 Uiso 1 1 calc R . . . .
C27 C 0.5215(8) 0.5046(11) 0.8576(8) 0.311(14) Uani 1 1 d D U . . .
H27A H 0.5302 0.5585 0.8426 0.467 Uiso 1 1 calc R . . . .
H27B H 0.4903 0.5067 0.8567 0.467 Uiso 1 1 calc R . . . .
H27C H 0.5402 0.4920 0.9066 0.467 Uiso 1 1 calc R . . . .
C28 C 0.5137(8) 0.3581(9) 0.8332(9) 0.244(11) Uani 1 1 d D U . . .
H28A H 0.5173 0.3139 0.8008 0.366 Uiso 1 1 calc R . . . .
H28B H 0.5323 0.3462 0.8822 0.366 Uiso 1 1 calc R . . . .
H28C H 0.4825 0.3609 0.8324 0.366 Uiso 1 1 calc R . . . .
C29 C 0.5387(5) 0.4036(10) 0.6633(9) 0.191(6) Uani 1 1 d D U . . .
H29 H 0.5679 0.4331 0.6759 0.229 Uiso 1 1 calc R . . . .
C30 C 0.5198(7) 0.4063(15) 0.5824(9) 0.242(9) Uani 1 1 d D U . . .
H30A H 0.5133 0.4640 0.5668 0.363 Uiso 1 1 calc R . . . .
H30B H 0.5415 0.3832 0.5606 0.363 Uiso 1 1 calc R . . . .
H30C H 0.4925 0.3735 0.5675 0.363 Uiso 1 1 calc R . . . .
C31 C 0.5482(10) 0.3153(12) 0.6853(15) 0.307(13) Uani 1 1 d D U . . .
H31A H 0.5605 0.3122 0.7378 0.460 Uiso 1 1 calc R . . . .
H31B H 0.5207 0.2830 0.6698 0.460 Uiso 1 1 calc R . . . .
H31C H 0.5697 0.2927 0.6629 0.460 Uiso 1 1 calc R . . . .
C32 C 0.1157(3) 0.1728(5) 0.4079(5) 0.078(2) Uani 1 1 d . U . . .
C33 C 0.0797(3) 0.1463(7) 0.3761(7) 0.096(3) Uani 1 1 d . U . . .
C34 C 0.0235(7) 0.1301(14) 0.2273(8) 0.234(8) Uani 1 1 d D U . . .
H34 H 0.0517 0.1095 0.2199 0.280 Uiso 1 1 calc R . . . .
C35 C 0.0183(7) 0.2232(13) 0.2130(10) 0.269(11) Uani 1 1 d D U . . .
H35A H 0.0435 0.2526 0.2456 0.403 Uiso 1 1 calc R . . . .
H35B H 0.0172 0.2345 0.1631 0.403 Uiso 1 1 calc R . . . .
H35C H -0.0093 0.2424 0.2212 0.403 Uiso 1 1 calc R . . . .
C36 C -0.0163(10) 0.0882(18) 0.1757(10) 0.339(15) Uani 1 1 d D U . . .
H36A H -0.0141 0.0279 0.1833 0.509 Uiso 1 1 calc R . . . .
H36B H -0.0435 0.1086 0.1842 0.509 Uiso 1 1 calc R . . . .
H36C H -0.0170 0.1008 0.1261 0.509 Uiso 1 1 calc R . . . .
C37 C -0.0148(5) 0.1511(12) 0.3740(12) 0.219(7) Uani 1 1 d D U . . .
H37 H -0.0053 0.1327 0.4253 0.263 Uiso 1 1 calc R . . . .
C38 C -0.0161(8) 0.2476(11) 0.3671(16) 0.321(15) Uani 1 1 d D U . . .
H38A H 0.0135 0.2702 0.3908 0.481 Uiso 1 1 calc R . . . .
H38B H -0.0252 0.2631 0.3161 0.481 Uiso 1 1 calc R . . . .
H38C H -0.0373 0.2701 0.3901 0.481 Uiso 1 1 calc R . . . .
C39 C -0.0624(5) 0.1257(14) 0.3352(15) 0.262(12) Uani 1 1 d D U . . .
H39A H -0.0650 0.0651 0.3366 0.392 Uiso 1 1 calc R . . . .
H39B H -0.0825 0.1513 0.3590 0.392 Uiso 1 1 calc R . . . .
H39C H -0.0703 0.1443 0.2851 0.392 Uiso 1 1 calc R . . . .
C40 C 0.0211(6) -0.0024(8) 0.3311(10) 0.188(6) Uani 1 1 d D U . . .
H40 H -0.0084 -0.0230 0.3008 0.225 Uiso 1 1 calc R . . . .
C41 C 0.0577(5) -0.0457(10) 0.3096(11) 0.213(8) Uani 1 1 d D U . . .
H41A H 0.0552 -0.0324 0.2595 0.320 Uiso 1 1 calc R . . . .
H41B H 0.0866 -0.0269 0.3407 0.320 Uiso 1 1 calc R . . . .
H41C H 0.0550 -0.1059 0.3148 0.320 Uiso 1 1 calc R . . . .
C42 C 0.0285(8) -0.0279(12) 0.4110(11) 0.242(9) Uani 1 1 d D U . . .
H42A H 0.0058 -0.0019 0.4288 0.363 Uiso 1 1 calc R . . . .
H42B H 0.0265 -0.0885 0.4142 0.363 Uiso 1 1 calc R . . . .
H42C H 0.0580 -0.0095 0.4401 0.363 Uiso 1 1 calc R . . . .
C43 C 0.1975(3) 0.5450(4) 0.5739(4) 0.0628(16) Uani 1 1 d . U . . .
C44 C 0.2011(3) 0.5676(5) 0.6432(4) 0.073(2) Uani 1 1 d . U . . .
H44 H 0.2153 0.5307 0.6812 0.087 Uiso 1 1 calc R . . . .
C45 C 0.1847(3) 0.6430(5) 0.6600(4) 0.089(3) Uani 1 1 d D U . . .
C46 C 0.1615(4) 0.6927(5) 0.6015(6) 0.098(3) Uani 1 1 d . U . . .
H46 H 0.1486 0.7430 0.6113 0.117 Uiso 1 1 calc R . . . .
C47 C 0.1564(3) 0.6723(5) 0.5303(4) 0.088(2) Uani 1 1 d D U . . .
C48 C 0.1750(3) 0.5978(5) 0.5183(4) 0.074(2) Uani 1 1 d . U . . .
H48 H 0.1722 0.5820 0.4702 0.089 Uiso 1 1 calc R . . . .
C49 C 0.1901(4) 0.6657(6) 0.7373(5) 0.125(4) Uani 1 1 d D U . . .
C50 C 0.2368(5) 0.6515(9) 0.7837(6) 0.150(5) Uani 1 1 d D U . . .
H50A H 0.2572 0.6853 0.7660 0.225 Uiso 1 1 calc R . . . .
H50B H 0.2393 0.6674 0.8334 0.225 Uiso 1 1 calc R . . . .
H50C H 0.2444 0.5927 0.7822 0.225 Uiso 1 1 calc R . . . .
C51 C 0.1786(6) 0.7556(7) 0.7445(7) 0.173(6) Uani 1 1 d D U . . .
H51A H 0.1974 0.7911 0.7247 0.260 Uiso 1 1 calc R . . . .
H51B H 0.1474 0.7652 0.7180 0.260 Uiso 1 1 calc R . . . .
H51C H 0.1837 0.7690 0.7954 0.260 Uiso 1 1 calc R . . . .
C52 C 0.1613(6) 0.6126(9) 0.7676(7) 0.168(5) Uani 1 1 d D U . . .
H52A H 0.1302 0.6196 0.7390 0.252 Uiso 1 1 calc R . . . .
H52B H 0.1699 0.5542 0.7663 0.252 Uiso 1 1 calc R . . . .
H52C H 0.1649 0.6290 0.8175 0.252 Uiso 1 1 calc R . . . .
C53 C 0.1303(3) 0.7287(6) 0.4710(5) 0.113(3) Uani 1 1 d D U . . .
C54 C 0.1522(5) 0.8121(7) 0.4750(9) 0.153(5) Uani 1 1 d D U . . .
H54A H 0.1826 0.8049 0.4728 0.230 Uiso 1 1 calc R . . . .
H54B H 0.1354 0.8466 0.4346 0.230 Uiso 1 1 calc R . . . .
H54C H 0.1529 0.8393 0.5204 0.230 Uiso 1 1 calc R . . . .
C55 C 0.0837(4) 0.7413(10) 0.4745(8) 0.145(5) Uani 1 1 d D U . . .
H55A H 0.0690 0.6873 0.4719 0.218 Uiso 1 1 calc R . . . .
H55B H 0.0847 0.7688 0.5199 0.218 Uiso 1 1 calc R . . . .
H55C H 0.0672 0.7761 0.4341 0.218 Uiso 1 1 calc R . . . .
C56 C 0.1266(5) 0.6938(8) 0.3976(5) 0.151(5) Uani 1 1 d D U . . .
H56A H 0.1125 0.6391 0.3926 0.227 Uiso 1 1 calc R . . . .
H56B H 0.1087 0.7313 0.3606 0.227 Uiso 1 1 calc R . . . .
H56C H 0.1564 0.6884 0.3919 0.227 Uiso 1 1 calc R . . . .
C57 C 0.3266(3) 0.0016(4) 0.5116(5) 0.0685(18) Uani 1 1 d . U . . .
C58 C 0.3537(3) -0.0108(6) 0.4673(6) 0.102(3) Uani 1 1 d . U . . .
H58 H 0.3603 0.0342 0.4406 0.123 Uiso 1 1 calc R . . . .
C59 C 0.3712(4) -0.0904(8) 0.4624(8) 0.145(4) Uani 1 1 d D U . . .
C60 C 0.3593(4) -0.1548(6) 0.5040(9) 0.133(4) Uani 1 1 d . U . . .
H60 H 0.3714 -0.2086 0.5025 0.159 Uiso 1 1 calc R . . . .
C61 C 0.3308(3) -0.1438(4) 0.5468(6) 0.107(3) Uani 1 1 d D U . . .
C62 C 0.3152(3) -0.0633(4) 0.5495(5) 0.0697(18) Uani 1 1 d . U . . .
H62 H 0.2961 -0.0525 0.5781 0.084 Uiso 1 1 calc R . . . .
C63 C 0.4003(5) -0.1098(10) 0.4146(9) 0.210(6) Uani 1 1 d D U . . .
C64 C 0.3737(7) -0.1430(16) 0.3433(10) 0.282(10) Uani 1 1 d D U . . .
H64A H 0.3608 -0.1966 0.3500 0.423 Uiso 1 1 calc R . . . .
H64B H 0.3499 -0.1038 0.3206 0.423 Uiso 1 1 calc R . . . .
H64C H 0.3930 -0.1504 0.3124 0.423 Uiso 1 1 calc R . . . .
C65 C 0.4373(6) -0.1681(15) 0.4508(13) 0.290(10) Uani 1 1 d D U . . .
H65A H 0.4251 -0.2172 0.4678 0.435 Uiso 1 1 calc R . . . .
H65B H 0.4529 -0.1852 0.4165 0.435 Uiso 1 1 calc R . . . .
H65C H 0.4581 -0.1400 0.4918 0.435 Uiso 1 1 calc R . . . .
C66 C 0.4144(7) -0.0321(11) 0.3860(12) 0.278(9) Uani 1 1 d D U . . .
H66A H 0.4332 0.0007 0.4259 0.417 Uiso 1 1 calc R . . . .
H66B H 0.4312 -0.0463 0.3526 0.417 Uiso 1 1 calc R . . . .
H66C H 0.3881 0.0003 0.3607 0.417 Uiso 1 1 calc R . . . .
C67 C 0.3159(4) -0.2165(6) 0.5818(7) 0.141(4) Uani 1 1 d D U . . .
C68 C 0.2801(5) -0.2647(9) 0.5255(8) 0.163(6) Uani 1 1 d D U . . .
H68A H 0.2564 -0.2266 0.5001 0.244 Uiso 1 1 calc R . . . .
H68B H 0.2932 -0.2906 0.4910 0.244 Uiso 1 1 calc R . . . .
H68C H 0.2678 -0.3079 0.5494 0.244 Uiso 1 1 calc R . . . .
C69 C 0.3534(5) -0.2707(8) 0.6231(11) 0.194(7) Uani 1 1 d D U . . .
H69A H 0.3417 -0.3169 0.6447 0.290 Uiso 1 1 calc R . . . .
H69B H 0.3692 -0.2925 0.5906 0.290 Uiso 1 1 calc R . . . .
H69C H 0.3740 -0.2380 0.6612 0.290 Uiso 1 1 calc R . . . .
C70 C 0.2925(7) -0.1905(9) 0.6357(10) 0.210(7) Uani 1 1 d D U . . .
H70A H 0.2673 -0.1545 0.6121 0.316 Uiso 1 1 calc R . . . .
H70B H 0.2817 -0.2400 0.6547 0.316 Uiso 1 1 calc R . . . .
H70C H 0.3132 -0.1602 0.6753 0.316 Uiso 1 1 calc R . . . .
P101 P 0.29705(13) 0.44625(19) 0.35549(16) 0.0786(9) Uani 0.706(3) 1 d D U P A
1
P102 P 0.21846(11) 0.3299(2) 0.28457(14) 0.0702(8) Uani 0.706(3) 1 d D U P A 1
P103 P 0.31702(10) 0.26347(19) 0.33244(15) 0.0648(7) Uani 0.706(3) 1 d D U P A
1
O101 O 0.2900(3) 0.4202(4) 0.4255(4) 0.075(2) Uani 0.706(3) 1 d D U P A 1
O102 O 0.2168(2) 0.3077(5) 0.3578(3) 0.0708(19) Uani 0.706(3) 1 d D U P A 1
O103 O 0.3056(3) 0.2450(4) 0.4003(4) 0.0669(17) Uani 0.706(3) 1 d D U P A 1
O104 O 0.3462(3) 0.4796(7) 0.3734(5) 0.103(3) Uani 0.706(3) 1 d D U P A 1
O105 O 0.2704(4) 0.5293(6) 0.3225(6) 0.125(3) Uani 0.706(3) 1 d D U P A 1
O106 O 0.1855(3) 0.4037(6) 0.2582(5) 0.094(2) Uani 0.706(3) 1 d D U P A 1
O107 O 0.1952(3) 0.2583(6) 0.2303(6) 0.091(3) Uani 0.706(3) 1 d D U P A 1
O108 O 0.3172(3) 0.1773(5) 0.2906(5) 0.081(2) Uani 0.706(3) 1 d D U P A 1
O109 O 0.3687(3) 0.2852(7) 0.3563(5) 0.093(2) Uani 0.706(3) 1 d D U P A 1
C101 C 0.3802(7) 0.4583(14) 0.4389(8) 0.127(5) Uani 0.706(3) 1 d D U P A 1
H10A H 0.4086 0.4478 0.4284 0.153 Uiso 0.706(3) 1 calc R . P A 1
H10B H 0.3717 0.4071 0.4598 0.153 Uiso 0.706(3) 1 calc R . P A 1
C102 C 0.3858(9) 0.5268(19) 0.4904(10) 0.154(8) Uani 0.706(3) 1 d D U P A 1
H10C H 0.4089 0.5124 0.5349 0.231 Uiso 0.706(3) 1 calc R . P A 1
H10D H 0.3945 0.5772 0.4698 0.231 Uiso 0.706(3) 1 calc R . P A 1
H10E H 0.3577 0.5366 0.5010 0.231 Uiso 0.706(3) 1 calc R . P A 1
C103 C 0.2746(8) 0.6007(8) 0.3688(8) 0.134(5) Uani 0.706(3) 1 d D U P A 1
H10F H 0.2870 0.5837 0.4198 0.161 Uiso 0.706(3) 1 calc R . P A 1
H10G H 0.2451 0.6261 0.3625 0.161 Uiso 0.706(3) 1 calc R . P A 1
C104 C 0.3044(9) 0.6612(11) 0.3500(12) 0.169(8) Uani 0.706(3) 1 d D U P A 1
H10H H 0.3076 0.7101 0.3811 0.254 Uiso 0.706(3) 1 calc R . P A 1
H10I H 0.3336 0.6357 0.3568 0.254 Uiso 0.706(3) 1 calc R . P A 1
H10J H 0.2919 0.6780 0.2997 0.254 Uiso 0.706(3) 1 calc R . P A 1
C105 C 0.1690(7) 0.4518(13) 0.3080(10) 0.148(6) Uani 0.706(3) 1 d D U P A 1
H10K H 0.1692 0.5117 0.2965 0.177 Uiso 0.706(3) 1 calc R . P A 1
H10L H 0.1883 0.4432 0.3578 0.177 Uiso 0.706(3) 1 calc R . P A 1
C106 C 0.1240(6) 0.4249(17) 0.3018(13) 0.171(8) Uani 0.706(3) 1 d D U P A 1
H10M H 0.1125 0.4569 0.3351 0.257 Uiso 0.706(3) 1 calc R . P A 1
H10N H 0.1051 0.4339 0.2524 0.257 Uiso 0.706(3) 1 calc R . P A 1
H10O H 0.1242 0.3656 0.3135 0.257 Uiso 0.706(3) 1 calc R . P A 1
C107 C 0.1562(5) 0.2181(10) 0.2354(8) 0.095(4) Uani 0.706(3) 1 d D U P A 1
H10P H 0.1319 0.2590 0.2288 0.115 Uiso 0.706(3) 1 calc R . P A 1
H10Q H 0.1618 0.1923 0.2835 0.115 Uiso 0.706(3) 1 calc R . P A 1
C108 C 0.1432(6) 0.1533(12) 0.1787(10) 0.126(6) Uani 0.706(3) 1 d D U P A 1
H10R H 0.1163 0.1251 0.1817 0.189 Uiso 0.706(3) 1 calc R . P A 1
H10S H 0.1375 0.1793 0.1313 0.189 Uiso 0.706(3) 1 calc R . P A 1
H10T H 0.1673 0.1128 0.1858 0.189 Uiso 0.706(3) 1 calc R . P A 1
C109 C 0.2786(5) 0.1311(10) 0.2580(7) 0.103(4) Uani 0.706(3) 1 d D U P A 1
H10U H 0.2843 0.0933 0.2217 0.124 Uiso 0.706(3) 1 calc R . P A 1
H10V H 0.2545 0.1695 0.2329 0.124 Uiso 0.706(3) 1 calc R . P A 1
C110 C 0.2642(7) 0.0822(14) 0.3102(9) 0.147(8) Uani 0.706(3) 1 d D U P A 1
H11A H 0.2373 0.0512 0.2853 0.220 Uiso 0.706(3) 1 calc R . P A 1
H11B H 0.2877 0.0433 0.3346 0.220 Uiso 0.706(3) 1 calc R . P A 1
H11C H 0.2579 0.1195 0.3458 0.220 Uiso 0.706(3) 1 calc R . P A 1
C111 C 0.3990(5) 0.2253(10) 0.3958(9) 0.114(4) Uani 0.706(3) 1 d D U P A 1
H11D H 0.4088 0.1899 0.3619 0.136 Uiso 0.706(3) 1 calc R . P A 1
H11E H 0.3837 0.1893 0.4222 0.136 Uiso 0.706(3) 1 calc R . P A 1
C112 C 0.4374(4) 0.2622(15) 0.4465(9) 0.132(6) Uani 0.706(3) 1 d D U P A 1
H11F H 0.4573 0.2182 0.4723 0.198 Uiso 0.706(3) 1 calc R . P A 1
H11G H 0.4531 0.2970 0.4206 0.198 Uiso 0.706(3) 1 calc R . P A 1
H11H H 0.4280 0.2964 0.4809 0.198 Uiso 0.706(3) 1 calc R . P A 1
P201 P 0.2442(4) 0.4519(7) 0.3308(5) 0.123(3) Uani 0.294(3) 1 d D U P A 2
P202 P 0.2523(4) 0.2669(7) 0.2821(5) 0.121(3) Uani 0.294(3) 1 d D U P A 2
P203 P 0.3331(3) 0.3782(6) 0.3650(5) 0.097(2) Uani 0.294(3) 1 d D U P A 2
O201 O 0.2467(8) 0.4222(12) 0.4052(8) 0.094(4) Uani 0.294(3) 1 d D U P A 2
O202 O 0.2441(8) 0.2531(14) 0.3539(8) 0.101(4) Uani 0.294(3) 1 d D U P A 2
O203 O 0.3259(7) 0.3281(14) 0.4262(10) 0.099(4) Uani 0.294(3) 1 d D U P A 2
O204 O 0.2733(9) 0.5344(13) 0.3448(15) 0.142(6) Uani 0.294(3) 1 d D U P A 2
O205 O 0.1998(6) 0.4787(19) 0.2777(11) 0.135(6) Uani 0.294(3) 1 d D U P A 2
O206 O 0.2063(7) 0.2297(18) 0.2331(16) 0.135(6) Uani 0.294(3) 1 d D U P A 2
O207 O 0.2858(8) 0.1975(13) 0.2729(16) 0.131(6) Uani 0.294(3) 1 d D U P A 2
O208 O 0.3740(7) 0.3363(14) 0.3467(15) 0.113(5) Uani 0.294(3) 1 d D U P A 2
O209 O 0.3530(10) 0.4667(12) 0.3939(14) 0.109(6) Uani 0.294(3) 1 d D U P A 2
C201 C 0.2709(11) 0.594(2) 0.399(2) 0.154(9) Uani 0.294(3) 1 d D U P A 2
H20A H 0.2826 0.6488 0.3898 0.185 Uiso 0.294(3) 1 calc R . P A 2
H20B H 0.2883 0.5749 0.4475 0.185 Uiso 0.294(3) 1 calc R . P A 2
C202 C 0.2240(11) 0.601(2) 0.3941(18) 0.174(14) Uani 0.294(3) 1 d D U P A 2
H20C H 0.2203 0.6407 0.4299 0.262 Uiso 0.294(3) 1 calc R . P A 2
H20D H 0.2072 0.6197 0.3459 0.262 Uiso 0.294(3) 1 calc R . P A 2
H20E H 0.2129 0.5463 0.4033 0.262 Uiso 0.294(3) 1 calc R . P A 2
C203 C 0.1569(10) 0.456(2) 0.285(3) 0.156(9) Uani 0.294(3) 1 d D U P A 2
H20F H 0.1604 0.4176 0.3257 0.187 Uiso 0.294(3) 1 calc R . P A 2
H20G H 0.1382 0.4297 0.2405 0.187 Uiso 0.294(3) 1 calc R . P A 2
C204 C 0.1366(12) 0.534(3) 0.2982(19) 0.191(15) Uani 0.294(3) 1 d D U P A 2
H20H H 0.1073 0.5224 0.3036 0.286 Uiso 0.294(3) 1 calc R . P A 2
H20I H 0.1555 0.5598 0.3423 0.286 Uiso 0.294(3) 1 calc R . P A 2
H20J H 0.1335 0.5718 0.2575 0.286 Uiso 0.294(3) 1 calc R . P A 2
C205 C 0.2015(11) 0.1411(18) 0.239(3) 0.154(10) Uani 0.294(3) 1 d D U P A 2
H20K H 0.2200 0.1213 0.2868 0.184 Uiso 0.294(3) 1 calc R . P A 2
H20L H 0.2108 0.1118 0.2014 0.184 Uiso 0.294(3) 1 calc R . P A 2
C206 C 0.1544(11) 0.126(2) 0.230(4) 0.175(16) Uani 0.294(3) 1 d D U P A 2
H20M H 0.1496 0.0660 0.2342 0.263 Uiso 0.294(3) 1 calc R . P A 2
H20N H 0.1457 0.1552 0.2681 0.263 Uiso 0.294(3) 1 calc R . P A 2
H20O H 0.1366 0.1457 0.1831 0.263 Uiso 0.294(3) 1 calc R . P A 2
C207 C 0.2782(13) 0.1155(17) 0.298(3) 0.136(9) Uani 0.294(3) 1 d D U P A 2
H20P H 0.2726 0.1193 0.3450 0.164 Uiso 0.294(3) 1 calc R . P A 2
H20Q H 0.2521 0.0894 0.2630 0.164 Uiso 0.294(3) 1 calc R . P A 2
C208 C 0.3175(15) 0.067(2) 0.3038(17) 0.156(12) Uani 0.294(3) 1 d D U P A 2
H20R H 0.3135 0.0108 0.3205 0.233 Uiso 0.294(3) 1 calc R . P A 2
H20S H 0.3227 0.0634 0.2567 0.233 Uiso 0.294(3) 1 calc R . P A 2
H20T H 0.3431 0.0932 0.3383 0.233 Uiso 0.294(3) 1 calc R . P A 2
C209 C 0.3628(11) 0.2545(16) 0.3149(19) 0.107(7) Uani 0.294(3) 1 d D U P A 2
H20U H 0.3367 0.2318 0.3272 0.128 Uiso 0.294(3) 1 calc R . P A 2
H20V H 0.3554 0.2579 0.2619 0.128 Uiso 0.294(3) 1 calc R . P A 2
C210 C 0.4011(12) 0.2016(15) 0.344(3) 0.175(19) Uani 0.294(3) 1 d D U P A 2
H21A H 0.3946 0.1457 0.3234 0.262 Uiso 0.294(3) 1 calc R . P A 2
H21B H 0.4266 0.2246 0.3312 0.262 Uiso 0.294(3) 1 calc R . P A 2
H21C H 0.4080 0.1987 0.3962 0.262 Uiso 0.294(3) 1 calc R . P A 2
C211 C 0.3881(15) 0.465(3) 0.461(2) 0.119(9) Uani 0.294(3) 1 d D U P A 2
H21D H 0.4173 0.4715 0.4523 0.142 Uiso 0.294(3) 1 calc R . P A 2
H21E H 0.3879 0.4120 0.4863 0.142 Uiso 0.294(3) 1 calc R . P A 2
C212 C 0.380(3) 0.535(5) 0.504(3) 0.18(2) Uani 0.294(3) 1 d D U P A 2
H21F H 0.4037 0.5357 0.5506 0.273 Uiso 0.294(3) 1 calc R . P A 2
H21G H 0.3807 0.5870 0.4788 0.273 Uiso 0.294(3) 1 calc R . P A 2
H21H H 0.3514 0.5278 0.5127 0.273 Uiso 0.294(3) 1 calc R . P A 2
C121 C 0.2611(3) 0.4425(6) 0.1762(4) 0.103(3) Uani 0.785(7) 1 d . U P A 3
H121 H 0.2418 0.4889 0.1718 0.123 Uiso 0.785(7) 1 calc R . P A 3
C122 C 0.3079(4) 0.4432(5) 0.2078(5) 0.095(3) Uani 0.785(7) 1 d G U P A 3
H122 H 0.3254 0.4900 0.2282 0.114 Uiso 0.785(7) 1 calc R . P A 3
C123 C 0.3239(3) 0.3614(6) 0.2035(4) 0.095(3) Uani 0.785(7) 1 d G U P A 3
H123 H 0.3539 0.3440 0.2206 0.114 Uiso 0.785(7) 1 calc R . P A 3
C124 C 0.2869(4) 0.3103(4) 0.1693(4) 0.100(3) Uani 0.785(7) 1 d G U P A 3
H124 H 0.2880 0.2526 0.1594 0.120 Uiso 0.785(7) 1 calc R . P A 3
C125 C 0.2482(3) 0.3604(7) 0.1524(4) 0.103(3) Uani 0.785(7) 1 d G U P A 3
H125 H 0.2187 0.3421 0.1293 0.124 Uiso 0.785(7) 1 calc R . P A 3
C221 C 0.2827(13) 0.5035(12) 0.2089(16) 0.101(5) Uani 0.215(7) 1 d D U P A 4
H221 H 0.2782 0.5598 0.2197 0.122 Uiso 0.215(7) 1 calc R . P A 4
C222 C 0.3244(9) 0.463(2) 0.2232(19) 0.101(5) Uani 0.215(7) 1 d DG U P A 4
H222 H 0.3526 0.4869 0.2453 0.122 Uiso 0.215(7) 1 calc R . P A 4
C223 C 0.3164(11) 0.3795(18) 0.1987(14) 0.095(5) Uani 0.215(7) 1 d DG U P A 4
H223 H 0.3384 0.3382 0.2015 0.114 Uiso 0.215(7) 1 calc R . P A 4
C224 C 0.2698(13) 0.3688(16) 0.1692(12) 0.103(5) Uani 0.215(7) 1 d DG U P A 4
H224 H 0.2552 0.3190 0.1488 0.124 Uiso 0.215(7) 1 calc R . P A 4
C225 C 0.2490(9) 0.445(2) 0.1755(14) 0.104(5) Uani 0.215(7) 1 d DG U P A 4
H225 H 0.2180 0.4560 0.1600 0.125 Uiso 0.215(7) 1 calc R . P A 4


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Tb1 N1 2.385(5) . ?
Tb1 N2 2.408(6) . ?
Tb1 N3 2.429(6) . ?
Tb1 N4 2.368(6) . ?
Tb1 O101 2.287(6) . ?
Tb1 O102 2.287(7) . ?
Tb1 O103 2.261(6) . ?
Tb1 O201 2.289(16) . ?
Tb1 O202 2.295(16) . ?
Tb1 O203 2.291(17) . ?
Tb2 N1 2.817(9) . ?
Tb2 N2 1.960(9) . ?
Tb2 N3 2.072(7) . ?
Tb2 N4 2.873(11) . ?
Tb2 O101 2.725(11) . ?
Tb2 O102 1.864(9) . ?
Tb2 O103 2.577(10) . ?
Tb2 O201 2.374(17) . ?
Tb2 O202 2.057(15) . ?
Tb2 O203 2.87(2) . ?
Co1 P101 2.188(4) . ?
Co1 P102 2.148(4) . ?
Co1 P103 2.160(4) . ?
Co1 P201 2.446(11) . ?
Co1 P202 1.827(11) . ?
Co1 P203 2.192(10) . ?
Co1 C121 2.099(8) . ?
Co1 C122 2.079(8) . ?
Co1 C123 2.071(7) . ?
Co1 C124 2.087(6) . ?
Co1 C125 2.104(8) . ?
Co2 P101 1.661(10) . ?
Co2 P102 2.487(11) . ?
Co2 P103 2.604(10) . ?
Co2 P201 2.082(13) . ?
Co2 P202 2.473(17) . ?
Co2 P203 2.004(12) . ?
Co2 C221 2.02(2) . ?
Co2 C222 2.03(2) . ?
Co2 C223 2.034(19) . ?
Co2 C224 2.03(2) . ?
Co2 C225 2.03(2) . ?
Si1 C22 1.839(9) . ?
Si1 C23 1.917(11) . ?
Si1 C26 1.871(12) . ?
Si1 C29 1.847(12) . ?
Si2 C33 1.846(11) . ?
Si2 C34 1.897(15) . ?
Si2 C37 1.878(14) . ?
Si2 C40 1.851(13) . ?
N1 C1 1.384(9) . ?
N1 C4 1.380(8) . ?
N2 C6 1.410(9) . ?
N2 C9 1.348(11) . ?
N3 C11 1.312(9) . ?
N3 C14 1.407(9) . ?
N4 C16 1.379(8) . ?
N4 C19 1.399(9) . ?
C1 C2 1.440(9) . ?
C1 C20 1.423(10) . ?
C2 H2 0.9500 . ?
C2 C3 1.337(11) . ?
C3 H3 0.9500 . ?
C3 C4 1.429(10) . ?
C4 C5 1.415(10) . ?
C5 C6 1.346(11) . ?
C5 C43 1.511(9) . ?
C6 C7 1.453(11) . ?
C7 H7 0.9500 . ?
C7 C8 1.353(13) . ?
C8 H8 0.9500 . ?
C8 C9 1.437(12) . ?
C9 C10 1.419(11) . ?
C10 C11 1.435(11) . ?
C10 C32 1.425(12) . ?
C11 C12 1.449(10) . ?
C12 H12 0.9500 . ?
C12 C13 1.324(11) . ?
C13 H13 0.9500 . ?
C13 C14 1.432(10) . ?
C14 C15 1.393(10) . ?
C15 C16 1.428(9) . ?
C15 C57 1.481(8) . ?
C16 C17 1.412(10) . ?
C17 H17 0.9500 . ?
C17 C18 1.363(9) . ?
C18 H18 0.9500 . ?
C18 C19 1.432(10) . ?
C19 C20 1.417(9) . ?
C20 C21 1.419(11) . ?
C21 C22 1.204(11) . ?
C23 H23 1.0000 . ?
C23 C24 1.518(12) . ?
C23 C25 1.500(12) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26 1.0000 . ?
C26 C27 1.456(14) . ?
C26 C28 1.511(13) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29 1.0000 . ?
C29 C30 1.509(14) . ?
C29 C31 1.489(14) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 C33 1.201(13) . ?
C34 H34 1.0000 . ?
C34 C35 1.524(16) . ?
C34 C36 1.514(15) . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37 1.0000 . ?
C37 C38 1.557(17) . ?
C37 C39 1.523(15) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40 1.0000 . ?
C40 C41 1.508(14) . ?
C40 C42 1.558(15) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 C44 1.370(9) . ?
C43 C48 1.392(10) . ?
C44 H44 0.9500 . ?
C44 C45 1.395(10) . ?
C45 C46 1.406(12) . ?
C45 C49 1.508(9) . ?
C46 H46 0.9500 . ?
C46 C47 1.387(13) . ?
C47 C48 1.384(10) . ?
C47 C53 1.508(9) . ?
C48 H48 0.9500 . ?
C49 C50 1.499(11) . ?
C49 C51 1.508(10) . ?
C49 C52 1.491(12) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 C54 1.501(11) . ?
C53 C55 1.506(11) . ?
C53 C56 1.507(11) . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 C58 1.398(11) . ?
C57 C62 1.386(11) . ?
C58 H58 0.9500 . ?
C58 C59 1.409(13) . ?
C59 C60 1.43(2) . ?
C59 C63 1.522(11) . ?
C60 H60 0.9500 . ?
C60 C61 1.406(17) . ?
C61 C62 1.393(9) . ?
C61 C67 1.497(11) . ?
C62 H62 0.9500 . ?
C63 C64 1.491(13) . ?
C63 C65 1.500(13) . ?
C63 C66 1.489(13) . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C67 C68 1.531(12) . ?
C67 C69 1.497(11) . ?
C67 C70 1.512(12) . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
P101 O101 1.505(6) . ?
P101 O104 1.578(10) . ?
P101 O105 1.607(10) . ?
P102 O102 1.487(6) . ?
P102 O106 1.562(8) . ?
P102 O107 1.588(8) . ?
P103 O103 1.500(6) . ?
P103 O108 1.609(7) . ?
P103 O109 1.595(8) . ?
O104 C101 1.444(13) . ?
O105 C103 1.443(12) . ?
O106 C105 1.452(13) . ?
O107 C107 1.423(12) . ?
O108 C109 1.408(12) . ?
O109 C111 1.413(13) . ?
C101 H10A 0.9900 . ?
C101 H10B 0.9900 . ?
C101 C102 1.465(15) . ?
C102 H10C 0.9800 . ?
C102 H10D 0.9800 . ?
C102 H10E 0.9800 . ?
C103 H10F 0.9900 . ?
C103 H10G 0.9900 . ?
C103 C104 1.473(15) . ?
C104 H10H 0.9800 . ?
C104 H10I 0.9800 . ?
C104 H10J 0.9800 . ?
C105 H10K 0.9900 . ?
C105 H10L 0.9900 . ?
C105 C106 1.454(16) . ?
C106 H10M 0.9800 . ?
C106 H10N 0.9800 . ?
C106 H10O 0.9800 . ?
C107 H10P 0.9900 . ?
C107 H10Q 0.9900 . ?
C107 C108 1.484(14) . ?
C108 H10R 0.9800 . ?
C108 H10S 0.9800 . ?
C108 H10T 0.9800 . ?
C109 H10U 0.9900 . ?
C109 H10V 0.9900 . ?
C109 C110 1.460(15) . ?
C110 H11A 0.9800 . ?
C110 H11B 0.9800 . ?
C110 H11C 0.9800 . ?
C111 H11D 0.9900 . ?
C111 H11E 0.9900 . ?
C111 C112 1.443(15) . ?
C112 H11F 0.9800 . ?
C112 H11G 0.9800 . ?
C112 H11H 0.9800 . ?
P201 O201 1.506(12) . ?
P201 O204 1.590(14) . ?
P201 O205 1.536(13) . ?
P202 O202 1.512(13) . ?
P202 O206 1.598(13) . ?
P202 O207 1.584(13) . ?
P203 O203 1.511(13) . ?
P203 O208 1.588(13) . ?
P203 O209 1.589(14) . ?
O204 C201 1.448(14) . ?
O205 C203 1.447(15) . ?
O206 C205 1.443(15) . ?
O207 C207 1.450(15) . ?
O208 C209 1.454(15) . ?
O209 C211 1.442(15) . ?
C201 H20A 0.9900 . ?
C201 H20B 0.9900 . ?
C201 C202 1.458(18) . ?
C202 H20C 0.9800 . ?
C202 H20D 0.9800 . ?
C202 H20E 0.9800 . ?
C203 H20F 0.9900 . ?
C203 H20G 0.9900 . ?
C203 C204 1.458(18) . ?
C204 H20H 0.9800 . ?
C204 H20I 0.9800 . ?
C204 H20J 0.9800 . ?
C205 H20K 0.9900 . ?
C205 H20L 0.9900 . ?
C205 C206 1.463(18) . ?
C206 H20M 0.9800 . ?
C206 H20N 0.9800 . ?
C206 H20O 0.9800 . ?
C207 H20P 0.9900 . ?
C207 H20Q 0.9900 . ?
C207 C208 1.442(18) . ?
C208 H20R 0.9800 . ?
C208 H20S 0.9800 . ?
C208 H20T 0.9800 . ?
C209 H20U 0.9900 . ?
C209 H20V 0.9900 . ?
C209 C210 1.449(18) . ?
C210 H21A 0.9800 . ?
C210 H21B 0.9800 . ?
C210 H21C 0.9800 . ?
C211 H21D 0.9900 . ?
C211 H21E 0.9900 . ?
C211 C212 1.464(18) . ?
C212 H21F 0.9800 . ?
C212 H21G 0.9800 . ?
C212 H21H 0.9800 . ?
C121 H121 0.9500 . ?
C121 C122 1.4200 . ?
C121 C125 1.4200 . ?
C122 H122 0.9500 . ?
C122 C123 1.4200 . ?
C123 H123 0.9500 . ?
C123 C124 1.4200 . ?
C124 H124 0.9500 . ?
C124 C125 1.4200 . ?
C125 H125 0.9500 . ?
C221 H221 0.9500 . ?
C221 C222 1.4200 . ?
C221 C225 1.4200 . ?
C222 H222 0.9500 . ?
C222 C223 1.4200 . ?
C223 H223 0.9500 . ?
C223 C224 1.4200 . ?
C224 H224 0.9500 . ?
C224 C225 1.4200 . ?
C225 H225 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Tb1 N2 73.9(2) . . ?
N1 Tb1 N3 117.27(16) . . ?
N2 Tb1 N3 74.05(19) . . ?
N4 Tb1 N1 76.03(18) . . ?
N4 Tb1 N2 118.96(19) . . ?
N4 Tb1 N3 74.70(19) . . ?
O101 Tb1 N1 77.90(19) . . ?
O101 Tb1 N2 110.9(3) . . ?
O101 Tb1 N3 164.7(2) . . ?
O101 Tb1 N4 112.9(3) . . ?
O101 Tb1 O102 79.4(3) . . ?
O102 Tb1 N1 135.8(2) . . ?
O102 Tb1 N2 79.6(2) . . ?
O102 Tb1 N3 87.5(2) . . ?
O102 Tb1 N4 148.1(2) . . ?
O103 Tb1 N1 133.6(3) . . ?
O103 Tb1 N2 152.5(3) . . ?
O103 Tb1 N3 89.4(2) . . ?
O103 Tb1 N4 75.7(2) . . ?
O103 Tb1 O101 80.2(3) . . ?
O103 Tb1 O102 77.9(3) . . ?
O201 Tb1 N1 85.7(5) . . ?
O201 Tb1 N2 82.7(6) . . ?
O201 Tb1 N3 140.0(7) . . ?
O201 Tb1 N4 145.2(7) . . ?
O201 Tb1 O202 78.2(7) . . ?
O201 Tb1 O203 76.8(7) . . ?
O202 Tb1 N1 163.8(6) . . ?
O202 Tb1 N2 105.0(6) . . ?
O202 Tb1 N3 77.0(5) . . ?
O202 Tb1 N4 117.0(7) . . ?
O203 Tb1 N1 99.3(6) . . ?
O203 Tb1 N2 158.9(6) . . ?
O203 Tb1 N3 125.7(6) . . ?
O203 Tb1 N4 77.3(5) . . ?
O203 Tb1 O202 75.8(7) . . ?
N1 Tb2 N4 61.9(3) . . ?
N1 Tb2 O203 77.5(6) . . ?
N2 Tb2 N1 71.7(3) . . ?
N2 Tb2 N3 92.5(4) . . ?
N2 Tb2 N4 115.4(3) . . ?
N2 Tb2 O101 110.2(3) . . ?
N2 Tb2 O103 176.2(6) . . ?
N2 Tb2 O201 91.0(5) . . ?
N2 Tb2 O202 136.6(9) . . ?
N2 Tb2 O203 145.0(6) . . ?
N3 Tb2 N1 113.6(3) . . ?
N3 Tb2 N4 70.0(3) . . ?
N3 Tb2 O101 153.7(5) . . ?
N3 Tb2 O103 89.7(3) . . ?
N3 Tb2 O201 171.4(6) . . ?
N3 Tb2 O203 115.3(6) . . ?
N4 Tb2 O203 60.8(4) . . ?
O101 Tb2 N1 64.0(3) . . ?
O101 Tb2 N4 87.7(4) . . ?
O102 Tb2 N1 134.4(4) . . ?
O102 Tb2 N2 103.7(6) . . ?
O102 Tb2 N3 112.0(5) . . ?
O102 Tb2 N4 140.9(4) . . ?
O102 Tb2 O101 76.5(3) . . ?
O102 Tb2 O103 78.3(3) . . ?
O103 Tb2 N1 104.6(5) . . ?
O103 Tb2 N4 62.5(3) . . ?
O103 Tb2 O101 67.0(3) . . ?
O201 Tb2 N1 75.0(5) . . ?
O201 Tb2 N4 115.4(8) . . ?
O201 Tb2 O203 64.8(7) . . ?
O202 Tb2 N1 143.5(8) . . ?
O202 Tb2 N3 91.0(6) . . ?
O202 Tb2 N4 106.3(8) . . ?
O202 Tb2 O201 81.1(7) . . ?
O202 Tb2 O203 67.3(7) . . ?
P102 Co1 P101 90.73(13) . . ?
P102 Co1 P103 94.18(13) . . ?
P103 Co1 P101 89.79(13) . . ?
P202 Co1 P201 94.2(4) . . ?
P202 Co1 P203 102.4(4) . . ?
P202 Co1 C121 129.8(5) . . ?
P202 Co1 C122 158.5(4) . . ?
P202 Co1 C123 123.5(5) . . ?
P202 Co1 C124 91.8(4) . . ?
P202 Co1 C125 95.2(4) . . ?
P203 Co1 P201 78.3(4) . . ?
C121 Co1 P101 102.1(3) . . ?
C121 Co1 P102 104.2(3) . . ?
C121 Co1 P103 157.9(2) . . ?
C121 Co1 P201 89.6(3) . . ?
C121 Co1 P203 127.2(4) . . ?
C121 Co1 C125 39.49(13) . . ?
C122 Co1 P101 89.1(2) . . ?
C122 Co1 P102 142.5(3) . . ?
C122 Co1 P103 123.3(3) . . ?
C122 Co1 P201 103.3(4) . . ?
C122 Co1 P203 93.3(3) . . ?
C122 Co1 C121 39.74(14) . . ?
C122 Co1 C124 66.95(17) . . ?
C122 Co1 C125 66.63(18) . . ?
C123 Co1 P101 114.4(3) . . ?
C123 Co1 P102 154.3(3) . . ?
C123 Co1 P103 91.3(3) . . ?
C123 Co1 P201 142.2(4) . . ?
C123 Co1 P203 92.5(3) . . ?
C123 Co1 C121 66.86(18) . . ?
C123 Co1 C122 40.02(14) . . ?
C123 Co1 C124 39.93(11) . . ?
C123 Co1 C125 66.76(16) . . ?
C124 Co1 P101 153.9(3) . . ?
C124 Co1 P102 114.5(3) . . ?
C124 Co1 P103 94.7(3) . . ?
C124 Co1 P201 152.9(4) . . ?
C124 Co1 P203 126.0(4) . . ?
C124 Co1 C121 66.57(17) . . ?
C124 Co1 C125 39.60(12) . . ?
C125 Co1 P101 140.2(3) . . ?
C125 Co1 P102 90.8(3) . . ?
C125 Co1 P103 129.7(3) . . ?
C125 Co1 P201 113.5(4) . . ?
C125 Co1 P203 158.2(3) . . ?
P101 Co2 P102 94.0(3) . . ?
P101 Co2 P103 89.2(3) . . ?
P101 Co2 C221 103.7(9) . . ?
P101 Co2 C222 106.5(11) . . ?
P101 Co2 C223 138.6(12) . . ?
P101 Co2 C224 172.6(9) . . ?
P101 Co2 C225 132.6(10) . . ?
P102 Co2 P103 76.6(3) . . ?
P201 Co2 P202 87.4(5) . . ?
P203 Co2 P201 91.8(5) . . ?
P203 Co2 P202 88.5(5) . . ?
P203 Co2 C221 126.9(13) . . ?
P203 Co2 C222 97.0(11) . . ?
P203 Co2 C223 101.4(9) . . ?
P203 Co2 C224 136.0(10) . . ?
P203 Co2 C225 166.0(12) . . ?
C221 Co2 P102 123.8(12) . . ?
C221 Co2 P103 154.1(9) . . ?
C221 Co2 P201 97.5(8) . . ?
C221 Co2 P202 143.8(11) . . ?
C221 Co2 C222 41.1(4) . . ?
C221 Co2 C223 69.0(7) . . ?
C221 Co2 C224 69.0(7) . . ?
C221 Co2 C225 41.1(4) . . ?
C222 Co2 P102 156.7(11) . . ?
C222 Co2 P103 113.9(10) . . ?
C222 Co2 P201 131.0(11) . . ?
C222 Co2 P202 140.8(11) . . ?
C222 Co2 C223 41.0(4) . . ?
C222 Co2 C224 68.9(7) . . ?
C222 Co2 C225 69.1(7) . . ?
C223 Co2 P102 124.5(12) . . ?
C223 Co2 P103 86.3(6) . . ?
C223 Co2 P201 165.1(7) . . ?
C223 Co2 P202 99.8(10) . . ?
C223 Co2 C224 40.9(4) . . ?
C224 Co2 P102 89.5(11) . . ?
C224 Co2 P103 97.9(8) . . ?
C224 Co2 P201 129.5(12) . . ?
C224 Co2 P202 80.3(9) . . ?
C225 Co2 P102 89.0(11) . . ?
C225 Co2 P103 137.0(10) . . ?
C225 Co2 P201 96.9(9) . . ?
C225 Co2 P202 102.8(12) . . ?
C225 Co2 C223 68.9(7) . . ?
C225 Co2 C224 40.9(4) . . ?
C22 Si1 C23 105.2(5) . . ?
C22 Si1 C26 110.4(6) . . ?
C22 Si1 C29 107.0(6) . . ?
C26 Si1 C23 113.6(6) . . ?
C29 Si1 C23 111.9(7) . . ?
C29 Si1 C26 108.4(8) . . ?
C33 Si2 C34 102.7(7) . . ?
C33 Si2 C37 105.7(7) . . ?
C33 Si2 C40 107.9(7) . . ?
C37 Si2 C34 130.9(11) . . ?
C40 Si2 C34 104.0(9) . . ?
C40 Si2 C37 104.1(8) . . ?
C1 N1 Tb1 121.6(4) . . ?
C1 N1 Tb2 134.6(4) . . ?
C4 N1 Tb1 124.7(5) . . ?
C4 N1 Tb2 115.0(5) . . ?
C4 N1 C1 105.5(5) . . ?
C6 N2 Tb1 123.3(5) . . ?
C6 N2 Tb2 134.1(5) . . ?
C9 N2 Tb1 123.4(5) . . ?
C9 N2 Tb2 108.1(5) . . ?
C9 N2 C6 106.5(6) . . ?
C11 N3 Tb1 122.2(5) . . ?
C11 N3 Tb2 105.8(6) . . ?
C11 N3 C14 106.7(6) . . ?
C14 N3 Tb1 123.2(4) . . ?
C14 N3 Tb2 136.1(5) . . ?
C16 N4 Tb1 126.1(5) . . ?
C16 N4 Tb2 118.4(4) . . ?
C16 N4 C19 105.1(6) . . ?
C19 N4 Tb1 122.3(4) . . ?
C19 N4 Tb2 133.3(4) . . ?
N1 C1 C2 110.5(6) . . ?
N1 C1 C20 125.5(6) . . ?
C20 C1 C2 124.0(7) . . ?
C1 C2 H2 127.2 . . ?
C3 C2 C1 105.6(7) . . ?
C3 C2 H2 127.2 . . ?
C2 C3 H3 125.3 . . ?
C2 C3 C4 109.5(6) . . ?
C4 C3 H3 125.3 . . ?
N1 C4 C3 108.9(6) . . ?
N1 C4 C5 124.0(6) . . ?
C5 C4 C3 127.2(6) . . ?
C4 C5 C43 115.3(6) . . ?
C6 C5 C4 127.2(6) . . ?
C6 C5 C43 117.5(7) . . ?
N2 C6 C7 107.8(7) . . ?
C5 C6 N2 125.7(7) . . ?
C5 C6 C7 126.5(7) . . ?
C6 C7 H7 126.1 . . ?
C8 C7 C6 107.8(7) . . ?
C8 C7 H7 126.1 . . ?
C7 C8 H8 126.7 . . ?
C7 C8 C9 106.6(8) . . ?
C9 C8 H8 126.7 . . ?
N2 C9 C8 111.2(7) . . ?
N2 C9 C10 124.6(7) . . ?
C10 C9 C8 124.2(8) . . ?
C9 C10 C11 125.5(8) . . ?
C9 C10 C32 117.0(8) . . ?
C32 C10 C11 117.5(7) . . ?
N3 C11 C10 125.8(7) . . ?
N3 C11 C12 110.7(7) . . ?
C10 C11 C12 123.4(7) . . ?
C11 C12 H12 126.6 . . ?
C13 C12 C11 106.7(7) . . ?
C13 C12 H12 126.6 . . ?
C12 C13 H13 126.0 . . ?
C12 C13 C14 107.9(7) . . ?
C14 C13 H13 126.0 . . ?
N3 C14 C13 107.9(6) . . ?
C15 C14 N3 124.5(6) . . ?
C15 C14 C13 127.6(7) . . ?
C14 C15 C16 128.0(6) . . ?
C14 C15 C57 116.0(6) . . ?
C16 C15 C57 116.0(6) . . ?
N4 C16 C15 123.0(6) . . ?
N4 C16 C17 110.3(6) . . ?
C17 C16 C15 126.5(6) . . ?
C16 C17 H17 125.8 . . ?
C18 C17 C16 108.4(6) . . ?
C18 C17 H17 125.8 . . ?
C17 C18 H18 127.0 . . ?
C17 C18 C19 106.1(7) . . ?
C19 C18 H18 127.0 . . ?
N4 C19 C18 110.1(6) . . ?
N4 C19 C20 125.2(6) . . ?
C20 C19 C18 124.7(7) . . ?
C19 C20 C1 125.6(7) . . ?
C19 C20 C21 116.9(6) . . ?
C21 C20 C1 117.5(6) . . ?
C22 C21 C20 178.0(9) . . ?
C21 C22 Si1 174.7(9) . . ?
Si1 C23 H23 108.5 . . ?
C24 C23 Si1 111.9(8) . . ?
C24 C23 H23 108.5 . . ?
C25 C23 Si1 110.6(8) . . ?
C25 C23 H23 108.5 . . ?
C25 C23 C24 108.6(9) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si1 C26 H26 105.2 . . ?
C27 C26 Si1 118.2(10) . . ?
C27 C26 H26 105.2 . . ?
C27 C26 C28 108.2(13) . . ?
C28 C26 Si1 113.7(9) . . ?
C28 C26 H26 105.2 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Si1 C29 H29 106.9 . . ?
C30 C29 Si1 112.9(10) . . ?
C30 C29 H29 106.9 . . ?
C31 C29 Si1 114.6(11) . . ?
C31 C29 H29 106.9 . . ?
C31 C29 C30 108.2(13) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C33 C32 C10 178.9(11) . . ?
C32 C33 Si2 176.1(10) . . ?
Si2 C34 H34 110.7 . . ?
C35 C34 Si2 107.4(12) . . ?
C35 C34 H34 110.7 . . ?
C36 C34 Si2 110.1(12) . . ?
C36 C34 H34 110.7 . . ?
C36 C34 C35 107.1(15) . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C34 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
Si2 C37 H37 112.0 . . ?
C38 C37 Si2 107.0(11) . . ?
C38 C37 H37 112.0 . . ?
C39 C37 Si2 110.2(12) . . ?
C39 C37 H37 112.0 . . ?
C39 C37 C38 103.2(14) . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
Si2 C40 H40 109.7 . . ?
C41 C40 Si2 112.7(10) . . ?
C41 C40 H40 109.7 . . ?
C41 C40 C42 104.7(13) . . ?
C42 C40 Si2 110.1(10) . . ?
C42 C40 H40 109.7 . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C40 C42 H42A 109.5 . . ?
C40 C42 H42B 109.5 . . ?
C40 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C44 C43 C5 120.9(6) . . ?
C44 C43 C48 118.5(6) . . ?
C48 C43 C5 120.6(6) . . ?
C43 C44 H44 118.9 . . ?
C43 C44 C45 122.3(7) . . ?
C45 C44 H44 118.9 . . ?
C44 C45 C46 116.4(7) . . ?
C44 C45 C49 120.4(7) . . ?
C46 C45 C49 123.2(7) . . ?
C45 C46 H46 118.2 . . ?
C47 C46 C45 123.5(7) . . ?
C47 C46 H46 118.2 . . ?
C46 C47 C53 119.8(7) . . ?
C48 C47 C46 116.4(7) . . ?
C48 C47 C53 123.7(8) . . ?
C43 C48 H48 118.6 . . ?
C47 C48 C43 122.7(7) . . ?
C47 C48 H48 118.6 . . ?
C45 C49 C51 111.5(8) . . ?
C50 C49 C45 111.3(8) . . ?
C50 C49 C51 108.0(10) . . ?
C52 C49 C45 110.8(8) . . ?
C52 C49 C50 106.2(10) . . ?
C52 C49 C51 108.8(10) . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C49 C51 H51A 109.5 . . ?
C49 C51 H51B 109.5 . . ?
C49 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C49 C52 H52A 109.5 . . ?
C49 C52 H52B 109.5 . . ?
C49 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C54 C53 C47 111.1(8) . . ?
C54 C53 C55 108.5(10) . . ?
C54 C53 C56 106.7(10) . . ?
C55 C53 C47 111.3(7) . . ?
C55 C53 C56 107.0(11) . . ?
C56 C53 C47 111.9(7) . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C53 C55 H55A 109.5 . . ?
C53 C55 H55B 109.5 . . ?
C53 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C53 C56 H56A 109.5 . . ?
C53 C56 H56B 109.5 . . ?
C53 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C58 C57 C15 118.2(8) . . ?
C62 C57 C15 120.1(7) . . ?
C62 C57 C58 121.6(7) . . ?
C57 C58 H58 120.1 . . ?
C57 C58 C59 119.8(10) . . ?
C59 C58 H58 120.1 . . ?
C58 C59 C60 116.3(9) . . ?
C58 C59 C63 123.3(11) . . ?
C60 C59 C63 120.3(9) . . ?
C59 C60 H60 117.8 . . ?
C61 C60 C59 124.5(8) . . ?
C61 C60 H60 117.8 . . ?
C60 C61 C67 120.8(8) . . ?
C62 C61 C60 115.7(9) . . ?
C62 C61 C67 123.3(9) . . ?
C57 C62 C61 122.1(8) . . ?
C57 C62 H62 119.0 . . ?
C61 C62 H62 119.0 . . ?
C64 C63 C59 111.6(10) . . ?
C64 C63 C65 111.0(13) . . ?
C65 C63 C59 111.6(10) . . ?
C66 C63 C59 110.9(9) . . ?
C66 C63 C64 95.8(12) . . ?
C66 C63 C65 115.1(14) . . ?
C63 C64 H64A 109.5 . . ?
C63 C64 H64B 109.5 . . ?
C63 C64 H64C 109.5 . . ?
H64A C64 H64B 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C63 C65 H65A 109.5 . . ?
C63 C65 H65B 109.5 . . ?
C63 C65 H65C 109.5 . . ?
H65A C65 H65B 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C63 C66 H66A 109.5 . . ?
C63 C66 H66B 109.5 . . ?
C63 C66 H66C 109.5 . . ?
H66A C66 H66B 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C61 C67 C68 109.6(9) . . ?
C61 C67 C70 112.6(8) . . ?
C69 C67 C61 113.3(9) . . ?
C69 C67 C68 112.7(11) . . ?
C69 C67 C70 105.0(13) . . ?
C70 C67 C68 103.2(12) . . ?
C67 C68 H68A 109.5 . . ?
C67 C68 H68B 109.5 . . ?
C67 C68 H68C 109.5 . . ?
H68A C68 H68B 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C67 C69 H69A 109.5 . . ?
C67 C69 H69B 109.5 . . ?
C67 C69 H69C 109.5 . . ?
H69A C69 H69B 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C67 C70 H70A 109.5 . . ?
C67 C70 H70B 109.5 . . ?
C67 C70 H70C 109.5 . . ?
H70A C70 H70B 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
O101 P101 Co1 119.6(3) . . ?
O101 P101 Co2 134.6(5) . . ?
O101 P101 O104 107.2(5) . . ?
O101 P101 O105 113.1(6) . . ?
O104 P101 Co1 112.6(4) . . ?
O104 P101 Co2 105.9(5) . . ?
O104 P101 O105 99.7(6) . . ?
O105 P101 Co1 103.0(4) . . ?
O105 P101 Co2 90.7(5) . . ?
O102 P102 Co1 121.7(3) . . ?
O102 P102 Co2 118.0(4) . . ?
O102 P102 O106 106.7(5) . . ?
O102 P102 O107 108.8(6) . . ?
O106 P102 Co1 108.3(4) . . ?
O106 P102 Co2 96.0(5) . . ?
O106 P102 O107 101.7(5) . . ?
O107 P102 Co1 107.8(4) . . ?
O107 P102 Co2 122.0(5) . . ?
O103 P103 Co1 117.3(3) . . ?
O103 P103 Co2 113.3(3) . . ?
O103 P103 O108 108.3(5) . . ?
O103 P103 O109 106.2(5) . . ?
O108 P103 Co1 113.3(4) . . ?
O108 P103 Co2 126.1(4) . . ?
O109 P103 Co1 110.0(4) . . ?
O109 P103 Co2 99.4(5) . . ?
O109 P103 O108 100.3(5) . . ?
P101 O101 Tb1 136.1(4) . . ?
P101 O101 Tb2 129.9(4) . . ?
P102 O102 Tb1 135.3(4) . . ?
P102 O102 Tb2 151.7(6) . . ?
P103 O103 Tb1 139.3(4) . . ?
P103 O103 Tb2 136.1(4) . . ?
C101 O104 P101 122.6(11) . . ?
C103 O105 P101 118.2(10) . . ?
C105 O106 P102 121.5(11) . . ?
C107 O107 P102 121.5(8) . . ?
C109 O108 P103 123.4(9) . . ?
C111 O109 P103 118.5(9) . . ?
O104 C101 H10A 109.8 . . ?
O104 C101 H10B 109.8 . . ?
O104 C101 C102 109.5(13) . . ?
H10A C101 H10B 108.2 . . ?
C102 C101 H10A 109.8 . . ?
C102 C101 H10B 109.8 . . ?
C101 C102 H10C 109.5 . . ?
C101 C102 H10D 109.5 . . ?
C101 C102 H10E 109.5 . . ?
H10C C102 H10D 109.5 . . ?
H10C C102 H10E 109.5 . . ?
H10D C102 H10E 109.5 . . ?
O105 C103 H10F 110.0 . . ?
O105 C103 H10G 110.0 . . ?
O105 C103 C104 108.6(11) . . ?
H10F C103 H10G 108.4 . . ?
C104 C103 H10F 110.0 . . ?
C104 C103 H10G 110.0 . . ?
C103 C104 H10H 109.5 . . ?
C103 C104 H10I 109.5 . . ?
C103 C104 H10J 109.5 . . ?
H10H C104 H10I 109.5 . . ?
H10H C104 H10J 109.5 . . ?
H10I C104 H10J 109.5 . . ?
O106 C105 H10K 110.0 . . ?
O106 C105 H10L 110.0 . . ?
O106 C105 C106 108.6(14) . . ?
H10K C105 H10L 108.3 . . ?
C106 C105 H10K 110.0 . . ?
C106 C105 H10L 110.0 . . ?
C105 C106 H10M 109.5 . . ?
C105 C106 H10N 109.5 . . ?
C105 C106 H10O 109.5 . . ?
H10M C106 H10N 109.5 . . ?
H10M C106 H10O 109.5 . . ?
H10N C106 H10O 109.5 . . ?
O107 C107 H10P 110.0 . . ?
O107 C107 H10Q 110.0 . . ?
O107 C107 C108 108.7(10) . . ?
H10P C107 H10Q 108.3 . . ?
C108 C107 H10P 110.0 . . ?
C108 C107 H10Q 110.0 . . ?
C107 C108 H10R 109.5 . . ?
C107 C108 H10S 109.5 . . ?
C107 C108 H10T 109.5 . . ?
H10R C108 H10S 109.5 . . ?
H10R C108 H10T 109.5 . . ?
H10S C108 H10T 109.5 . . ?
O108 C109 H10U 109.2 . . ?
O108 C109 H10V 109.2 . . ?
O108 C109 C110 112.3(12) . . ?
H10U C109 H10V 107.9 . . ?
C110 C109 H10U 109.2 . . ?
C110 C109 H10V 109.2 . . ?
C109 C110 H11A 109.5 . . ?
C109 C110 H11B 109.5 . . ?
C109 C110 H11C 109.5 . . ?
H11A C110 H11B 109.5 . . ?
H11A C110 H11C 109.5 . . ?
H11B C110 H11C 109.5 . . ?
O109 C111 H11D 109.0 . . ?
O109 C111 H11E 109.0 . . ?
O109 C111 C112 112.8(13) . . ?
H11D C111 H11E 107.8 . . ?
C112 C111 H11D 109.0 . . ?
C112 C111 H11E 109.0 . . ?
C111 C112 H11F 109.5 . . ?
C111 C112 H11G 109.5 . . ?
C111 C112 H11H 109.5 . . ?
H11F C112 H11G 109.5 . . ?
H11F C112 H11H 109.5 . . ?
H11G C112 H11H 109.5 . . ?
O201 P201 Co1 114.8(9) . . ?
O201 P201 Co2 122.2(10) . . ?
O201 P201 O204 103.8(14) . . ?
O201 P201 O205 120.9(14) . . ?
O204 P201 Co1 105.1(10) . . ?
O204 P201 Co2 88.8(10) . . ?
O205 P201 Co1 106.4(12) . . ?
O205 P201 Co2 109.4(11) . . ?
O205 P201 O204 104.2(12) . . ?
O202 P202 Co1 121.4(10) . . ?
O202 P202 Co2 112.4(10) . . ?
O202 P202 O206 97.0(15) . . ?
O202 P202 O207 107.7(15) . . ?
O206 P202 Co1 126.4(12) . . ?
O206 P202 Co2 128.4(12) . . ?
O207 P202 Co1 100.9(11) . . ?
O207 P202 Co2 108.5(11) . . ?
O207 P202 O206 100.8(12) . . ?
O203 P203 Co1 112.5(10) . . ?
O203 P203 Co2 124.0(10) . . ?
O203 P203 O208 106.0(13) . . ?
O203 P203 O209 109.6(14) . . ?
O208 P203 Co1 101.6(11) . . ?
O208 P203 Co2 109.9(11) . . ?
O208 P203 O209 101.5(12) . . ?
O209 P203 Co1 123.3(12) . . ?
O209 P203 Co2 103.7(12) . . ?
P201 O201 Tb1 136.2(12) . . ?
P201 O201 Tb2 133.3(12) . . ?
P202 O202 Tb1 140.0(13) . . ?
P202 O202 Tb2 153.7(14) . . ?
P203 O203 Tb1 135.9(13) . . ?
P203 O203 Tb2 129.0(12) . . ?
C201 O204 P201 121.9(19) . . ?
C203 O205 P201 124(2) . . ?
C205 O206 P202 115(2) . . ?
C207 O207 P202 114.9(19) . . ?
C209 O208 P203 111.6(18) . . ?
C211 O209 P203 115(2) . . ?
O204 C201 H20A 110.6 . . ?
O204 C201 H20B 110.6 . . ?
O204 C201 C202 105.7(15) . . ?
H20A C201 H20B 108.7 . . ?
C202 C201 H20A 110.6 . . ?
C202 C201 H20B 110.6 . . ?
C201 C202 H20C 109.5 . . ?
C201 C202 H20D 109.5 . . ?
C201 C202 H20E 109.5 . . ?
H20C C202 H20D 109.5 . . ?
H20C C202 H20E 109.5 . . ?
H20D C202 H20E 109.5 . . ?
O205 C203 H20F 110.5 . . ?
O205 C203 H20G 110.5 . . ?
O205 C203 C204 106.1(16) . . ?
H20F C203 H20G 108.7 . . ?
C204 C203 H20F 110.5 . . ?
C204 C203 H20G 110.5 . . ?
C203 C204 H20H 109.5 . . ?
C203 C204 H20I 109.5 . . ?
C203 C204 H20J 109.5 . . ?
H20H C204 H20I 109.5 . . ?
H20H C204 H20J 109.5 . . ?
H20I C204 H20J 109.5 . . ?
O206 C205 H20K 110.4 . . ?
O206 C205 H20L 110.4 . . ?
O206 C205 C206 106.6(16) . . ?
H20K C205 H20L 108.6 . . ?
C206 C205 H20K 110.4 . . ?
C206 C205 H20L 110.4 . . ?
C205 C206 H20M 109.5 . . ?
C205 C206 H20N 109.5 . . ?
C205 C206 H20O 109.5 . . ?
H20M C206 H20N 109.5 . . ?
H20M C206 H20O 109.5 . . ?
H20N C206 H20O 109.5 . . ?
O207 C207 H20P 110.2 . . ?
O207 C207 H20Q 110.2 . . ?
H20P C207 H20Q 108.5 . . ?
C208 C207 O207 107.3(16) . . ?
C208 C207 H20P 110.2 . . ?
C208 C207 H20Q 110.2 . . ?
C207 C208 H20R 109.5 . . ?
C207 C208 H20S 109.5 . . ?
C207 C208 H20T 109.5 . . ?
H20R C208 H20S 109.5 . . ?
H20R C208 H20T 109.5 . . ?
H20S C208 H20T 109.5 . . ?
O208 C209 H20U 110.3 . . ?
O208 C209 H20V 110.3 . . ?
H20U C209 H20V 108.5 . . ?
C210 C209 O208 107.3(16) . . ?
C210 C209 H20U 110.3 . . ?
C210 C209 H20V 110.3 . . ?
C209 C210 H21A 109.5 . . ?
C209 C210 H21B 109.5 . . ?
C209 C210 H21C 109.5 . . ?
H21A C210 H21B 109.5 . . ?
H21A C210 H21C 109.5 . . ?
H21B C210 H21C 109.5 . . ?
O209 C211 H21D 110.3 . . ?
O209 C211 H21E 110.3 . . ?
O209 C211 C212 107.1(16) . . ?
H21D C211 H21E 108.5 . . ?
C212 C211 H21D 110.3 . . ?
C212 C211 H21E 110.3 . . ?
C211 C212 H21F 109.5 . . ?
C211 C212 H21G 109.5 . . ?
C211 C212 H21H 109.5 . . ?
H21F C212 H21G 109.5 . . ?
H21F C212 H21H 109.5 . . ?
H21G C212 H21H 109.5 . . ?
Co1 C121 H121 125.8 . . ?
C122 C121 Co1 69.4(3) . . ?
C122 C121 H121 126.0 . . ?
C122 C121 C125 108.0 . . ?
C125 C121 Co1 70.5(3) . . ?
C125 C121 H121 126.0 . . ?
Co1 C122 H122 125.0 . . ?
C121 C122 Co1 70.9(3) . . ?
C121 C122 H122 126.0 . . ?
C121 C122 C123 108.0 . . ?
C123 C122 Co1 69.7(2) . . ?
C123 C122 H122 126.0 . . ?
Co1 C123 H123 124.7 . . ?
C122 C123 Co1 70.3(3) . . ?
C122 C123 H123 126.0 . . ?
C124 C123 Co1 70.6(3) . . ?
C124 C123 C122 108.0 . . ?
C124 C123 H123 126.0 . . ?
Co1 C124 H124 125.3 . . ?
C123 C124 Co1 69.4(3) . . ?
C123 C124 H124 126.0 . . ?
C123 C124 C125 108.0 . . ?
C125 C124 Co1 70.9(3) . . ?
C125 C124 H124 126.0 . . ?
Co1 C125 H125 126.0 . . ?
C121 C125 Co1 70.1(3) . . ?
C121 C125 H125 126.0 . . ?
C124 C125 Co1 69.5(2) . . ?
C124 C125 C121 108.0 . . ?
C124 C125 H125 126.0 . . ?
Co2 C221 H221 126.3 . . ?
C222 C221 Co2 69.6(4) . . ?
C222 C221 H221 126.0 . . ?
C222 C221 C225 108.0 . . ?
C225 C221 Co2 69.7(4) . . ?
C225 C221 H221 126.0 . . ?
Co2 C222 H222 126.4 . . ?
C221 C222 Co2 69.3(4) . . ?
C221 C222 H222 126.0 . . ?
C223 C222 Co2 69.8(4) . . ?
C223 C222 C221 108.0 . . ?
C223 C222 H222 126.0 . . ?
Co2 C223 H223 126.7 . . ?
C222 C223 Co2 69.2(4) . . ?
C222 C223 H223 126.0 . . ?
C222 C223 C224 108.0 . . ?
C224 C223 Co2 69.6(4) . . ?
C224 C223 H223 126.0 . . ?
Co2 C224 H224 126.8 . . ?
C223 C224 Co2 69.5(4) . . ?
C223 C224 H224 126.0 . . ?
C225 C224 Co2 69.3(4) . . ?
C225 C224 C223 108.0 . . ?
C225 C224 H224 126.0 . . ?
Co2 C225 H225 126.5 . . ?
C221 C225 Co2 69.2(4) . . ?
C221 C225 H225 126.0 . . ?
C224 C225 Co2 69.8(4) . . ?
C224 C225 C221 108.0 . . ?
C224 C225 H225 126.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Tb1 N1 C1 C2 148.2(4) . . . . ?
Tb1 N1 C1 C20 -32.0(8) . . . . ?
Tb1 N1 C4 C3 -147.1(4) . . . . ?
Tb1 N1 C4 C5 34.1(7) . . . . ?
Tb1 N2 C6 C5 -31.9(9) . . . . ?
Tb1 N2 C6 C7 151.8(5) . . . . ?
Tb1 N2 C9 C8 -150.6(6) . . . . ?
Tb1 N2 C9 C10 30.5(11) . . . . ?
Tb1 N3 C11 C10 -33.2(9) . . . . ?
Tb1 N3 C11 C12 148.8(5) . . . . ?
Tb1 N3 C14 C13 -147.8(5) . . . . ?
Tb1 N3 C14 C15 31.4(8) . . . . ?
Tb1 N4 C16 C15 -33.3(8) . . . . ?
Tb1 N4 C16 C17 150.8(5) . . . . ?
Tb1 N4 C19 C18 -151.6(5) . . . . ?
Tb1 N4 C19 C20 30.2(8) . . . . ?
Tb2 N1 C1 C2 151.2(4) . . . . ?
Tb2 N1 C1 C20 -29.0(9) . . . . ?
Tb2 N1 C4 C3 -157.4(4) . . . . ?
Tb2 N1 C4 C5 23.8(7) . . . . ?
Tb2 N2 C6 C5 -45.9(11) . . . . ?
Tb2 N2 C6 C7 137.7(7) . . . . ?
Tb2 N2 C9 C8 -148.4(6) . . . . ?
Tb2 N2 C9 C10 32.7(10) . . . . ?
Tb2 N3 C11 C10 -32.9(8) . . . . ?
Tb2 N3 C11 C12 149.0(5) . . . . ?
Tb2 N3 C14 C13 -134.6(7) . . . . ?
Tb2 N3 C14 C15 44.7(10) . . . . ?
Tb2 N4 C16 C15 -22.8(7) . . . . ?
Tb2 N4 C16 C17 161.2(5) . . . . ?
Tb2 N4 C19 C18 -156.8(5) . . . . ?
Tb2 N4 C19 C20 25.0(9) . . . . ?
Co1 P101 O101 Tb1 4.2(10) . . . . ?
Co1 P101 O104 C101 -112.9(12) . . . . ?
Co1 P101 O105 C103 -179.3(11) . . . . ?
Co1 P102 O102 Tb1 4.0(9) . . . . ?
Co1 P102 O106 C105 -116.3(12) . . . . ?
Co1 P102 O107 C107 173.2(11) . . . . ?
Co1 P103 O103 Tb1 -14.2(9) . . . . ?
Co1 P103 O108 C109 -62.8(10) . . . . ?
Co1 P103 O109 C111 -174.1(10) . . . . ?
Co1 P201 O201 Tb1 -11(3) . . . . ?
Co1 P201 O204 C201 -162(3) . . . . ?
Co1 P201 O205 C203 115(3) . . . . ?
Co1 P202 O202 Tb1 -17(3) . . . . ?
Co1 P202 O206 C205 153(3) . . . . ?
Co1 P202 O207 C207 168(3) . . . . ?
Co1 P203 O203 Tb1 -45(2) . . . . ?
Co1 P203 O208 C209 -49(2) . . . . ?
Co1 P203 O209 C211 -179(3) . . . . ?
Co1 C121 C122 C123 60.1(2) . . . . ?
Co1 C121 C125 C124 -59.4(3) . . . . ?
Co1 C122 C123 C124 60.9(3) . . . . ?
Co1 C123 C124 C125 60.6(3) . . . . ?
Co1 C124 C125 C121 59.7(3) . . . . ?
Co2 P101 O101 Tb2 -6.8(12) . . . . ?
Co2 P101 O104 C101 -127.9(13) . . . . ?
Co2 P101 O105 C103 -169.6(12) . . . . ?
Co2 P102 O102 Tb2 -19.8(15) . . . . ?
Co2 P102 O106 C105 -105.3(12) . . . . ?
Co2 P102 O107 C107 -177.8(10) . . . . ?
Co2 P103 O103 Tb2 24.2(8) . . . . ?
Co2 P103 O108 C109 -70.2(11) . . . . ?
Co2 P103 O109 C111 175.9(10) . . . . ?
Co2 P201 O201 Tb2 -53(2) . . . . ?
Co2 P201 O204 C201 -164(3) . . . . ?
Co2 P201 O205 C203 132(3) . . . . ?
Co2 P202 O202 Tb2 2(4) . . . . ?
Co2 P202 O206 C205 165(3) . . . . ?
Co2 P202 O207 C207 162(3) . . . . ?
Co2 P203 O203 Tb2 -17(2) . . . . ?
Co2 P203 O208 C209 -68(2) . . . . ?
Co2 P203 O209 C211 179(3) . . . . ?
Co2 C221 C222 C223 59.3(5) . . . . ?
Co2 C221 C225 C224 -59.3(5) . . . . ?
Co2 C222 C223 C224 59.0(5) . . . . ?
Co2 C223 C224 C225 58.7(5) . . . . ?
Co2 C224 C225 C221 58.9(5) . . . . ?
N1 Tb2 O102 P102 68.9(15) . . . . ?
N1 C1 C2 C3 1.2(7) . . . . ?
N1 C1 C20 C19 -6.7(11) . . . . ?
N1 C1 C20 C21 175.8(6) . . . . ?
N1 C4 C5 C6 0.9(10) . . . . ?
N1 C4 C5 C43 -179.6(5) . . . . ?
N2 Tb2 O102 P102 146.5(12) . . . . ?
N2 C6 C7 C8 -1.1(10) . . . . ?
N2 C9 C10 C11 8.5(13) . . . . ?
N2 C9 C10 C32 -174.0(8) . . . . ?
N3 Tb2 O102 P102 -115.1(13) . . . . ?
N3 C11 C12 C13 0.0(9) . . . . ?
N3 C14 C15 C16 1.6(11) . . . . ?
N3 C14 C15 C57 179.6(6) . . . . ?
N4 Tb2 O102 P102 -30.2(17) . . . . ?
N4 C16 C17 C18 0.2(8) . . . . ?
N4 C19 C20 C1 7.9(11) . . . . ?
N4 C19 C20 C21 -174.6(6) . . . . ?
C1 N1 C4 C3 1.6(6) . . . . ?
C1 N1 C4 C5 -177.2(5) . . . . ?
C1 C2 C3 C4 -0.1(7) . . . . ?
C2 C1 C20 C19 173.1(6) . . . . ?
C2 C1 C20 C21 -4.4(10) . . . . ?
C2 C3 C4 N1 -0.9(7) . . . . ?
C2 C3 C4 C5 177.8(6) . . . . ?
C3 C4 C5 C6 -177.6(6) . . . . ?
C3 C4 C5 C43 1.9(9) . . . . ?
C4 N1 C1 C2 -1.7(7) . . . . ?
C4 N1 C1 C20 178.1(6) . . . . ?
C4 C5 C6 N2 -1.6(11) . . . . ?
C4 C5 C6 C7 174.1(7) . . . . ?
C4 C5 C43 C44 -65.9(9) . . . . ?
C4 C5 C43 C48 115.1(8) . . . . ?
C5 C6 C7 C8 -177.4(8) . . . . ?
C5 C43 C44 C45 178.2(9) . . . . ?
C5 C43 C48 C47 179.6(8) . . . . ?
C6 N2 C9 C8 1.1(9) . . . . ?
C6 N2 C9 C10 -177.8(8) . . . . ?
C6 C5 C43 C44 113.7(9) . . . . ?
C6 C5 C43 C48 -65.4(10) . . . . ?
C6 C7 C8 C9 1.7(11) . . . . ?
C7 C8 C9 N2 -1.8(11) . . . . ?
C7 C8 C9 C10 177.1(9) . . . . ?
C8 C9 C10 C11 -170.3(8) . . . . ?
C8 C9 C10 C32 7.3(13) . . . . ?
C9 N2 C6 C5 176.4(7) . . . . ?
C9 N2 C6 C7 0.0(8) . . . . ?
C9 C10 C11 N3 -6.6(13) . . . . ?
C9 C10 C11 C12 171.2(8) . . . . ?
C10 C11 C12 C13 -178.1(7) . . . . ?
C11 N3 C14 C13 1.6(7) . . . . ?
C11 N3 C14 C15 -179.1(6) . . . . ?
C11 C12 C13 C14 1.0(9) . . . . ?
C12 C13 C14 N3 -1.6(8) . . . . ?
C12 C13 C14 C15 179.2(7) . . . . ?
C13 C14 C15 C16 -179.3(7) . . . . ?
C13 C14 C15 C57 -1.3(10) . . . . ?
C14 N3 C11 C10 177.0(7) . . . . ?
C14 N3 C11 C12 -1.0(8) . . . . ?
C14 C15 C16 N4 -1.8(10) . . . . ?
C14 C15 C16 C17 173.5(7) . . . . ?
C14 C15 C57 C58 113.9(9) . . . . ?
C14 C15 C57 C62 -62.3(10) . . . . ?
C15 C16 C17 C18 -175.6(6) . . . . ?
C15 C57 C58 C59 -178.2(10) . . . . ?
C15 C57 C62 C61 177.5(8) . . . . ?
C16 N4 C19 C18 1.5(7) . . . . ?
C16 N4 C19 C20 -176.6(6) . . . . ?
C16 C15 C57 C58 -67.8(10) . . . . ?
C16 C15 C57 C62 115.9(8) . . . . ?
C16 C17 C18 C19 0.8(8) . . . . ?
C17 C18 C19 N4 -1.5(8) . . . . ?
C17 C18 C19 C20 176.7(7) . . . . ?
C18 C19 C20 C1 -169.9(7) . . . . ?
C18 C19 C20 C21 7.6(10) . . . . ?
C19 N4 C16 C15 174.9(6) . . . . ?
C19 N4 C16 C17 -1.0(7) . . . . ?
C20 C1 C2 C3 -178.6(6) . . . . ?
C22 Si1 C26 C27 -93.2(14) . . . . ?
C22 Si1 C26 C28 35.3(15) . . . . ?
C22 Si1 C29 C30 54.4(15) . . . . ?
C22 Si1 C29 C31 -70.0(17) . . . . ?
C23 Si1 C26 C27 24.7(16) . . . . ?
C23 Si1 C26 C28 153.2(13) . . . . ?
C23 Si1 C29 C30 -60.4(15) . . . . ?
C23 Si1 C29 C31 175.2(16) . . . . ?
C26 Si1 C29 C30 173.6(13) . . . . ?
C26 Si1 C29 C31 49.1(18) . . . . ?
C29 Si1 C26 C27 149.8(14) . . . . ?
C29 Si1 C26 C28 -81.7(15) . . . . ?
C32 C10 C11 N3 175.8(7) . . . . ?
C32 C10 C11 C12 -6.3(12) . . . . ?
C33 Si2 C34 C35 -76.1(14) . . . . ?
C33 Si2 C34 C36 167.6(16) . . . . ?
C33 Si2 C37 C38 68.8(16) . . . . ?
C33 Si2 C37 C39 -179.6(14) . . . . ?
C33 Si2 C40 C41 -54.2(14) . . . . ?
C33 Si2 C40 C42 62.3(14) . . . . ?
C34 Si2 C37 C38 -54.3(18) . . . . ?
C34 Si2 C37 C39 57.3(19) . . . . ?
C34 Si2 C40 C41 54.4(14) . . . . ?
C34 Si2 C40 C42 171.0(14) . . . . ?
C37 Si2 C34 C35 48.1(17) . . . . ?
C37 Si2 C34 C36 -68(2) . . . . ?
C37 Si2 C40 C41 -166.2(14) . . . . ?
C37 Si2 C40 C42 -49.7(14) . . . . ?
C40 Si2 C34 C35 171.5(14) . . . . ?
C40 Si2 C34 C36 55.2(18) . . . . ?
C40 Si2 C37 C38 -177.6(15) . . . . ?
C40 Si2 C37 C39 -66.0(16) . . . . ?
C43 C5 C6 N2 179.0(6) . . . . ?
C43 C5 C6 C7 -5.4(10) . . . . ?
C43 C44 C45 C46 4.0(15) . . . . ?
C43 C44 C45 C49 -179.1(9) . . . . ?
C44 C43 C48 C47 0.5(14) . . . . ?
C44 C45 C46 C47 -3.3(18) . . . . ?
C44 C45 C49 C50 47.7(14) . . . . ?
C44 C45 C49 C51 168.4(12) . . . . ?
C44 C45 C49 C52 -70.2(13) . . . . ?
C45 C46 C47 C48 1.2(18) . . . . ?
C45 C46 C47 C53 179.0(10) . . . . ?
C46 C45 C49 C50 -135.7(12) . . . . ?
C46 C45 C49 C51 -15.0(16) . . . . ?
C46 C45 C49 C52 106.4(13) . . . . ?
C46 C47 C48 C43 0.2(15) . . . . ?
C46 C47 C53 C54 63.7(14) . . . . ?
C46 C47 C53 C55 -57.4(15) . . . . ?
C46 C47 C53 C56 -177.1(12) . . . . ?
C48 C43 C44 C45 -2.7(14) . . . . ?
C48 C47 C53 C54 -118.7(12) . . . . ?
C48 C47 C53 C55 120.2(12) . . . . ?
C48 C47 C53 C56 0.5(15) . . . . ?
C49 C45 C46 C47 180.0(11) . . . . ?
C53 C47 C48 C43 -177.5(9) . . . . ?
C57 C15 C16 N4 -179.8(6) . . . . ?
C57 C15 C16 C17 -4.5(10) . . . . ?
C57 C58 C59 C60 0.6(18) . . . . ?
C57 C58 C59 C63 178.8(11) . . . . ?
C58 C57 C62 C61 1.4(14) . . . . ?
C58 C59 C60 C61 2(2) . . . . ?
C58 C59 C63 C64 -94.6(18) . . . . ?
C58 C59 C63 C65 140.6(16) . . . . ?
C58 C59 C63 C66 10.9(19) . . . . ?
C59 C60 C61 C62 -2.4(18) . . . . ?
C59 C60 C61 C67 173.0(12) . . . . ?
C60 C59 C63 C64 83.6(18) . . . . ?
C60 C59 C63 C65 -41.2(19) . . . . ?
C60 C59 C63 C66 -170.9(16) . . . . ?
C60 C61 C62 C57 0.8(14) . . . . ?
C60 C61 C67 C68 -76.1(14) . . . . ?
C60 C61 C67 C69 50.7(16) . . . . ?
C60 C61 C67 C70 169.7(14) . . . . ?
C62 C57 C58 C59 -2.1(16) . . . . ?
C62 C61 C67 C68 98.8(13) . . . . ?
C62 C61 C67 C69 -134.3(12) . . . . ?
C62 C61 C67 C70 -15.3(16) . . . . ?
C63 C59 C60 C61 -176.6(12) . . . . ?
C67 C61 C62 C57 -174.4(9) . . . . ?
P101 O104 C101 C102 -100.0(19) . . . . ?
P101 O105 C103 C104 103.9(17) . . . . ?
P102 Co2 P101 O101 29.7(8) . . . . ?
P102 Co2 P101 O104 165.2(5) . . . . ?
P102 Co2 P101 O105 -94.5(5) . . . . ?
P102 O106 C105 C106 -102.4(17) . . . . ?
P102 O107 C107 C108 -178.7(13) . . . . ?
P103 Co2 P101 O101 -46.8(8) . . . . ?
P103 Co2 P101 O104 88.7(5) . . . . ?
P103 Co2 P101 O105 -171.0(5) . . . . ?
P103 O108 C109 C110 -79.2(18) . . . . ?
P103 O109 C111 C112 -147.4(12) . . . . ?
O101 Tb2 O102 P102 38.7(12) . . . . ?
O101 P101 O104 C101 20.6(14) . . . . ?
O101 P101 O105 C103 50.2(13) . . . . ?
O102 P102 O106 C105 16.3(14) . . . . ?
O102 P102 O107 C107 39.4(13) . . . . ?
O103 Tb2 O102 P102 -30.2(12) . . . . ?
O103 P103 O108 C109 69.0(11) . . . . ?
O103 P103 O109 C111 58.1(12) . . . . ?
O104 P101 O101 Tb1 -125.4(8) . . . . ?
O104 P101 O101 Tb2 -141.9(7) . . . . ?
O104 P101 O105 C103 -63.2(12) . . . . ?
O105 P101 O101 Tb1 125.8(8) . . . . ?
O105 P101 O101 Tb2 109.2(7) . . . . ?
O105 P101 O104 C101 138.6(13) . . . . ?
O106 P102 O102 Tb1 -120.8(7) . . . . ?
O106 P102 O102 Tb2 -126.2(12) . . . . ?
O106 P102 O107 C107 -73.0(12) . . . . ?
O107 P102 O102 Tb1 130.2(7) . . . . ?
O107 P102 O102 Tb2 124.8(12) . . . . ?
O107 P102 O106 C105 130.3(13) . . . . ?
O108 P103 O103 Tb1 -143.8(7) . . . . ?
O108 P103 O103 Tb2 -120.7(7) . . . . ?
O108 P103 O109 C111 -54.5(12) . . . . ?
O109 P103 O103 Tb1 109.2(8) . . . . ?
O109 P103 O103 Tb2 132.3(7) . . . . ?
O109 P103 O108 C109 -179.9(10) . . . . ?
P201 Co1 P202 O202 -37.6(14) . . . . ?
P201 Co1 P202 O206 91.4(16) . . . . ?
P201 Co1 P202 O207 -156.4(12) . . . . ?
P201 O204 C201 C202 -41(4) . . . . ?
P201 O205 C203 C204 114(3) . . . . ?
P202 O206 C205 C206 146(4) . . . . ?
P202 O207 C207 C208 -165(3) . . . . ?
P203 Co1 P202 O202 41.3(15) . . . . ?
P203 Co1 P202 O206 170.3(16) . . . . ?
P203 Co1 P202 O207 -77.5(12) . . . . ?
P203 O208 C209 C210 -141(3) . . . . ?
P203 O209 C211 C212 -138(5) . . . . ?
O201 P201 O204 C201 -42(3) . . . . ?
O201 P201 O205 C203 -18(3) . . . . ?
O202 P202 O206 C205 -69(3) . . . . ?
O202 P202 O207 C207 40(4) . . . . ?
O203 P203 O208 C209 69(3) . . . . ?
O203 P203 O209 C211 45(3) . . . . ?
O204 P201 O201 Tb1 -125(2) . . . . ?
O204 P201 O201 Tb2 -149.9(19) . . . . ?
O204 P201 O205 C203 -134(3) . . . . ?
O205 P201 O201 Tb1 119(2) . . . . ?
O205 P201 O201 Tb2 94(2) . . . . ?
O205 P201 O204 C201 86(3) . . . . ?
O206 P202 O202 Tb1 -158(2) . . . . ?
O206 P202 O202 Tb2 -135(4) . . . . ?
O206 P202 O207 C207 -61(3) . . . . ?
O207 P202 O202 Tb1 99(3) . . . . ?
O207 P202 O202 Tb2 122(4) . . . . ?
O207 P202 O206 C205 41(3) . . . . ?
O208 P203 O203 Tb1 -155.3(19) . . . . ?
O208 P203 O203 Tb2 -145.4(15) . . . . ?
O208 P203 O209 C211 -67(3) . . . . ?
O209 P203 O203 Tb1 96(2) . . . . ?
O209 P203 O203 Tb2 105.8(18) . . . . ?
O209 P203 O208 C209 -177(2) . . . . ?
C121 Co1 P202 O202 -130.6(13) . . . . ?
C121 Co1 P202 O206 -1.7(17) . . . . ?
C121 Co1 P202 O207 110.6(13) . . . . ?
C121 C122 C123 Co1 -60.9(3) . . . . ?
C121 C122 C123 C124 0.0 . . . . ?
C122 Co1 P202 O202 177.3(15) . . . . ?
C122 Co1 P202 O206 -54(2) . . . . ?
C122 Co1 P202 O207 59(2) . . . . ?
C122 C121 C125 Co1 59.4(3) . . . . ?
C122 C121 C125 C124 0.0 . . . . ?
C122 C123 C124 Co1 -60.6(3) . . . . ?
C122 C123 C124 C125 0.0 . . . . ?
C123 Co1 P202 O202 142.9(13) . . . . ?
C123 Co1 P202 O206 -88.1(17) . . . . ?
C123 Co1 P202 O207 24.1(13) . . . . ?
C123 C124 C125 Co1 -59.7(3) . . . . ?
C123 C124 C125 C121 0.0 . . . . ?
C124 Co1 P202 O202 168.8(14) . . . . ?
C124 Co1 P202 O206 -62.2(16) . . . . ?
C124 Co1 P202 O207 50.0(12) . . . . ?
C125 Co1 P202 O202 -151.7(14) . . . . ?
C125 Co1 P202 O206 -22.7(16) . . . . ?
C125 Co1 P202 O207 89.6(12) . . . . ?
C125 C121 C122 Co1 -60.1(2) . . . . ?
C125 C121 C122 C123 0.0 . . . . ?
C221 Co2 P101 O101 156.0(13) . . . . ?
C221 Co2 P101 O104 -68.5(12) . . . . ?
C221 Co2 P101 O105 31.7(12) . . . . ?
C221 C222 C223 Co2 -59.0(5) . . . . ?
C221 C222 C223 C224 0.0 . . . . ?
C222 Co2 P101 O101 -161.5(12) . . . . ?
C222 Co2 P101 O104 -26.0(12) . . . . ?
C222 Co2 P101 O105 74.3(12) . . . . ?
C222 C221 C225 Co2 59.3(5) . . . . ?
C222 C221 C225 C224 0.0 . . . . ?
C222 C223 C224 Co2 -58.7(5) . . . . ?
C222 C223 C224 C225 0.0 . . . . ?
C223 Co2 P101 O101 -130.3(12) . . . . ?
C223 Co2 P101 O104 5.2(12) . . . . ?
C223 Co2 P101 O105 105.5(11) . . . . ?
C223 C224 C225 Co2 -58.9(5) . . . . ?
C223 C224 C225 C221 0.0 . . . . ?
C225 Co2 P101 O101 122.0(16) . . . . ?
C225 Co2 P101 O104 -102.5(16) . . . . ?
C225 Co2 P101 O105 -2.2(16) . . . . ?
C225 C221 C222 Co2 -59.3(5) . . . . ?
C225 C221 C222 C223 0.0 . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 0.000 487.1 124.4 1.5CH2Cl2
2 0.000 0.500 0.500 487.1 124.4 1.5CH2Cl2
3 0.453 0.699 0.567 15.5 0.0 ?
4 0.453 0.801 0.067 15.5 0.0 ?
5 0.547 0.199 0.933 15.5 0.0 ?
6 0.547 0.301 0.433 15.5 0.0 ?

_olex2_diffrn_ambient_temperature_device 'Oxford Cryosystems'
_olex2_exptl_crystal_mounting_method 
'The crystal was mounted on a MITIGEN holder in perfluoroether oil'
_olex2_submission_original_sample_id Tb-Por
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.909
_oxdiff_exptl_absorpt_empirical_full_min 0.399
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_P1starDy
_database_code_depnum_ccdc_archive 'CCDC 1565181'
_audit_update_record             
;
2017-07-27 deposited with the CCDC.
2018-10-18 downloaded from the CCDC.
;
_audit_creation_date             2017-06-14
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2017.06.07 svn.r3419 for OlexSys, GUI svn.r5353)
;
#2016ncs0710
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.25(C356 H500 Co4 Dy4 N24 O36 P12 Si8)'
_chemical_formula_sum            'C89 H125 Co Dy N6 O9 P3 Si2'
_chemical_formula_weight         1793.46
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C89 H125 Co Dy N6 O9 P3 Si2'
_chemical_oxdiff_usercomment     Dy-Por-CN
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   16.1981(3)
_cell_length_b                   23.3852(4)
_cell_length_c                   25.4730(5)
_cell_angle_alpha                73.821(2)
_cell_angle_beta                 89.254(2)
_cell_angle_gamma                86.9650(10)
_cell_volume                     9253.9(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    60003
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.0030
_cell_measurement_theta_min      2.1280
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.114
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.43541
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.9g (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dark purple'
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    purple
_exptl_crystal_density_diffrn    1.287
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             3756
_exptl_crystal_preparation       ?
_exptl_crystal_recrystallization_method 
'The material was recrystallised from a mixture of methanol and DCM by as supplied'
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.015
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0767
_diffrn_reflns_av_unetI/netI     0.0651
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            201316
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.486
_diffrn_reflns_theta_min         2.086
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_detector_type            'Rigaku HG Saturn724+ (2x2 bin mode)'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -33.00  94.00   1.00   35.00    --    5.00  57.00   0.00  127
  2  ω   -109.00  21.00   1.00   35.00    --  -19.60 -72.00   0.00  130
  3  ω   -109.00  19.00   1.00   35.00    --  -19.60 -38.00  90.00  128
  4  ω   -109.00  21.00   1.00   35.00    --  -19.60 -72.00  90.00  130
  5  ω    -60.00  70.00   1.00   35.00    --  -19.60  72.00 -60.00  130
  6  ω   -109.00  19.00   1.00   35.00    --  -19.60 -57.00 -60.00  128
  7  ω    -60.00  70.00   1.00   35.00    --  -19.60  72.00 -30.00  130
  8  ω   -109.00  19.00   1.00   35.00    --  -19.60 -57.00-150.00  128
  9  ω    -58.00  21.00   1.00   35.00    --  -19.60  57.00 150.00   79
;
_diffrn_measurement_device       'four-circle κ goniometer'
_diffrn_measurement_device_type  
'Rigaku FRE+ equipped with HF Varimax confocal mirrors and an AFC12 goniometer and HG Saturn 724+ detector'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support 'MiTeGen MicroLoop'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0218935000
_diffrn_orient_matrix_UB_12      0.0234360000
_diffrn_orient_matrix_UB_13      -0.0173583000
_diffrn_orient_matrix_UB_21      -0.0062834000
_diffrn_orient_matrix_UB_22      -0.0118938000
_diffrn_orient_matrix_UB_23      -0.0223046000
_diffrn_orient_matrix_UB_31      -0.0374709000
_diffrn_orient_matrix_UB_32      0.0175877000
_diffrn_orient_matrix_UB_33      -0.0064623000
_diffrn_radiation_collimation    0.2
_diffrn_radiation_monochromator  'Confocal mirrors, HF Varimax'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_xray_symbol    K-L~3~
_diffrn_source                   'Rotating Anode'
_diffrn_source_current           55.0
_diffrn_source_power             2.475
_diffrn_source_target            Mo
_diffrn_source_type              'Rigaku FRE+'
_diffrn_source_voltage           45.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                33616
_reflns_number_total             42360
_reflns_odcompleteness_completeness 99.87
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.42
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.9g (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.9g (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.9g (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         4.089
_refine_diff_density_min         -1.366
_refine_diff_density_rms         0.135
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.117
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2472
_refine_ls_number_reflns         42360
_refine_ls_number_restraints     5794
_refine_ls_R_factor_all          0.1020
_refine_ls_R_factor_gt           0.0782
_refine_ls_restrained_S_all      1.095
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0572P)²+52.5851P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1694
_refine_ls_wR_factor_ref         0.1815
_refine_special_details          
'There is disorder of the phosphine ligands and the silyl side arms. As such various geometrical (DFIX, SADI, SAME, BUMP) and displacement (RIGU, DELU, SIMU) restraints, along with some displacement constriants (EADP) have been used.'
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C53-C54 = C67-C69 = C70-C72 = C253-C254 = C264-C265 = C267-C268 = C267-C269
 1.54 with sigma of 0.02
 C270-C272
 1.54 with sigma of 0.02
 C66-N6 = C66A-N6A = C66B-N6B
 1.19 with sigma of 0.02
 O304-C301 = O305-C303 = O306-C305 = O307-C307 = O308-C309 = O309-C311
 1.44 with sigma of 0.02
 C301-C302 = C303-C304 = C305-C306 = C307-C308 = C309-C310 = C311-C312
 1.54 with sigma of 0.02
 O504-C501 = O505-C503 = O506-C505 = O507-C507 = O508-C509 = O509-C511
 1.44 with sigma of 0.02
 C501-C502 = C503-C504 = C505-C506 = C507-C508 = C509-C510 = C511-C512
 1.54 with sigma of 0.02
 C67A-C68A = C67A-C69A = C67B-C68B = C67B-C69B
 1.54 with sigma of 0.02
 C24-Si2 \\sim C24-Si2A \\sim C24-Si2B
 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.02 and sigma
for terminal atoms of 0.04
Uanis(Si2) = Uanis(Si2A) = Uanis(Si2B)
Uanis(N6) = Uanis(C66) = Uanis(C65)
Uanis(N6A) = Uanis(C66A) = Uanis(C65A)
Uanis(N6B) = Uanis(C66B) = Uanis(C65B)
Uiso(O404) = Uiso(C401) = Uiso(C402)
Uiso(O405) = Uiso(C403) = Uiso(C404)
Uiso(O406) = Uiso(C405) = Uiso(C406)
Uiso(O407) = Uiso(C407) = Uiso(C408)
Uiso(O408) = Uiso(C409) = Uiso(C410)
Uiso(O409) = Uiso(C411) = Uiso(C412)
4. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Same fragment restrains
{Si21, Si22, N201, N202, N203, N204, N205, N206, C201, C202, C203, C204, C205,
C206, C207, C208, C209, C210, C211, C212, C213, C214, C215, C216, C217, C218,
C219, C220, C221, C222, C223, C224, C225, C226, C227, C228, C229, C230, C231,
C232, C233, C234, C235, C236, C237, C238, C239, C240, C241, C242, C243, C244,
C245, C246, C247, C248, C249, C250, C251, C252, C253, C254, C255, C256, C257,
C258, C259, C260, C261, C262, C263, C264, C265, C266, C267, C268, C269, C270,
C271, C272} sigma for 1-2: 0.02, 1-3: 0.04
as
{Si1, Si2, N1, N2, N3, N4, N5, N6, C1, C2, C3, C4, C5, C6, C7, C8, C9, C10,
C11, C12, C13, C14, C15, C16, C17, C18, C19, C20, C21, C22, C23, C24, C25, C26,
C27, C28, C29, C30, C31, C32, C33, C34, C35, C36, C37, C38, C39, C40, C41, C42,
C43, C44, C45, C46, C47, C48, C49, C50, C51, C52, C53, C54, C55, C56, C57, C58,
C59, C60, C61, C62, C63, C64, C65, C66, C67, C68, C69, C70, C71, C72}
{P101, P102, P103, O101, O102, O103, O104, O105, O106, O107, O108, O109, C101,
C102, C103, C104, C105, C106, C107, C108, C109, C110, C111, C112} sigma for
1-2: 0.02, 1-3: 0.04
as
{P401, P402, P403, O401, O402, O403, O404, O405, O406, O407, O408, O409, C401,
C402, C403, C404, C405, C406, C407, C408, C409, C410, C411, C412}
{P301, P302, P303, O301, O302, O303, O304, O305, O306, O307, O308, O309, C301,
C302, C303, C304, C305, C306, C307, C308, C309, C310, C311, C312} sigma for
1-2: 0.02, 1-3: 0.04
as
{P501, P502, P503, O501, O502, O503, O504, O505, O506, O507, O508, O509, C501,
C502, C503, C504, C505, C506, C507, C508, C509, C510, C511, C512}
{Si2, N6, C63, C64, C65, C66, C67, C68, C69, C70, C71, C72} sigma for 1-2:
0.02, 1-3: 0.04
as
{Si2A, N6A, C63A, C64A, C65A, C66A, C67A, C68A, C69A, C70A, C71A, C72A}
{Si2, N6, C63, C64, C65, C66, C67, C68, C69, C70, C71, C72} sigma for 1-2:
0.02, 1-3: 0.04
as
{Si2B, N6B, C63B, C64B, C65B, C66B, C67B, C68B, C69B, C70B, C71B, C72B}
6. Others
 1*[Sof(Si2A)+Sof(N6A)+Sof(C63A)+Sof(H63C)+Sof(H63D)+Sof(C64A)+Sof(H64C)+
 Sof(H64D)+Sof(C65A)+Sof(H65C)+Sof(H65D)+Sof(C66A)+Sof(C67A)+Sof(H67A)+
 Sof(C68A)+Sof(H68D)+Sof(H68E)+Sof(H68F)+Sof(C69A)+Sof(H69D)+Sof(H69E)+
 Sof(H69F)+Sof(C70A)+Sof(H70A)+Sof(C71A)+Sof(H71D)+Sof(H71E)+Sof(H71F)+
 Sof(C72A)+Sof(H72D)+Sof(H72E)+Sof(H72F)]+1*[Sof(Si2)+Sof(N6)+Sof(C63)+
 Sof(H63A)+Sof(H63B)+Sof(C64)+Sof(H64A)+Sof(H64B)+Sof(C65)+Sof(H65A)+Sof(H65B)+
 Sof(C66)+Sof(C67)+Sof(H67)+Sof(C68)+Sof(H68A)+Sof(H68B)+Sof(H68C)+Sof(C69)+
 Sof(H69A)+Sof(H69B)+Sof(H69C)+Sof(C70)+Sof(H70)+Sof(C71)+Sof(H71A)+Sof(H71B)+
 Sof(H71C)+Sof(C72)+Sof(H72A)+Sof(H72B)+Sof(H72C)]+1*[Sof(Si2B)+Sof(N6B)+
 Sof(C63B)+Sof(H63E)+Sof(H63F)+Sof(C64B)+Sof(H64E)+Sof(H64F)+Sof(C65B)+
 Sof(H65E)+Sof(H65F)+Sof(C66B)+Sof(C67B)+Sof(H67B)+Sof(C68B)+Sof(H68G)+
 Sof(H68H)+Sof(H68I)+Sof(C69B)+Sof(H69G)+Sof(H69H)+Sof(H69I)+Sof(C70B)+
 Sof(H70B)+Sof(C71B)+Sof(H71G)+Sof(H71H)+Sof(H71I)+Sof(C72B)+Sof(H72G)+
 Sof(H72H)+Sof(H72I)]=1 with esd of 0.00001
 Sof(P501)=Sof(P502)=Sof(P503)=Sof(O501)=Sof(O502)=Sof(O503)=Sof(O504)=
 Sof(O505)=Sof(O506)=Sof(O507)=Sof(O508)=Sof(O509)=Sof(C501)=Sof(H50D)=
 Sof(H50E)=Sof(C502)=Sof(H50F)=Sof(H50G)=Sof(H50H)=Sof(C503)=Sof(H50I)=
 Sof(H50J)=Sof(C504)=Sof(H50K)=Sof(H50L)=Sof(H50M)=Sof(C505)=Sof(H50N)=
 Sof(H50O)=Sof(C506)=Sof(H50P)=Sof(H50Q)=Sof(H50R)=Sof(C507)=Sof(H50S)=
 Sof(H50T)=Sof(C508)=Sof(H50U)=Sof(H50V)=Sof(H50W)=Sof(C509)=Sof(H50X)=
 Sof(H50Y)=Sof(C510)=Sof(H51D)=Sof(H51E)=Sof(H51F)=Sof(C511)=Sof(H51G)=
 Sof(H51H)=Sof(C512)=Sof(H51I)=Sof(H51J)=Sof(H51K)=1-FVAR(1)
 Sof(P301)=Sof(P302)=Sof(P303)=Sof(O301)=Sof(O302)=Sof(O303)=Sof(O304)=
 Sof(O305)=Sof(O306)=Sof(O307)=Sof(O308)=Sof(O309)=Sof(C301)=Sof(H30A)=
 Sof(H30B)=Sof(C302)=Sof(H30C)=Sof(H30D)=Sof(H30E)=Sof(C303)=Sof(H30F)=
 Sof(H30G)=Sof(C304)=Sof(H30H)=Sof(H30I)=Sof(H30J)=Sof(C305)=Sof(H30K)=
 Sof(H30L)=Sof(C306)=Sof(H30M)=Sof(H30N)=Sof(H30O)=Sof(C307)=Sof(H30P)=
 Sof(H30Q)=Sof(C308)=Sof(H30R)=Sof(H30S)=Sof(H30T)=Sof(C309)=Sof(H30U)=
 Sof(H30V)=Sof(C310)=Sof(H31A)=Sof(H31B)=Sof(H31C)=Sof(C311)=Sof(H31D)=
 Sof(H31E)=Sof(C312)=Sof(H31F)=Sof(H31G)=Sof(H31H)=FVAR(1)
 Sof(P401)=Sof(P402)=Sof(P403)=Sof(O401)=Sof(O402)=Sof(O403)=Sof(O404)=
 Sof(O405)=Sof(O406)=Sof(O407)=Sof(O408)=Sof(O409)=Sof(C401)=Sof(H40A)=
 Sof(H40B)=Sof(C402)=Sof(H40C)=Sof(H40D)=Sof(H40E)=Sof(C403)=Sof(H40F)=
 Sof(H40G)=Sof(C404)=Sof(H40H)=Sof(H40I)=Sof(H40J)=Sof(C405)=Sof(H40K)=
 Sof(H40L)=Sof(C406)=Sof(H40M)=Sof(H40N)=Sof(H40O)=Sof(C407)=Sof(H40P)=
 Sof(H40Q)=Sof(C408)=Sof(H40R)=Sof(H40S)=Sof(H40T)=Sof(C409)=Sof(H40U)=
 Sof(H40V)=Sof(C410)=Sof(H41A)=Sof(H41B)=Sof(H41C)=Sof(C411)=Sof(H41D)=
 Sof(H41E)=Sof(C412)=Sof(H41F)=Sof(H41G)=Sof(H41H)=1-FVAR(2)
 Sof(P101)=Sof(P102)=Sof(P103)=Sof(O101)=Sof(O102)=Sof(O103)=Sof(O104)=
 Sof(O105)=Sof(O106)=Sof(O107)=Sof(O108)=Sof(O109)=Sof(C101)=Sof(H10A)=
 Sof(H10B)=Sof(C102)=Sof(H10C)=Sof(H10D)=Sof(H10E)=Sof(C103)=Sof(H10F)=
 Sof(H10G)=Sof(C104)=Sof(H10H)=Sof(H10I)=Sof(H10J)=Sof(C105)=Sof(H10K)=
 Sof(H10L)=Sof(C106)=Sof(H10M)=Sof(H10N)=Sof(H10O)=Sof(C107)=Sof(H10P)=
 Sof(H10Q)=Sof(C108)=Sof(H10R)=Sof(H10S)=Sof(H10T)=Sof(C109)=Sof(H10U)=
 Sof(H10V)=Sof(C110)=Sof(H11A)=Sof(H11B)=Sof(H11C)=Sof(C111)=Sof(H11D)=
 Sof(H11E)=Sof(C112)=Sof(H11F)=Sof(H11G)=Sof(H11H)=FVAR(2)
 Sof(Si2A)=Sof(N6A)=Sof(C63A)=Sof(H63C)=Sof(H63D)=Sof(C64A)=Sof(H64C)=
 Sof(H64D)=Sof(C65A)=Sof(H65C)=Sof(H65D)=Sof(C66A)=Sof(C67A)=Sof(H67A)=
 Sof(C68A)=Sof(H68D)=Sof(H68E)=Sof(H68F)=Sof(C69A)=Sof(H69D)=Sof(H69E)=
 Sof(H69F)=Sof(C70A)=Sof(H70A)=Sof(C71A)=Sof(H71D)=Sof(H71E)=Sof(H71F)=
 Sof(C72A)=Sof(H72D)=Sof(H72E)=Sof(H72F)=FVAR(3)
 Sof(Si2)=Sof(N6)=Sof(C63)=Sof(H63A)=Sof(H63B)=Sof(C64)=Sof(H64A)=Sof(H64B)=
 Sof(C65)=Sof(H65A)=Sof(H65B)=Sof(C66)=Sof(C67)=Sof(H67)=Sof(C68)=Sof(H68A)=
 Sof(H68B)=Sof(H68C)=Sof(C69)=Sof(H69A)=Sof(H69B)=Sof(H69C)=Sof(C70)=Sof(H70)=
 Sof(C71)=Sof(H71A)=Sof(H71B)=Sof(H71C)=Sof(C72)=Sof(H72A)=Sof(H72B)=Sof(H72C)=
 FVAR(4)
 Sof(Si2B)=Sof(N6B)=Sof(C63B)=Sof(H63E)=Sof(H63F)=Sof(C64B)=Sof(H64E)=
 Sof(H64F)=Sof(C65B)=Sof(H65E)=Sof(H65F)=Sof(C66B)=Sof(C67B)=Sof(H67B)=
 Sof(C68B)=Sof(H68G)=Sof(H68H)=Sof(H68I)=Sof(C69B)=Sof(H69G)=Sof(H69H)=
 Sof(H69I)=Sof(C70B)=Sof(H70B)=Sof(C71B)=Sof(H71G)=Sof(H71H)=Sof(H71I)=
 Sof(C72B)=Sof(H72G)=Sof(H72H)=Sof(H72I)=FVAR(5)
7.a Ternary CH refined with riding coordinates:
 C57(H57), C60(H60), C67(H67), C70(H70), C257(H257), C260(H260), C267(H267),
 C270(H270), C67A(H67A), C70A(H70A), C67B(H67B), C70B(H70B)
7.b Secondary CH2 refined with riding coordinates:
 C53(H53A,H53B), C54(H54A,H54B), C55(H55A,H55B), C63(H63A,H63B), C64(H64A,
 H64B), C65(H65A,H65B), C101(H10A,H10B), C103(H10F,H10G), C105(H10K,H10L),
 C107(H10P,H10Q), C109(H10U,H10V), C111(H11D,H11E), C401(H40A,H40B), C403(H40F,
 H40G), C405(H40K,H40L), C407(H40P,H40Q), C409(H40U,H40V), C411(H41D,H41E),
 C253(H25J,H25K), C254(H25L,H25M), C255(H25N,H25O), C263(H26G,H26H), C264(H26I,
 H26J), C265(H26K,H26L), C301(H30A,H30B), C303(H30F,H30G), C305(H30K,H30L),
 C307(H30P,H30Q), C309(H30U,H30V), C311(H31D,H31E), C501(H50D,H50E), C503(H50I,
 H50J), C505(H50N,H50O), C507(H50S,H50T), C509(H50X,H50Y), C511(H51G,H51H),
 C63A(H63C,H63D), C64A(H64C,H64D), C65A(H65C,H65D), C63B(H63E,H63F), C64B(H64E,
 H64F), C65B(H65E,H65F)
7.c Me refined with riding coordinates:
 C32(H32A,H32B,H32C), C33(H33A,H33B,H33C), C34(H34A,H34B,H34C), C36(H36A,H36B,
 H36C), C37(H37A,H37B,H37C), C38(H38A,H38B,H38C), C46(H46A,H46B,H46C), C47(H47A,
 H47B,H47C), C48(H48A,H48B,H48C), C50(H50A,H50B,H50C), C51(H51A,H51B,H51C),
 C52(H52A,H52B,H52C), C58(H58A,H58B,H58C), C59(H59A,H59B,H59C), C61(H61A,H61B,
 H61C), C62(H62A,H62B,H62C), C68(H68A,H68B,H68C), C69(H69A,H69B,H69C), C71(H71A,
 H71B,H71C), C72(H72A,H72B,H72C), C102(H10C,H10D,H10E), C104(H10H,H10I,H10J),
 C106(H10M,H10N,H10O), C108(H10R,H10S,H10T), C110(H11A,H11B,H11C), C112(H11F,
 H11G,H11H), C402(H40C,H40D,H40E), C404(H40H,H40I,H40J), C406(H40M,H40N,H40O),
 C408(H40R,H40S,H40T), C410(H41A,H41B,H41C), C412(H41F,H41G,H41H), C232(H23A,
 H23B,H23C), C233(H23D,H23E,H23F), C234(H23G,H23H,H23I), C236(H23J,H23K,H23L),
 C237(H23M,H23N,H23O), C238(H23P,H23Q,H23R), C246(H24A,H24B,H24C), C247(H24D,
 H24E,H24F), C248(H24G,H24H,H24I), C250(H25A,H25B,H25C), C251(H25D,H25E,H25F),
 C252(H25G,H25H,H25I), C258(H25P,H25Q,H25R), C259(H25S,H25T,H25U), C261(H26A,
 H26B,H26C), C262(H26D,H26E,H26F), C268(H26M,H26N,H26O), C269(H26P,H26Q,H26R),
 C271(H27A,H27B,H27C), C272(H27D,H27E,H27F), C302(H30C,H30D,H30E), C304(H30H,
 H30I,H30J), C306(H30M,H30N,H30O), C308(H30R,H30S,H30T), C310(H31A,H31B,H31C),
 C312(H31F,H31G,H31H), C502(H50F,H50G,H50H), C504(H50K,H50L,H50M), C506(H50P,
 H50Q,H50R), C508(H50U,H50V,H50W), C510(H51D,H51E,H51F), C512(H51I,H51J,H51K),
 C68A(H68D,H68E,H68F), C69A(H69D,H69E,H69F), C71A(H71D,H71E,H71F), C72A(H72D,
 H72E,H72F), C68B(H68G,H68H,H68I), C69B(H69G,H69H,H69I), C71B(H71G,H71H,H71I),
 C72B(H72G,H72H,H72I)
7.d Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C7(H7), C8(H8), C12(H12), C13(H13), C17(H17), C18(H18),
 C26(H26), C28(H28), C30(H30), C40(H40), C42(H42), C44(H44), C121(H121),
 C122(H122), C123(H123), C124(H124), C125(H125), C202(H202), C203(H203),
 C207(H207), C208(H208), C212(H212), C213(H213), C217(H217), C218(H218),
 C226(H226), C228(H228), C230(H230), C240(H240), C242(H242), C244(H244),
 C321(H321), C322(H322), C323(H323), C324(H324), C325(H325)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.53170(2) -0.29984(2) 0.77011(2) 0.02049(7) Uani 1 1 d . U . . .
Co1 Co 0.52672(5) -0.35494(3) 0.94562(3) 0.02905(18) Uani 1 1 d . U . . .
Si1 Si 0.34022(13) -0.55820(7) 0.65976(9) 0.0438(5) Uani 1 1 d D U . . .
Si2 Si 0.7253(7) 0.0185(4) 0.7313(4) 0.0535(17) Uani 0.407(3) 1 d D U P A 1
N1 N 0.4212(3) -0.31163(18) 0.71318(19) 0.0214(9) Uani 1 1 d D U . . .
N2 N 0.4844(2) -0.20050(18) 0.71999(18) 0.0198(9) Uani 1 1 d D U . . .
N3 N 0.6525(3) -0.25452(19) 0.7268(2) 0.0231(9) Uani 1 1 d D U . . .
N4 N 0.5898(3) -0.36694(18) 0.72202(19) 0.0224(9) Uani 1 1 d D U . . .
N5 N 0.2301(6) -0.5709(4) 0.8972(4) 0.093(3) Uani 1 1 d D U . . .
N6 N 0.5541(15) -0.0236(10) 0.5347(11) 0.104(4) Uani 0.407(3) 1 d D U P A 1
C1 C 0.4045(3) -0.3647(2) 0.7035(2) 0.0241(11) Uani 1 1 d D U . . .
C2 C 0.3186(3) -0.3636(3) 0.6881(3) 0.0326(13) Uani 1 1 d D U . . .
H2 H 0.2913 -0.3948 0.6794 0.039 Uiso 1 1 calc R . . . .
C3 C 0.2847(3) -0.3100(2) 0.6885(3) 0.0307(13) Uani 1 1 d D U . . .
H3 H 0.2287 -0.2965 0.6803 0.037 Uiso 1 1 calc R . . . .
C4 C 0.3486(3) -0.2765(2) 0.7036(2) 0.0229(11) Uani 1 1 d D U . . .
C5 C 0.3393(3) -0.2167(2) 0.7046(2) 0.0235(11) Uani 1 1 d D U . . .
C6 C 0.4028(3) -0.1809(2) 0.7115(2) 0.0224(10) Uani 1 1 d D U . . .
C7 C 0.3936(3) -0.1191(2) 0.7097(2) 0.0281(12) Uani 1 1 d D U . . .
H7 H 0.3434 -0.0953 0.7044 0.034 Uiso 1 1 calc R . . . .
C8 C 0.4693(3) -0.1010(2) 0.7169(3) 0.0289(12) Uani 1 1 d D U . . .
H8 H 0.4827 -0.0623 0.7180 0.035 Uiso 1 1 calc R . . . .
C9 C 0.5261(3) -0.1522(2) 0.7226(2) 0.0217(10) Uani 1 1 d D U . . .
C10 C 0.6124(3) -0.1516(2) 0.7271(2) 0.0259(11) Uani 1 1 d D U . . .
C11 C 0.6715(3) -0.1976(2) 0.7257(2) 0.0238(11) Uani 1 1 d D U . . .
C12 C 0.7589(3) -0.1914(2) 0.7206(3) 0.0288(12) Uani 1 1 d D U . . .
H12 H 0.7876 -0.1568 0.7199 0.035 Uiso 1 1 calc R . . . .
C13 C 0.7927(3) -0.2442(2) 0.7171(2) 0.0286(12) Uani 1 1 d D U . . .
H13 H 0.8498 -0.2534 0.7130 0.034 Uiso 1 1 calc R . . . .
C14 C 0.7267(3) -0.2840(2) 0.7207(2) 0.0241(11) Uani 1 1 d D U . . .
C15 C 0.7371(3) -0.3438(2) 0.7187(2) 0.0241(11) Uani 1 1 d D U . . .
C16 C 0.6738(3) -0.3826(2) 0.7200(2) 0.0229(10) Uani 1 1 d D U . . .
C17 C 0.6828(4) -0.4417(2) 0.7133(3) 0.0304(12) Uani 1 1 d D U . . .
H17 H 0.7336 -0.4634 0.7116 0.036 Uiso 1 1 calc R . . . .
C18 C 0.6062(3) -0.4608(2) 0.7098(2) 0.0285(12) Uani 1 1 d D U . . .
H18 H 0.5930 -0.4984 0.7055 0.034 Uiso 1 1 calc R . . . .
C19 C 0.5482(3) -0.4132(2) 0.7137(2) 0.0238(11) Uani 1 1 d D U . . .
C20 C 0.4627(3) -0.4120(2) 0.7048(2) 0.0268(11) Uani 1 1 d D U . . .
C21 C 0.4305(4) -0.4627(2) 0.6913(3) 0.0312(13) Uani 1 1 d D U . . .
C22 C 0.3985(4) -0.5017(3) 0.6785(3) 0.0387(15) Uani 1 1 d D U . . .
C23 C 0.6459(3) -0.0962(2) 0.7297(3) 0.0340(14) Uani 1 1 d D U . . .
C24 C 0.6745(4) -0.0503(3) 0.7316(4) 0.0490(17) Uani 1 1 d D U . . .
C25 C 0.2534(3) -0.1886(2) 0.6935(2) 0.0242(11) Uani 1 1 d D U . . .
C26 C 0.1908(3) -0.2092(2) 0.7307(2) 0.0256(11) Uani 1 1 d D U . . .
H26 H 0.2038 -0.2381 0.7643 0.031 Uiso 1 1 calc R . . . .
C27 C 0.1089(3) -0.1879(2) 0.7193(3) 0.0298(11) Uani 1 1 d D U . . .
C28 C 0.0922(3) -0.1461(3) 0.6699(3) 0.0335(12) Uani 1 1 d D U . . .
H28 H 0.0365 -0.1323 0.6614 0.040 Uiso 1 1 calc R . . . .
C29 C 0.1531(3) -0.1233(3) 0.6320(2) 0.0312(12) Uani 1 1 d D U . . .
C30 C 0.2342(3) -0.1455(2) 0.6449(2) 0.0278(11) Uani 1 1 d D U . . .
H30 H 0.2772 -0.1308 0.6199 0.033 Uiso 1 1 calc R . . . .
C31 C 0.0417(3) -0.2136(3) 0.7610(3) 0.0366(13) Uani 1 1 d D U . . .
C32 C 0.0704(4) -0.2185(4) 0.8188(3) 0.0539(19) Uani 1 1 d D U . . .
H32A H 0.0267 -0.2350 0.8448 0.081 Uiso 1 1 calc R . . . .
H32B H 0.1204 -0.2449 0.8272 0.081 Uiso 1 1 calc R . . . .
H32C H 0.0824 -0.1789 0.8218 0.081 Uiso 1 1 calc R . . . .
C33 C 0.0241(4) -0.2764(3) 0.7568(3) 0.0454(17) Uani 1 1 d D U . . .
H33A H 0.0056 -0.2737 0.7197 0.068 Uiso 1 1 calc R . . . .
H33B H 0.0746 -0.3022 0.7652 0.068 Uiso 1 1 calc R . . . .
H33C H -0.0192 -0.2932 0.7830 0.068 Uiso 1 1 calc R . . . .
C34 C -0.0383(4) -0.1736(3) 0.7503(3) 0.0449(17) Uani 1 1 d D U . . .
H34A H -0.0581 -0.1697 0.7132 0.067 Uiso 1 1 calc R . . . .
H34B H -0.0804 -0.1916 0.7768 0.067 Uiso 1 1 calc R . . . .
H34C H -0.0271 -0.1341 0.7540 0.067 Uiso 1 1 calc R . . . .
C35 C 0.1323(4) -0.0785(3) 0.5770(3) 0.0413(14) Uani 1 1 d D U . . .
C36 C 0.1062(7) -0.1121(4) 0.5374(3) 0.073(3) Uani 1 1 d D U . . .
H36A H 0.0595 -0.1363 0.5527 0.110 Uiso 1 1 calc R . . . .
H36B H 0.0897 -0.0836 0.5025 0.110 Uiso 1 1 calc R . . . .
H36C H 0.1526 -0.1381 0.5313 0.110 Uiso 1 1 calc R . . . .
C37 C 0.0620(5) -0.0344(4) 0.5815(3) 0.058(2) Uani 1 1 d D U . . .
H37A H 0.0776 -0.0122 0.6070 0.087 Uiso 1 1 calc R . . . .
H37B H 0.0505 -0.0066 0.5455 0.087 Uiso 1 1 calc R . . . .
H37C H 0.0123 -0.0561 0.5951 0.087 Uiso 1 1 calc R . . . .
C38 C 0.2048(6) -0.0405(5) 0.5543(4) 0.092(3) Uani 1 1 d D U . . .
H38A H 0.2207 -0.0192 0.5804 0.137 Uiso 1 1 calc R . . . .
H38B H 0.2517 -0.0662 0.5483 0.137 Uiso 1 1 calc R . . . .
H38C H 0.1888 -0.0117 0.5196 0.137 Uiso 1 1 calc R . . . .
C39 C 0.8239(3) -0.3659(2) 0.7097(2) 0.0260(11) Uani 1 1 d D U . . .
C40 C 0.8656(3) -0.3388(3) 0.6619(2) 0.0269(11) Uani 1 1 d D U . . .
H40 H 0.8381 -0.3075 0.6348 0.032 Uiso 1 1 calc R . . . .
C41 C 0.9468(3) -0.3566(3) 0.6527(2) 0.0297(11) Uani 1 1 d D U . . .
C42 C 0.9843(3) -0.4039(3) 0.6925(2) 0.0324(12) Uani 1 1 d D U . . .
H42 H 1.0391 -0.4171 0.6866 0.039 Uiso 1 1 calc R . . . .
C43 C 0.9442(4) -0.4325(3) 0.7409(3) 0.0360(13) Uani 1 1 d D U . . .
C44 C 0.8635(3) -0.4125(2) 0.7486(2) 0.0288(12) Uani 1 1 d D U . . .
H44 H 0.8351 -0.4313 0.7812 0.035 Uiso 1 1 calc R . . . .
C45 C 0.9946(4) -0.3270(3) 0.6003(3) 0.0370(13) Uani 1 1 d D U . . .
C46 C 1.0131(5) -0.3723(3) 0.5678(3) 0.0471(17) Uani 1 1 d D U . . .
H46A H 0.9610 -0.3864 0.5581 0.071 Uiso 1 1 calc R . . . .
H46B H 1.0432 -0.3533 0.5344 0.071 Uiso 1 1 calc R . . . .
H46C H 1.0468 -0.4062 0.5901 0.071 Uiso 1 1 calc R . . . .
C47 C 1.0757(4) -0.3050(4) 0.6155(3) 0.058(2) Uani 1 1 d D U . . .
H47A H 1.1081 -0.3385 0.6395 0.087 Uiso 1 1 calc R . . . .
H47B H 1.1072 -0.2880 0.5823 0.087 Uiso 1 1 calc R . . . .
H47C H 1.0637 -0.2745 0.6346 0.087 Uiso 1 1 calc R . . . .
C48 C 0.9460(5) -0.2736(3) 0.5631(3) 0.0550(19) Uani 1 1 d D U . . .
H48A H 0.8935 -0.2865 0.5527 0.083 Uiso 1 1 calc R . . . .
H48B H 0.9348 -0.2432 0.5825 0.083 Uiso 1 1 calc R . . . .
H48C H 0.9784 -0.2567 0.5301 0.083 Uiso 1 1 calc R . . . .
C49 C 0.9908(4) -0.4838(3) 0.7830(3) 0.0483(16) Uani 1 1 d D U . . .
C50 C 1.0202(6) -0.5331(4) 0.7573(4) 0.074(2) Uani 1 1 d D U . . .
H50A H 1.0548 -0.5162 0.7255 0.111 Uiso 1 1 calc R . . . .
H50B H 1.0525 -0.5641 0.7842 0.111 Uiso 1 1 calc R . . . .
H50C H 0.9722 -0.5504 0.7458 0.111 Uiso 1 1 calc R . . . .
C51 C 0.9391(6) -0.5115(5) 0.8307(4) 0.104(4) Uani 1 1 d D U . . .
H51A H 0.8901 -0.5268 0.8183 0.156 Uiso 1 1 calc R . . . .
H51B H 0.9711 -0.5444 0.8558 0.156 Uiso 1 1 calc R . . . .
H51C H 0.9221 -0.4816 0.8496 0.156 Uiso 1 1 calc R . . . .
C52 C 1.0677(5) -0.4597(4) 0.8018(4) 0.075(3) Uani 1 1 d D U . . .
H52A H 1.1015 -0.4414 0.7700 0.113 Uiso 1 1 calc R . . . .
H52B H 1.0509 -0.4297 0.8206 0.113 Uiso 1 1 calc R . . . .
H52C H 1.0999 -0.4925 0.8268 0.113 Uiso 1 1 calc R . . . .
C53 C 0.3144(7) -0.6140(4) 0.7250(4) 0.087(3) Uani 1 1 d D U . . .
H53A H 0.2770 -0.6428 0.7172 0.104 Uiso 1 1 calc R . . . .
H53B H 0.3656 -0.6363 0.7415 0.104 Uiso 1 1 calc R . . . .
C54 C 0.2719(9) -0.5838(6) 0.7664(5) 0.121(4) Uani 1 1 d D U . . .
H54A H 0.2916 -0.5430 0.7589 0.145 Uiso 1 1 calc R . . . .
H54B H 0.2116 -0.5800 0.7592 0.145 Uiso 1 1 calc R . . . .
C55 C 0.2839(10) -0.6114(6) 0.8197(5) 0.128(4) Uani 1 1 d D U . . .
H55A H 0.3445 -0.6164 0.8256 0.154 Uiso 1 1 calc R . . . .
H55B H 0.2634 -0.6520 0.8263 0.154 Uiso 1 1 calc R . . . .
C56 C 0.2496(7) -0.5874(5) 0.8626(5) 0.083(3) Uani 1 1 d D U . . .
C57 C 0.4092(6) -0.5938(4) 0.6171(4) 0.076(2) Uani 1 1 d D U . . .
H57 H 0.3831 -0.6311 0.6157 0.091 Uiso 1 1 calc R . . . .
C58 C 0.4926(6) -0.6121(4) 0.6425(4) 0.083(3) Uani 1 1 d D U . . .
H58A H 0.4862 -0.6362 0.6804 0.124 Uiso 1 1 calc R . . . .
H58B H 0.5238 -0.6357 0.6219 0.124 Uiso 1 1 calc R . . . .
H58C H 0.5224 -0.5766 0.6418 0.124 Uiso 1 1 calc R . . . .
C59 C 0.4189(11) -0.5566(6) 0.5584(5) 0.151(6) Uani 1 1 d D U . . .
H59A H 0.3642 -0.5446 0.5418 0.226 Uiso 1 1 calc R . . . .
H59B H 0.4487 -0.5210 0.5577 0.226 Uiso 1 1 calc R . . . .
H59C H 0.4501 -0.5802 0.5378 0.226 Uiso 1 1 calc R . . . .
C60 C 0.2414(6) -0.5179(4) 0.6279(5) 0.099(3) Uani 1 1 d D U . . .
H60 H 0.2170 -0.5042 0.6588 0.119 Uiso 1 1 calc R . . . .
C61 C 0.2496(6) -0.4608(4) 0.5860(5) 0.085(3) Uani 1 1 d D U . . .
H61A H 0.2935 -0.4390 0.5967 0.128 Uiso 1 1 calc R . . . .
H61B H 0.2635 -0.4682 0.5509 0.128 Uiso 1 1 calc R . . . .
H61C H 0.1973 -0.4370 0.5826 0.128 Uiso 1 1 calc R . . . .
C62 C 0.1775(7) -0.5588(6) 0.6199(6) 0.123(5) Uani 1 1 d D U . . .
H62A H 0.1792 -0.5948 0.6509 0.185 Uiso 1 1 calc R . . . .
H62B H 0.1226 -0.5385 0.6177 0.185 Uiso 1 1 calc R . . . .
H62C H 0.1889 -0.5697 0.5860 0.185 Uiso 1 1 calc R . . . .
C63 C 0.7734(17) 0.0414(12) 0.6582(7) 0.098(4) Uani 0.407(3) 1 d D U P A 1
H63A H 0.7495 0.0817 0.6396 0.117 Uiso 0.407(3) 1 calc R . P A 1
H63B H 0.8331 0.0456 0.6630 0.117 Uiso 0.407(3) 1 calc R . P A 1
C64 C 0.7663(17) 0.0021(13) 0.6163(10) 0.113(5) Uani 0.407(3) 1 d D U P A 1
H64A H 0.8190 0.0058 0.5958 0.136 Uiso 0.407(3) 1 calc R . P A 1
H64B H 0.7658 -0.0398 0.6390 0.136 Uiso 0.407(3) 1 calc R . P A 1
C65 C 0.6963(14) 0.0098(9) 0.5728(9) 0.104(4) Uani 0.407(3) 1 d D U P A 1
H65A H 0.6787 0.0515 0.5706 0.125 Uiso 0.407(3) 1 calc R . P A 1
H65B H 0.7325 0.0135 0.5405 0.125 Uiso 0.407(3) 1 calc R . P A 1
C66 C 0.6169(15) -0.0067(10) 0.5476(13) 0.104(4) Uani 0.407(3) 1 d D U P A 1
C67 C 0.6415(12) 0.0695(8) 0.7483(9) 0.060(4) Uani 0.407(3) 1 d D U P A 1
H67 H 0.6168 0.0452 0.7830 0.073 Uiso 0.407(3) 1 calc R . P A 1
C68 C 0.5705(14) 0.0834(12) 0.7073(11) 0.064(7) Uani 0.407(3) 1 d D U P A 1
H68A H 0.5534 0.0463 0.7010 0.096 Uiso 0.407(3) 1 calc R . P A 1
H68B H 0.5239 0.1026 0.7219 0.096 Uiso 0.407(3) 1 calc R . P A 1
H68C H 0.5887 0.1102 0.6728 0.096 Uiso 0.407(3) 1 calc R . P A 1
C69 C 0.6777(17) 0.1229(11) 0.7638(16) 0.063(6) Uani 0.407(3) 1 d D U P A 1
H69A H 0.7227 0.1082 0.7902 0.094 Uiso 0.407(3) 1 calc R . P A 1
H69B H 0.6991 0.1509 0.7309 0.094 Uiso 0.407(3) 1 calc R . P A 1
H69C H 0.6342 0.1433 0.7800 0.094 Uiso 0.407(3) 1 calc R . P A 1
C70 C 0.8045(12) -0.0043(10) 0.7869(8) 0.070(4) Uani 0.407(3) 1 d D U P A 1
H70 H 0.8443 0.0279 0.7828 0.083 Uiso 0.407(3) 1 calc R . P A 1
C71 C 0.8481(14) -0.0604(9) 0.7979(11) 0.079(6) Uani 0.407(3) 1 d D U P A 1
H71A H 0.8807 -0.0627 0.7658 0.118 Uiso 0.407(3) 1 calc R . P A 1
H71B H 0.8851 -0.0654 0.8292 0.118 Uiso 0.407(3) 1 calc R . P A 1
H71C H 0.8087 -0.0921 0.8064 0.118 Uiso 0.407(3) 1 calc R . P A 1
C72 C 0.764(2) -0.0174(16) 0.8432(9) 0.098(7) Uani 0.407(3) 1 d D U P A 1
H72A H 0.7285 0.0171 0.8454 0.147 Uiso 0.407(3) 1 calc R . P A 1
H72B H 0.7303 -0.0523 0.8487 0.147 Uiso 0.407(3) 1 calc R . P A 1
H72C H 0.8067 -0.0255 0.8715 0.147 Uiso 0.407(3) 1 calc R . P A 1
C121 C 0.5724(5) -0.4145(3) 1.0178(3) 0.0444(15) Uani 1 1 d . U . . .
H121 H 0.6133 -0.4457 1.0200 0.053 Uiso 1 1 calc R . . . .
C122 C 0.4865(4) -0.4186(3) 1.0141(3) 0.0403(14) Uani 1 1 d . U . . .
H122 H 0.4592 -0.4533 1.0133 0.048 Uiso 1 1 calc R . . . .
C123 C 0.4475(5) -0.3622(3) 1.0119(3) 0.0418(14) Uani 1 1 d . U . . .
H123 H 0.3898 -0.3524 1.0093 0.050 Uiso 1 1 calc R . . . .
C124 C 0.5101(5) -0.3234(3) 1.0143(3) 0.0448(15) Uani 1 1 d . U . . .
H124 H 0.5018 -0.2827 1.0136 0.054 Uiso 1 1 calc R . . . .
C125 C 0.5869(5) -0.3552(3) 1.0178(3) 0.0449(15) Uani 1 1 d . U . . .
H125 H 0.6394 -0.3397 1.0199 0.054 Uiso 1 1 calc R . . . .
P101 P 0.44517(10) -0.38551(7) 0.89391(7) 0.0265(4) Uani 0.896(2) 1 d D U P B 1
P102 P 0.52012(11) -0.26355(7) 0.89658(7) 0.0270(4) Uani 0.896(2) 1 d D U P B 1
P103 P 0.63163(10) -0.37453(8) 0.89810(7) 0.0287(4) Uani 0.896(2) 1 d D U P B 1
O101 O 0.4421(3) -0.35403(19) 0.83303(18) 0.0276(9) Uani 0.896(2) 1 d D U P B 1
O102 O 0.5334(3) -0.24844(18) 0.83582(18) 0.0283(10) Uani 0.896(2) 1 d D U P B
1
O103 O 0.6237(3) -0.35889(19) 0.83682(17) 0.0253(9) Uani 0.896(2) 1 d D U P B 1
O104 O 0.4628(3) -0.4556(2) 0.9019(2) 0.0337(11) Uani 0.896(2) 1 d D U P B 1
O105 O 0.3549(3) -0.3843(2) 0.9184(2) 0.0382(12) Uani 0.896(2) 1 d D U P B 1
O106 O 0.4347(3) -0.2295(2) 0.9063(2) 0.0407(12) Uani 0.896(2) 1 d D U P B 1
O107 O 0.5831(6) -0.2299(3) 0.9229(3) 0.0438(14) Uani 0.896(2) 1 d D U P B 1
O108 O 0.7138(3) -0.3464(2) 0.9127(2) 0.0400(11) Uani 0.896(2) 1 d D U P B 1
O109 O 0.6576(3) -0.4444(2) 0.9212(2) 0.0376(13) Uani 0.896(2) 1 d D U P B 1
C101 C 0.4999(7) -0.4800(4) 0.8600(4) 0.055(2) Uani 0.896(2) 1 d D U P B 1
H10A H 0.5216 -0.4470 0.8306 0.067 Uiso 0.896(2) 1 calc R . P B 1
H10B H 0.5474 -0.5074 0.8762 0.067 Uiso 0.896(2) 1 calc R . P B 1
C102 C 0.4465(11) -0.5105(9) 0.8372(7) 0.086(4) Uani 0.896(2) 1 d D U P B 1
H10C H 0.4758 -0.5256 0.8095 0.129 Uiso 0.896(2) 1 calc R . P B 1
H10D H 0.4258 -0.5441 0.8658 0.129 Uiso 0.896(2) 1 calc R . P B 1
H10E H 0.3999 -0.4836 0.8202 0.129 Uiso 0.896(2) 1 calc R . P B 1
C103 C 0.2872(5) -0.4114(4) 0.8979(4) 0.051(2) Uani 0.896(2) 1 d D U P B 1
H10F H 0.2466 -0.4251 0.9275 0.061 Uiso 0.896(2) 1 calc R . P B 1
H10G H 0.3095 -0.4467 0.8871 0.061 Uiso 0.896(2) 1 calc R . P B 1
C104 C 0.2456(6) -0.3692(5) 0.8508(4) 0.071(3) Uani 0.896(2) 1 d D U P B 1
H10H H 0.2009 -0.3888 0.8382 0.107 Uiso 0.896(2) 1 calc R . P B 1
H10I H 0.2226 -0.3346 0.8616 0.107 Uiso 0.896(2) 1 calc R . P B 1
H10J H 0.2855 -0.3562 0.8212 0.107 Uiso 0.896(2) 1 calc R . P B 1
C105 C 0.3698(5) -0.2198(5) 0.8676(4) 0.058(2) Uani 0.896(2) 1 d D U P B 1
H10K H 0.3588 -0.2579 0.8598 0.069 Uiso 0.896(2) 1 calc R . P B 1
H10L H 0.3865 -0.1913 0.8331 0.069 Uiso 0.896(2) 1 calc R . P B 1
C106 C 0.2955(7) -0.1967(6) 0.8880(5) 0.088(3) Uani 0.896(2) 1 d D U P B 1
H10M H 0.2513 -0.1903 0.8608 0.132 Uiso 0.896(2) 1 calc R . P B 1
H10N H 0.2784 -0.2252 0.9220 0.132 Uiso 0.896(2) 1 calc R . P B 1
H10O H 0.3061 -0.1587 0.8953 0.132 Uiso 0.896(2) 1 calc R . P B 1
C107 C 0.5942(7) -0.1665(4) 0.8987(4) 0.060(3) Uani 0.896(2) 1 d D U P B 1
H10P H 0.5413 -0.1463 0.8830 0.073 Uiso 0.896(2) 1 calc R . P B 1
H10Q H 0.6356 -0.1610 0.8690 0.073 Uiso 0.896(2) 1 calc R . P B 1
C108 C 0.6224(8) -0.1406(5) 0.9411(5) 0.080(3) Uani 0.896(2) 1 d D U P B 1
H10R H 0.6300 -0.0979 0.9250 0.120 Uiso 0.896(2) 1 calc R . P B 1
H10S H 0.5810 -0.1459 0.9702 0.120 Uiso 0.896(2) 1 calc R . P B 1
H10T H 0.6750 -0.1605 0.9563 0.120 Uiso 0.896(2) 1 calc R . P B 1
C109 C 0.7517(6) -0.2972(5) 0.8748(5) 0.051(2) Uani 0.896(2) 1 d D U P B 1
H10U H 0.7678 -0.2683 0.8942 0.061 Uiso 0.896(2) 1 calc R . P B 1
H10V H 0.7114 -0.2767 0.8459 0.061 Uiso 0.896(2) 1 calc R . P B 1
C110 C 0.8239(6) -0.3180(5) 0.8501(4) 0.066(2) Uani 0.896(2) 1 d D U P B 1
H11A H 0.8489 -0.2840 0.8245 0.098 Uiso 0.896(2) 1 calc R . P B 1
H11B H 0.8641 -0.3379 0.8787 0.098 Uiso 0.896(2) 1 calc R . P B 1
H11C H 0.8077 -0.3462 0.8305 0.098 Uiso 0.896(2) 1 calc R . P B 1
C111 C 0.7225(6) -0.4717(4) 0.8939(4) 0.050(2) Uani 0.896(2) 1 d D U P B 1
H11D H 0.7726 -0.4483 0.8892 0.060 Uiso 0.896(2) 1 calc R . P B 1
H11E H 0.7033 -0.4724 0.8574 0.060 Uiso 0.896(2) 1 calc R . P B 1
C112 C 0.7414(6) -0.5327(4) 0.9282(4) 0.059(2) Uani 0.896(2) 1 d D U P B 1
H11F H 0.7847 -0.5518 0.9108 0.089 Uiso 0.896(2) 1 calc R . P B 1
H11G H 0.7605 -0.5314 0.9642 0.089 Uiso 0.896(2) 1 calc R . P B 1
H11H H 0.6915 -0.5555 0.9325 0.089 Uiso 0.896(2) 1 calc R . P B 1
P401 P 0.4088(10) -0.3186(7) 0.8862(7) 0.045(4) Uiso 0.104(2) 1 d D U P B 2
P402 P 0.5916(10) -0.2812(7) 0.8933(7) 0.040(3) Uiso 0.104(2) 1 d D U P B 2
P403 P 0.5544(10) -0.4105(6) 0.8931(7) 0.038(3) Uiso 0.104(2) 1 d D U P B 2
O401 O 0.4187(18) -0.3079(15) 0.8258(9) 0.032(7) Uiso 0.104(2) 1 d D U P B 2
O402 O 0.577(2) -0.2578(14) 0.8334(10) 0.037(6) Uiso 0.104(2) 1 d D U P B 2
O403 O 0.575(2) -0.3816(12) 0.8335(10) 0.034(6) Uiso 0.104(2) 1 d D U P B 2
O404 O 0.345(2) -0.3691(18) 0.9111(18) 0.047(5) Uiso 0.104(2) 1 d D U P B 2
O405 O 0.362(3) -0.2632(13) 0.8995(16) 0.061(5) Uiso 0.104(2) 1 d D U P B 2
O406 O 0.589(4) -0.2259(19) 0.919(2) 0.050(5) Uiso 0.104(2) 1 d D U P B 2
O407 O 0.6822(15) -0.3076(16) 0.9094(15) 0.044(4) Uiso 0.104(2) 1 d D U P B 2
O408 O 0.632(2) -0.450(2) 0.9230(18) 0.045(4) Uiso 0.104(2) 1 d D U P B 2
O409 O 0.494(2) -0.4640(16) 0.8924(18) 0.043(4) Uiso 0.104(2) 1 d D U P B 2
C401 C 0.269(2) -0.379(2) 0.8866(17) 0.047(5) Uiso 0.104(2) 1 d D U P B 2
H40A H 0.2781 -0.4144 0.8731 0.056 Uiso 0.104(2) 1 calc R . P B 2
H40B H 0.2264 -0.3879 0.9155 0.056 Uiso 0.104(2) 1 calc R . P B 2
C402 C 0.238(3) -0.333(3) 0.844(3) 0.047(5) Uiso 0.104(2) 1 d D U P B 2
H40C H 0.1869 -0.3442 0.8309 0.071 Uiso 0.104(2) 1 calc R . P B 2
H40D H 0.2270 -0.2974 0.8571 0.071 Uiso 0.104(2) 1 calc R . P B 2
H40E H 0.2788 -0.3240 0.8146 0.071 Uiso 0.104(2) 1 calc R . P B 2
C403 C 0.331(4) -0.2112(17) 0.856(3) 0.061(5) Uiso 0.104(2) 1 d D U P B 2
H40F H 0.2746 -0.1983 0.8635 0.073 Uiso 0.104(2) 1 calc R . P B 2
H40G H 0.3312 -0.2211 0.8202 0.073 Uiso 0.104(2) 1 calc R . P B 2
C404 C 0.389(2) -0.1638(19) 0.854(3) 0.061(5) Uiso 0.104(2) 1 d D U P B 2
H40H H 0.3715 -0.1279 0.8247 0.091 Uiso 0.104(2) 1 calc R . P B 2
H40I H 0.3887 -0.1546 0.8888 0.091 Uiso 0.104(2) 1 calc R . P B 2
H40J H 0.4449 -0.1773 0.8458 0.091 Uiso 0.104(2) 1 calc R . P B 2
C405 C 0.621(6) -0.171(2) 0.891(3) 0.050(5) Uiso 0.104(2) 1 d D U P B 2
H40K H 0.5744 -0.1417 0.8761 0.060 Uiso 0.104(2) 1 calc R . P B 2
H40L H 0.6547 -0.1758 0.8599 0.060 Uiso 0.104(2) 1 calc R . P B 2
C406 C 0.671(4) -0.147(3) 0.926(3) 0.050(5) Uiso 0.104(2) 1 d D U P B 2
H40M H 0.6917 -0.1091 0.9052 0.074 Uiso 0.104(2) 1 calc R . P B 2
H40N H 0.6371 -0.1414 0.9566 0.074 Uiso 0.104(2) 1 calc R . P B 2
H40O H 0.7174 -0.1756 0.9404 0.074 Uiso 0.104(2) 1 calc R . P B 2
C407 C 0.749(4) -0.295(2) 0.870(4) 0.044(4) Uiso 0.104(2) 1 d D U P B 2
H40P H 0.7366 -0.3089 0.8371 0.053 Uiso 0.104(2) 1 calc R . P B 2
H40Q H 0.8021 -0.3153 0.8858 0.053 Uiso 0.104(2) 1 calc R . P B 2
C408 C 0.752(2) -0.230(2) 0.8552(11) 0.044(4) Uiso 0.104(2) 1 d D U P B 2
H40R H 0.7962 -0.2175 0.8282 0.067 Uiso 0.104(2) 1 calc R . P B 2
H40S H 0.6992 -0.2120 0.8398 0.067 Uiso 0.104(2) 1 calc R . P B 2
H40T H 0.7642 -0.2183 0.8881 0.067 Uiso 0.104(2) 1 calc R . P B 2
C409 C 0.712(2) -0.456(3) 0.901(3) 0.045(4) Uiso 0.104(2) 1 d D U P B 2
H40U H 0.7534 -0.4682 0.9309 0.054 Uiso 0.104(2) 1 calc R . P B 2
H40V H 0.7272 -0.4173 0.8764 0.054 Uiso 0.104(2) 1 calc R . P B 2
C410 C 0.716(4) -0.500(3) 0.870(3) 0.045(4) Uiso 0.104(2) 1 d D U P B 2
H41A H 0.7724 -0.5027 0.8558 0.067 Uiso 0.104(2) 1 calc R . P B 2
H41B H 0.7030 -0.5389 0.8945 0.067 Uiso 0.104(2) 1 calc R . P B 2
H41C H 0.6768 -0.4881 0.8400 0.067 Uiso 0.104(2) 1 calc R . P B 2
C411 C 0.514(3) -0.501(3) 0.854(3) 0.043(4) Uiso 0.104(2) 1 d D U P B 2
H41D H 0.5532 -0.4806 0.8256 0.052 Uiso 0.104(2) 1 calc R . P B 2
H41E H 0.5395 -0.5402 0.8741 0.052 Uiso 0.104(2) 1 calc R . P B 2
C412 C 0.436(5) -0.508(6) 0.829(5) 0.043(4) Uiso 0.104(2) 1 d D U P B 2
H41F H 0.4460 -0.5324 0.8032 0.065 Uiso 0.104(2) 1 calc R . P B 2
H41G H 0.3975 -0.5285 0.8573 0.065 Uiso 0.104(2) 1 calc R . P B 2
H41H H 0.4112 -0.4691 0.8091 0.065 Uiso 0.104(2) 1 calc R . P B 2
Dy21 Dy 0.20673(2) 0.20399(2) 0.74420(2) 0.02611(7) Uani 1 1 d . U . . .
Co21 Co 0.15476(6) 0.01995(4) 0.77754(4) 0.0404(2) Uani 1 1 d . U . . .
Si21 Si 0.45107(11) 0.23865(9) 0.46466(8) 0.0386(4) Uani 1 1 d D U . . .
Si22 Si -0.00104(19) 0.26799(14) 1.00803(11) 0.0751(8) Uani 1 1 d D U . . .
N201 N 0.3402(3) 0.23717(19) 0.71490(19) 0.0250(9) Uani 1 1 d D U . . .
N202 N 0.2581(3) 0.2397(2) 0.8162(2) 0.0294(10) Uani 1 1 d D U . . .
N203 N 0.1017(3) 0.2767(2) 0.75441(19) 0.0282(10) Uani 1 1 d D U . . .
N204 N 0.1834(3) 0.27032(19) 0.65498(19) 0.0244(9) Uani 1 1 d D U . . .
N205 N 0.1203(5) 0.1267(5) 0.4106(5) 0.121(4) Uani 1 1 d D U . . .
N206 N 0.0844(6) 0.5427(4) 0.9422(4) 0.095(3) Uani 1 1 d D U . . .
C201 C 0.3682(3) 0.2377(2) 0.6638(2) 0.0265(11) Uani 1 1 d D U . . .
C202 C 0.4571(3) 0.2297(3) 0.6642(3) 0.0328(13) Uani 1 1 d D U . . .
H202 H 0.4912 0.2276 0.6342 0.039 Uiso 1 1 calc R . . . .
C203 C 0.4823(4) 0.2259(3) 0.7150(3) 0.0353(13) Uani 1 1 d D U . . .
H203 H 0.5380 0.2213 0.7273 0.042 Uiso 1 1 calc R . . . .
C204 C 0.4095(3) 0.2301(2) 0.7479(2) 0.0282(11) Uani 1 1 d D U . . .
C205 C 0.4089(3) 0.2292(2) 0.8033(2) 0.0286(11) Uani 1 1 d D U . . .
C206 C 0.3388(3) 0.2339(2) 0.8346(2) 0.0294(11) Uani 1 1 d D U . . .
C207 C 0.3388(4) 0.2370(3) 0.8907(3) 0.0384(14) Uani 1 1 d D U . . .
H207 H 0.3859 0.2341 0.9133 0.046 Uiso 1 1 calc R . . . .
C208 C 0.2596(4) 0.2447(3) 0.9045(3) 0.0444(16) Uani 1 1 d D U . . .
H208 H 0.2403 0.2478 0.9391 0.053 Uiso 1 1 calc R . . . .
C209 C 0.2094(4) 0.2474(3) 0.8578(2) 0.0328(12) Uani 1 1 d D U . . .
C210 C 0.1228(4) 0.2616(3) 0.8529(2) 0.0342(13) Uani 1 1 d D U . . .
C211 C 0.0747(4) 0.2772(2) 0.8053(2) 0.0299(11) Uani 1 1 d D U . . .
C212 C -0.0106(4) 0.2986(3) 0.8021(3) 0.0336(13) Uani 1 1 d D U . . .
H212 H -0.0444 0.3025 0.8318 0.040 Uiso 1 1 calc R . . . .
C213 C -0.0336(4) 0.3120(3) 0.7496(3) 0.0345(13) Uani 1 1 d D U . . .
H213 H -0.0864 0.3277 0.7350 0.041 Uiso 1 1 calc R . . . .
C214 C 0.0366(3) 0.2983(2) 0.7194(2) 0.0290(11) Uani 1 1 d D U . . .
C215 C 0.0384(3) 0.3058(2) 0.6624(2) 0.0277(11) Uani 1 1 d D U . . .
C216 C 0.1079(3) 0.2935(2) 0.6329(2) 0.0286(11) Uani 1 1 d D U . . .
C217 C 0.1112(4) 0.3052(3) 0.5738(2) 0.0338(13) Uani 1 1 d D U . . .
H217 H 0.0676 0.3216 0.5487 0.041 Uiso 1 1 calc R . . . .
C218 C 0.1886(4) 0.2882(3) 0.5616(2) 0.0342(13) Uani 1 1 d D U . . .
H218 H 0.2093 0.2896 0.5262 0.041 Uiso 1 1 calc R . . . .
C219 C 0.2335(3) 0.2674(2) 0.6123(2) 0.0279(11) Uani 1 1 d D U . . .
C220 C 0.3184(3) 0.2488(2) 0.6167(2) 0.0270(11) Uani 1 1 d D U . . .
C221 C 0.3595(4) 0.2440(3) 0.5678(2) 0.0294(12) Uani 1 1 d D U . . .
C222 C 0.3943(4) 0.2381(3) 0.5278(2) 0.0351(13) Uani 1 1 d D U . . .
C223 C 0.0808(4) 0.2641(3) 0.9021(3) 0.0413(15) Uani 1 1 d D U . . .
C224 C 0.0454(5) 0.2657(4) 0.9434(3) 0.0513(18) Uani 1 1 d D U . . .
C225 C 0.4920(4) 0.2257(3) 0.8299(3) 0.0331(12) Uani 1 1 d D U . . .
C226 C 0.5441(4) 0.2724(3) 0.8118(3) 0.0394(14) Uani 1 1 d D U . . .
H226 H 0.5259 0.3061 0.7831 0.047 Uiso 1 1 calc R . . . .
C227 C 0.6225(4) 0.2715(3) 0.8344(3) 0.0498(17) Uani 1 1 d D U . . .
C228 C 0.6453(4) 0.2228(3) 0.8776(3) 0.0508(17) Uani 1 1 d D U . . .
H228 H 0.6976 0.2219 0.8943 0.061 Uiso 1 1 calc R . . . .
C229 C 0.5952(4) 0.1752(3) 0.8977(3) 0.0486(16) Uani 1 1 d D U . . .
C230 C 0.5181(4) 0.1771(3) 0.8731(3) 0.0388(14) Uani 1 1 d D U . . .
H230 H 0.4830 0.1448 0.8859 0.047 Uiso 1 1 calc R . . . .
C231 C 0.6779(5) 0.3243(4) 0.8114(4) 0.078(3) Uani 1 1 d D U . . .
C232 C 0.6982(7) 0.3278(6) 0.7521(5) 0.118(4) Uani 1 1 d D U . . .
H23A H 0.6468 0.3330 0.7310 0.177 Uiso 1 1 calc R . . . .
H23B H 0.7326 0.3617 0.7368 0.177 Uiso 1 1 calc R . . . .
H23C H 0.7282 0.2908 0.7503 0.177 Uiso 1 1 calc R . . . .
C233 C 0.7614(6) 0.3162(5) 0.8397(6) 0.116(4) Uani 1 1 d D U . . .
H23D H 0.7889 0.2784 0.8379 0.174 Uiso 1 1 calc R . . . .
H23E H 0.7957 0.3492 0.8215 0.174 Uiso 1 1 calc R . . . .
H23F H 0.7535 0.3156 0.8781 0.174 Uiso 1 1 calc R . . . .
C234 C 0.6331(7) 0.3824(4) 0.8133(6) 0.113(4) Uani 1 1 d D U . . .
H23G H 0.5796 0.3866 0.7948 0.169 Uiso 1 1 calc R . . . .
H23H H 0.6243 0.3823 0.8515 0.169 Uiso 1 1 calc R . . . .
H23I H 0.6665 0.4159 0.7949 0.169 Uiso 1 1 calc R . . . .
C235 C 0.6228(6) 0.1223(4) 0.9462(4) 0.074(2) Uani 1 1 d D U . . .
C236 C 0.7140(7) 0.1040(5) 0.9374(6) 0.127(4) Uani 1 1 d D U . . .
H23J H 0.7479 0.1386 0.9325 0.191 Uiso 1 1 calc R . . . .
H23K H 0.7337 0.0723 0.9694 0.191 Uiso 1 1 calc R . . . .
H23L H 0.7181 0.0896 0.9048 0.191 Uiso 1 1 calc R . . . .
C237 C 0.6274(9) 0.1424(6) 0.9972(4) 0.120(4) Uani 1 1 d D U . . .
H23M H 0.6612 0.1773 0.9902 0.180 Uiso 1 1 calc R . . . .
H23N H 0.5716 0.1529 1.0078 0.180 Uiso 1 1 calc R . . . .
H23O H 0.6524 0.1100 1.0267 0.180 Uiso 1 1 calc R . . . .
C238 C 0.5730(8) 0.0699(5) 0.9536(6) 0.126(5) Uani 1 1 d D U . . .
H23P H 0.5719 0.0586 0.9193 0.189 Uiso 1 1 calc R . . . .
H23Q H 0.5973 0.0367 0.9826 0.189 Uiso 1 1 calc R . . . .
H23R H 0.5165 0.0796 0.9637 0.189 Uiso 1 1 calc R . . . .
C239 C -0.0397(3) 0.3298(2) 0.6318(2) 0.0296(12) Uani 1 1 d D U . . .
C240 C -0.0681(4) 0.3884(2) 0.6256(3) 0.0342(13) Uani 1 1 d D U . . .
H240 H -0.0360 0.4137 0.6394 0.041 Uiso 1 1 calc R . . . .
C241 C -0.1430(4) 0.4107(3) 0.5994(3) 0.0375(14) Uani 1 1 d D U . . .
C242 C -0.1882(4) 0.3720(3) 0.5799(3) 0.0358(14) Uani 1 1 d D U . . .
H242 H -0.2396 0.3864 0.5624 0.043 Uiso 1 1 calc R . . . .
C243 C -0.1618(4) 0.3133(3) 0.5848(3) 0.0337(13) Uani 1 1 d D U . . .
C244 C -0.0867(4) 0.2930(3) 0.6109(3) 0.0318(13) Uani 1 1 d D U . . .
H244 H -0.0670 0.2530 0.6146 0.038 Uiso 1 1 calc R . . . .
C245 C -0.1740(5) 0.4757(3) 0.5915(3) 0.0539(18) Uani 1 1 d D U . . .
C246 C -0.1431(7) 0.5123(4) 0.5363(3) 0.079(3) Uani 1 1 d D U . . .
H24A H -0.1636 0.4964 0.5074 0.119 Uiso 1 1 calc R . . . .
H24B H -0.1633 0.5539 0.5298 0.119 Uiso 1 1 calc R . . . .
H24C H -0.0825 0.5100 0.5361 0.119 Uiso 1 1 calc R . . . .
C247 C -0.1410(5) 0.5016(3) 0.6356(3) 0.0515(19) Uani 1 1 d D U . . .
H24D H -0.1602 0.4786 0.6716 0.077 Uiso 1 1 calc R . . . .
H24E H -0.0804 0.4994 0.6349 0.077 Uiso 1 1 calc R . . . .
H24F H -0.1612 0.5433 0.6286 0.077 Uiso 1 1 calc R . . . .
C248 C -0.2690(5) 0.4816(4) 0.5939(5) 0.092(3) Uani 1 1 d D U . . .
H24G H -0.2880 0.4579 0.6297 0.138 Uiso 1 1 calc R . . . .
H24H H -0.2868 0.5235 0.5886 0.138 Uiso 1 1 calc R . . . .
H24I H -0.2927 0.4672 0.5651 0.138 Uiso 1 1 calc R . . . .
C249 C -0.2175(4) 0.2724(3) 0.5643(3) 0.0425(15) Uani 1 1 d D U . . .
C250 C -0.2470(4) 0.3039(3) 0.5062(3) 0.0483(17) Uani 1 1 d D U . . .
H25A H -0.1991 0.3128 0.4819 0.072 Uiso 1 1 calc R . . . .
H25B H -0.2828 0.2780 0.4935 0.072 Uiso 1 1 calc R . . . .
H25C H -0.2780 0.3411 0.5059 0.072 Uiso 1 1 calc R . . . .
C251 C -0.1719(5) 0.2144(3) 0.5626(4) 0.064(2) Uani 1 1 d D U . . .
H25D H -0.1242 0.2233 0.5382 0.096 Uiso 1 1 calc R . . . .
H25E H -0.1529 0.1925 0.5994 0.096 Uiso 1 1 calc R . . . .
H25F H -0.2092 0.1901 0.5490 0.096 Uiso 1 1 calc R . . . .
C252 C -0.2913(5) 0.2585(4) 0.6022(3) 0.061(2) Uani 1 1 d D U . . .
H25G H -0.3208 0.2958 0.6034 0.092 Uiso 1 1 calc R . . . .
H25H H -0.3286 0.2341 0.5886 0.092 Uiso 1 1 calc R . . . .
H25I H -0.2723 0.2366 0.6390 0.092 Uiso 1 1 calc R . . . .
C253 C 0.4022(5) 0.1848(4) 0.4332(4) 0.062(2) Uani 1 1 d D U . . .
H25J H 0.4223 0.1927 0.3950 0.074 Uiso 1 1 calc R . . . .
H25K H 0.4235 0.1441 0.4530 0.074 Uiso 1 1 calc R . . . .
C254 C 0.3069(5) 0.1842(4) 0.4317(4) 0.068(2) Uani 1 1 d D U . . .
H25L H 0.2845 0.1875 0.4672 0.082 Uiso 1 1 calc R . . . .
H25M H 0.2853 0.2194 0.4029 0.082 Uiso 1 1 calc R . . . .
C255 C 0.2775(5) 0.1303(4) 0.4213(5) 0.079(3) Uani 1 1 d D U . . .
H25N H 0.2989 0.0955 0.4507 0.095 Uiso 1 1 calc R . . . .
H25O H 0.3021 0.1267 0.3865 0.095 Uiso 1 1 calc R . . . .
C256 C 0.1873(6) 0.1268(5) 0.4179(6) 0.098(4) Uani 1 1 d D U . . .
C257 C 0.5600(4) 0.2094(3) 0.4853(3) 0.0459(16) Uani 1 1 d D U . . .
H257 H 0.5845 0.2384 0.5023 0.055 Uiso 1 1 calc R . . . .
C258 C 0.5660(6) 0.1504(4) 0.5270(4) 0.079(3) Uani 1 1 d D U . . .
H25P H 0.5317 0.1520 0.5586 0.119 Uiso 1 1 calc R . . . .
H25Q H 0.5464 0.1199 0.5112 0.119 Uiso 1 1 calc R . . . .
H25R H 0.6236 0.1405 0.5386 0.119 Uiso 1 1 calc R . . . .
C259 C 0.6129(5) 0.2088(5) 0.4349(4) 0.067(2) Uani 1 1 d D U . . .
H25S H 0.6079 0.2481 0.4082 0.100 Uiso 1 1 calc R . . . .
H25T H 0.6709 0.1993 0.4459 0.100 Uiso 1 1 calc R . . . .
H25U H 0.5937 0.1787 0.4185 0.100 Uiso 1 1 calc R . . . .
C260 C 0.4447(5) 0.3173(3) 0.4221(3) 0.0602(19) Uani 1 1 d D U . . .
H260 H 0.4600 0.3177 0.3838 0.072 Uiso 1 1 calc R . . . .
C261 C 0.5041(7) 0.3538(4) 0.4411(4) 0.082(3) Uani 1 1 d D U . . .
H26A H 0.5601 0.3357 0.4413 0.123 Uiso 1 1 calc R . . . .
H26B H 0.5020 0.3943 0.4163 0.123 Uiso 1 1 calc R . . . .
H26C H 0.4893 0.3554 0.4781 0.123 Uiso 1 1 calc R . . . .
C262 C 0.3561(6) 0.3437(4) 0.4209(4) 0.078(3) Uani 1 1 d D U . . .
H26D H 0.3187 0.3187 0.4083 0.117 Uiso 1 1 calc R . . . .
H26E H 0.3401 0.3452 0.4578 0.117 Uiso 1 1 calc R . . . .
H26F H 0.3529 0.3841 0.3960 0.117 Uiso 1 1 calc R . . . .
C263 C 0.0509(6) 0.3270(4) 1.0299(4) 0.064(2) Uani 1 1 d D U . . .
H26G H 0.0229 0.3326 1.0630 0.076 Uiso 1 1 calc R . . . .
H26H H 0.1089 0.3130 1.0400 0.076 Uiso 1 1 calc R . . . .
C264 C 0.0511(6) 0.3870(4) 0.9867(4) 0.064(2) Uani 1 1 d D U . . .
H26I H -0.0063 0.4042 0.9800 0.077 Uiso 1 1 calc R . . . .
H26J H 0.0732 0.3813 0.9520 0.077 Uiso 1 1 calc R . . . .
C265 C 0.1051(6) 0.4310(4) 1.0058(4) 0.071(2) Uani 1 1 d D U . . .
H26K H 0.0890 0.4303 1.0436 0.086 Uiso 1 1 calc R . . . .
H26L H 0.1637 0.4163 1.0068 0.086 Uiso 1 1 calc R . . . .
C266 C 0.0983(7) 0.4941(5) 0.9708(4) 0.078(3) Uani 1 1 d D U . . .
C267 C -0.1158(6) 0.2889(6) 0.9956(6) 0.130(4) Uani 1 1 d D U . . .
H267 H -0.1134 0.3180 0.9585 0.156 Uiso 1 1 calc R . . . .
C268 C -0.1586(9) 0.3267(9) 1.0257(8) 0.181(7) Uani 1 1 d D U . . .
H26M H -0.1215 0.3567 1.0304 0.271 Uiso 1 1 calc R . . . .
H26N H -0.2078 0.3467 1.0052 0.271 Uiso 1 1 calc R . . . .
H26O H -0.1753 0.3020 1.0617 0.271 Uiso 1 1 calc R . . . .
C269 C -0.1556(8) 0.2369(7) 0.9809(6) 0.138(5) Uani 1 1 d D U . . .
H26P H -0.1156 0.2180 0.9608 0.207 Uiso 1 1 calc R . . . .
H26Q H -0.1720 0.2074 1.0144 0.207 Uiso 1 1 calc R . . . .
H26R H -0.2045 0.2521 0.9580 0.207 Uiso 1 1 calc R . . . .
C270 C 0.0135(10) 0.1919(5) 1.0573(5) 0.137(4) Uani 1 1 d D U . . .
H270 H -0.0207 0.1904 1.0906 0.164 Uiso 1 1 calc R . . . .
C271 C 0.0026(11) 0.1399(6) 1.0412(7) 0.163(6) Uani 1 1 d D U . . .
H27A H -0.0549 0.1393 1.0302 0.244 Uiso 1 1 calc R . . . .
H27B H 0.0393 0.1394 1.0104 0.244 Uiso 1 1 calc R . . . .
H27C H 0.0161 0.1048 1.0719 0.244 Uiso 1 1 calc R . . . .
C272 C 0.1034(12) 0.1865(7) 1.0729(9) 0.218(9) Uani 1 1 d D U . . .
H27D H 0.1172 0.2212 1.0849 0.328 Uiso 1 1 calc R . . . .
H27E H 0.1142 0.1501 1.1028 0.328 Uiso 1 1 calc R . . . .
H27F H 0.1374 0.1847 1.0413 0.328 Uiso 1 1 calc R . . . .
C321 C 0.0799(6) -0.0402(3) 0.7576(4) 0.065(2) Uani 1 1 d . U . . .
H321 H 0.0351 -0.0295 0.7325 0.078 Uiso 1 1 calc R . . . .
C322 C 0.0743(6) -0.0448(3) 0.8150(4) 0.066(2) Uani 1 1 d . U . . .
H322 H 0.0266 -0.0379 0.8349 0.080 Uiso 1 1 calc R . . . .
C323 C 0.1558(6) -0.0622(3) 0.8355(4) 0.0563(18) Uani 1 1 d . U . . .
H323 H 0.1728 -0.0696 0.8725 0.068 Uiso 1 1 calc R . . . .
C324 C 0.2072(6) -0.0666(3) 0.7915(3) 0.0538(17) Uani 1 1 d . U . . .
H324 H 0.2648 -0.0769 0.7935 0.065 Uiso 1 1 calc R . . . .
C325 C 0.1590(6) -0.0532(3) 0.7448(4) 0.0614(19) Uani 1 1 d . U . . .
H325 H 0.1782 -0.0532 0.7094 0.074 Uiso 1 1 calc R . . . .
P301 P 0.2723(2) 0.05401(13) 0.75087(17) 0.0481(9) Uani 0.539(3) 1 d D U P C 1
P302 P 0.1414(2) 0.07153(15) 0.83515(14) 0.0453(9) Uani 0.539(3) 1 d D U P C 1
P303 P 0.0889(2) 0.09315(13) 0.71525(14) 0.0391(8) Uani 0.539(3) 1 d D U P C 1
O301 O 0.2868(5) 0.1175(3) 0.7489(4) 0.0381(18) Uani 0.539(3) 1 d D U P C 1
O302 O 0.1479(6) 0.1385(3) 0.8164(3) 0.0398(18) Uani 0.539(3) 1 d D U P C 1
O303 O 0.1220(5) 0.1544(3) 0.7002(3) 0.0381(18) Uani 0.539(3) 1 d D U P C 1
O304 O 0.2856(9) 0.0401(6) 0.6935(5) 0.078(3) Uani 0.539(3) 1 d D U P C 1
O305 O 0.3443(8) 0.0138(6) 0.7832(7) 0.093(3) Uani 0.539(3) 1 d D U P C 1
O306 O 0.2059(8) 0.0454(6) 0.8850(5) 0.064(3) Uani 0.539(3) 1 d D U P C 1
O307 O 0.0594(8) 0.0554(7) 0.8668(5) 0.059(3) Uani 0.539(3) 1 d D U P C 1
O308 O -0.0049(6) 0.0966(5) 0.7335(5) 0.054(2) Uani 0.539(3) 1 d D U P C 1
O309 O 0.0821(8) 0.0741(6) 0.6588(5) 0.055(3) Uani 0.539(3) 1 d D U P C 1
C301 C 0.3569(11) 0.0639(10) 0.6756(8) 0.085(4) Uani 0.539(3) 1 d D U P C 1
H30A H 0.4013 0.0415 0.7005 0.102 Uiso 0.539(3) 1 calc R . P C 1
H30B H 0.3544 0.1054 0.6783 0.102 Uiso 0.539(3) 1 calc R . P C 1
C302 C 0.3807(15) 0.0650(12) 0.6190(8) 0.099(6) Uani 0.539(3) 1 d D U P C 1
H30C H 0.4339 0.0835 0.6102 0.149 Uiso 0.539(3) 1 calc R . P C 1
H30D H 0.3854 0.0242 0.6158 0.149 Uiso 0.539(3) 1 calc R . P C 1
H30E H 0.3384 0.0882 0.5935 0.149 Uiso 0.539(3) 1 calc R . P C 1
C303 C 0.4153(11) 0.0248(8) 0.8070(9) 0.082(4) Uani 0.539(3) 1 d D U P C 1
H30F H 0.4023 0.0540 0.8280 0.098 Uiso 0.539(3) 1 calc R . P C 1
H30G H 0.4557 0.0422 0.7783 0.098 Uiso 0.539(3) 1 calc R . P C 1
C304 C 0.4530(18) -0.0329(13) 0.8453(16) 0.091(8) Uani 0.539(3) 1 d D U P C 1
H30H H 0.5034 -0.0243 0.8619 0.136 Uiso 0.539(3) 1 calc R . P C 1
H30I H 0.4132 -0.0497 0.8740 0.136 Uiso 0.539(3) 1 calc R . P C 1
H30J H 0.4666 -0.0615 0.8244 0.136 Uiso 0.539(3) 1 calc R . P C 1
C305 C 0.2571(13) 0.0866(8) 0.9006(8) 0.082(4) Uani 0.539(3) 1 d D U P C 1
H30K H 0.2219 0.1132 0.9167 0.099 Uiso 0.539(3) 1 calc R . P C 1
H30L H 0.2836 0.1118 0.8675 0.099 Uiso 0.539(3) 1 calc R . P C 1
C306 C 0.3233(16) 0.0552(12) 0.9413(10) 0.120(7) Uani 0.539(3) 1 d D U P C 1
H30M H 0.3564 0.0849 0.9506 0.181 Uiso 0.539(3) 1 calc R . P C 1
H30N H 0.2973 0.0309 0.9744 0.181 Uiso 0.539(3) 1 calc R . P C 1
H30O H 0.3591 0.0295 0.9252 0.181 Uiso 0.539(3) 1 calc R . P C 1
C307 C 0.0284(11) 0.0846(9) 0.9063(8) 0.074(4) Uani 0.539(3) 1 d D U P C 1
H30P H 0.0246 0.1284 0.8903 0.089 Uiso 0.539(3) 1 calc R . P C 1
H30Q H 0.0652 0.0749 0.9387 0.089 Uiso 0.539(3) 1 calc R . P C 1
C308 C -0.0588(14) 0.0605(16) 0.9224(11) 0.102(7) Uani 0.539(3) 1 d D U P C 1
H30R H -0.0834 0.0789 0.9495 0.153 Uiso 0.539(3) 1 calc R . P C 1
H30S H -0.0942 0.0704 0.8899 0.153 Uiso 0.539(3) 1 calc R . P C 1
H30T H -0.0539 0.0172 0.9380 0.153 Uiso 0.539(3) 1 calc R . P C 1
C309 C -0.0511(13) 0.1545(7) 0.7247(9) 0.079(4) Uani 0.539(3) 1 d D U P C 1
H30U H -0.0121 0.1869 0.7147 0.094 Uiso 0.539(3) 1 calc R . P C 1
H30V H -0.0904 0.1601 0.6940 0.094 Uiso 0.539(3) 1 calc R . P C 1
C310 C -0.0965(17) 0.1578(10) 0.7736(10) 0.113(7) Uani 0.539(3) 1 d D U P C 1
H31A H -0.1266 0.1966 0.7667 0.170 Uiso 0.539(3) 1 calc R . P C 1
H31B H -0.1358 0.1260 0.7832 0.170 Uiso 0.539(3) 1 calc R . P C 1
H31C H -0.0576 0.1529 0.8039 0.170 Uiso 0.539(3) 1 calc R . P C 1
C311 C 0.1215(9) 0.1088(7) 0.6057(5) 0.060(3) Uani 0.539(3) 1 d D U P C 1
H31D H 0.1572 0.1399 0.6107 0.072 Uiso 0.539(3) 1 calc R . P C 1
H31E H 0.1524 0.0826 0.5869 0.072 Uiso 0.539(3) 1 calc R . P C 1
C312 C 0.0417(10) 0.1340(8) 0.5782(7) 0.069(4) Uani 0.539(3) 1 d D U P C 1
H31F H 0.0527 0.1592 0.5413 0.103 Uiso 0.539(3) 1 calc R . P C 1
H31G H 0.0076 0.1014 0.5758 0.103 Uiso 0.539(3) 1 calc R . P C 1
H31H H 0.0124 0.1579 0.5993 0.103 Uiso 0.539(3) 1 calc R . P C 1
P501 P 0.2532(3) 0.05323(15) 0.82030(17) 0.0412(9) Uani 0.461(3) 1 d D U P C 2
P502 P 0.0691(2) 0.08604(17) 0.79409(17) 0.0419(9) Uani 0.461(3) 1 d D U P C 2
P503 P 0.1889(3) 0.07594(15) 0.70006(16) 0.0381(9) Uani 0.461(3) 1 d D U P C 2
O501 O 0.2705(6) 0.1182(4) 0.8024(4) 0.042(2) Uani 0.461(3) 1 d D U P C 2
O502 O 0.0930(6) 0.1500(4) 0.7839(4) 0.042(2) Uani 0.461(3) 1 d D U P C 2
O503 O 0.2072(7) 0.1401(4) 0.6942(4) 0.043(2) Uani 0.461(3) 1 d D U P C 2
O504 O 0.3334(6) 0.0125(4) 0.8179(5) 0.041(2) Uani 0.461(3) 1 d D U P C 2
O505 O 0.2419(10) 0.0359(7) 0.8843(6) 0.064(3) Uani 0.461(3) 1 d D U P C 2
O506 O 0.0356(9) 0.0640(8) 0.8554(6) 0.058(3) Uani 0.461(3) 1 d D U P C 2
O507 O -0.0157(7) 0.0871(5) 0.7648(6) 0.056(3) Uani 0.461(3) 1 d D U P C 2
O508 O 0.1134(9) 0.0761(8) 0.6589(6) 0.057(3) Uani 0.461(3) 1 d D U P C 2
O509 O 0.2665(8) 0.0515(6) 0.6687(5) 0.052(3) Uani 0.461(3) 1 d D U P C 2
C501 C 0.4035(10) 0.0234(9) 0.8435(10) 0.073(4) Uani 0.461(3) 1 d D U P C 2
H50D H 0.3901 0.0243 0.8813 0.088 Uiso 0.461(3) 1 calc R . P C 2
H50E H 0.4244 0.0624 0.8234 0.088 Uiso 0.461(3) 1 calc R . P C 2
C502 C 0.469(2) -0.0259(15) 0.844(2) 0.088(8) Uani 0.461(3) 1 d D U P C 2
H50F H 0.5187 -0.0189 0.8623 0.132 Uiso 0.461(3) 1 calc R . P C 2
H50G H 0.4475 -0.0644 0.8645 0.132 Uiso 0.461(3) 1 calc R . P C 2
H50H H 0.4817 -0.0264 0.8068 0.132 Uiso 0.461(3) 1 calc R . P C 2
C503 C 0.2143(14) 0.0751(11) 0.9148(9) 0.086(4) Uani 0.461(3) 1 d D U P C 2
H50I H 0.1628 0.0603 0.9340 0.104 Uiso 0.461(3) 1 calc R . P C 2
H50J H 0.2004 0.1147 0.8891 0.104 Uiso 0.461(3) 1 calc R . P C 2
C504 C 0.2748(18) 0.0827(13) 0.9561(11) 0.099(7) Uani 0.461(3) 1 d D U P C 2
H50K H 0.2506 0.1105 0.9753 0.148 Uiso 0.461(3) 1 calc R . P C 2
H50L H 0.2879 0.0440 0.9826 0.148 Uiso 0.461(3) 1 calc R . P C 2
H50M H 0.3256 0.0985 0.9376 0.148 Uiso 0.461(3) 1 calc R . P C 2
C505 C -0.0138(15) 0.1009(9) 0.8811(8) 0.076(4) Uani 0.461(3) 1 d D U P C 2
H50N H -0.0653 0.1155 0.8599 0.091 Uiso 0.461(3) 1 calc R . P C 2
H50O H 0.0169 0.1358 0.8829 0.091 Uiso 0.461(3) 1 calc R . P C 2
C506 C -0.034(2) 0.0629(17) 0.9391(9) 0.107(9) Uani 0.461(3) 1 d D U P C 2
H50P H -0.0684 0.0871 0.9578 0.160 Uiso 0.461(3) 1 calc R . P C 2
H50Q H -0.0649 0.0286 0.9368 0.160 Uiso 0.461(3) 1 calc R . P C 2
H50R H 0.0169 0.0488 0.9597 0.160 Uiso 0.461(3) 1 calc R . P C 2
C507 C -0.0451(11) 0.1338(7) 0.7186(7) 0.052(3) Uani 0.461(3) 1 d D U P C 2
H50S H -0.0695 0.1168 0.6912 0.062 Uiso 0.461(3) 1 calc R . P C 2
H50T H 0.0011 0.1583 0.7012 0.062 Uiso 0.461(3) 1 calc R . P C 2
C508 C -0.1115(11) 0.1727(7) 0.7395(7) 0.047(4) Uani 0.461(3) 1 d D U P C 2
H50U H -0.1328 0.2052 0.7087 0.070 Uiso 0.461(3) 1 calc R . P C 2
H50V H -0.1569 0.1480 0.7565 0.070 Uiso 0.461(3) 1 calc R . P C 2
H50W H -0.0865 0.1894 0.7665 0.070 Uiso 0.461(3) 1 calc R . P C 2
C509 C 0.0554(12) 0.1140(8) 0.6153(7) 0.072(4) Uani 0.461(3) 1 d D U P C 2
H50X H 0.0123 0.0899 0.6060 0.087 Uiso 0.461(3) 1 calc R . P C 2
H50Y H 0.0284 0.1473 0.6271 0.087 Uiso 0.461(3) 1 calc R . P C 2
C510 C 0.1122(16) 0.1362(10) 0.5684(8) 0.085(5) Uani 0.461(3) 1 d D U P C 2
H51D H 0.0807 0.1617 0.5372 0.128 Uiso 0.461(3) 1 calc R . P C 2
H51E H 0.1547 0.1592 0.5790 0.128 Uiso 0.461(3) 1 calc R . P C 2
H51F H 0.1387 0.1022 0.5580 0.128 Uiso 0.461(3) 1 calc R . P C 2
C511 C 0.3442(11) 0.0778(10) 0.6468(8) 0.073(4) Uani 0.461(3) 1 d D U P C 2
H51G H 0.3922 0.0548 0.6675 0.088 Uiso 0.461(3) 1 calc R . P C 2
H51H H 0.3449 0.1197 0.6483 0.088 Uiso 0.461(3) 1 calc R . P C 2
C512 C 0.3457(17) 0.0748(15) 0.5897(9) 0.103(7) Uani 0.461(3) 1 d D U P C 2
H51I H 0.3963 0.0918 0.5719 0.154 Uiso 0.461(3) 1 calc R . P C 2
H51J H 0.3443 0.0331 0.5892 0.154 Uiso 0.461(3) 1 calc R . P C 2
H51K H 0.2974 0.0975 0.5701 0.154 Uiso 0.461(3) 1 calc R . P C 2
Si2A Si 0.7166(9) 0.0166(4) 0.7453(5) 0.0535(17) Uani 0.372(3) 1 d D U P A 2
N6A N 0.792(3) -0.0643(17) 1.0245(12) 0.148(6) Uani 0.372(3) 1 d D U P A 2
C63A C 0.7934(15) -0.0052(13) 0.8068(8) 0.072(4) Uani 0.372(3) 1 d D U P A 2
H63C H 0.8371 -0.0329 0.7991 0.087 Uiso 0.372(3) 1 calc R . P A 2
H63D H 0.8205 0.0313 0.8084 0.087 Uiso 0.372(3) 1 calc R . P A 2
C64A C 0.757(2) -0.0349(19) 0.8652(9) 0.114(7) Uani 0.372(3) 1 d D U P A 2
H64C H 0.7393 -0.0750 0.8660 0.137 Uiso 0.372(3) 1 calc R . P A 2
H64D H 0.7068 -0.0109 0.8705 0.137 Uiso 0.372(3) 1 calc R . P A 2
C65A C 0.8183(17) -0.0413(13) 0.9154(10) 0.148(6) Uani 0.372(3) 1 d D U P A 2
H65C H 0.8664 -0.0655 0.9076 0.178 Uiso 0.372(3) 1 calc R . P A 2
H65D H 0.8380 -0.0007 0.9098 0.178 Uiso 0.372(3) 1 calc R . P A 2
C66A C 0.807(3) -0.065(2) 0.9778(11) 0.148(6) Uani 0.372(3) 1 d D U P A 2
C67A C 0.7695(12) 0.0549(8) 0.6782(7) 0.070(4) Uani 0.372(3) 1 d D U P A 2
H67A H 0.7924 0.0926 0.6819 0.084 Uiso 0.372(3) 1 calc R . P A 2
C68A C 0.8407(14) 0.0172(12) 0.6597(11) 0.086(6) Uani 0.372(3) 1 d D U P A 2
H68D H 0.8835 0.0057 0.6881 0.130 Uiso 0.372(3) 1 calc R . P A 2
H68E H 0.8185 -0.0187 0.6538 0.130 Uiso 0.372(3) 1 calc R . P A 2
H68F H 0.8647 0.0410 0.6256 0.130 Uiso 0.372(3) 1 calc R . P A 2
C69A C 0.7043(18) 0.0715(15) 0.6315(11) 0.120(7) Uani 0.372(3) 1 d D U P A 2
H69D H 0.6582 0.0953 0.6414 0.180 Uiso 0.372(3) 1 calc R . P A 2
H69E H 0.7299 0.0946 0.5977 0.180 Uiso 0.372(3) 1 calc R . P A 2
H69F H 0.6837 0.0350 0.6259 0.180 Uiso 0.372(3) 1 calc R . P A 2
C70A C 0.6333(13) 0.0648(10) 0.7664(10) 0.062(4) Uani 0.372(3) 1 d D U P A 2
H70A H 0.6147 0.0417 0.8034 0.074 Uiso 0.372(3) 1 calc R . P A 2
C71A C 0.6539(17) 0.1211(13) 0.7713(19) 0.062(6) Uani 0.372(3) 1 d D U P A 2
H71D H 0.7025 0.1163 0.7949 0.093 Uiso 0.372(3) 1 calc R . P A 2
H71E H 0.6662 0.1473 0.7350 0.093 Uiso 0.372(3) 1 calc R . P A 2
H71F H 0.6072 0.1388 0.7873 0.093 Uiso 0.372(3) 1 calc R . P A 2
C72A C 0.5596(14) 0.0748(13) 0.7303(11) 0.060(6) Uani 0.372(3) 1 d D U P A 2
H72D H 0.5435 0.0366 0.7259 0.090 Uiso 0.372(3) 1 calc R . P A 2
H72E H 0.5139 0.0930 0.7467 0.090 Uiso 0.372(3) 1 calc R . P A 2
H72F H 0.5729 0.1015 0.6945 0.090 Uiso 0.372(3) 1 calc R . P A 2
Si2B Si 0.7320(11) 0.0183(6) 0.7190(8) 0.0535(17) Uani 0.221(3) 1 d D U P A 3
N6B N 0.512(2) -0.0395(17) 0.5837(19) 0.095(4) Uani 0.221(3) 1 d D U P A 3
C63B C 0.7872(19) 0.042(2) 0.6468(10) 0.093(5) Uani 0.221(3) 1 d D U P A 3
H63E H 0.8073 0.0827 0.6406 0.112 Uiso 0.221(3) 1 calc R . P A 3
H63F H 0.8358 0.0145 0.6470 0.112 Uiso 0.221(3) 1 calc R . P A 3
C64B C 0.728(2) 0.041(2) 0.5985(12) 0.101(5) Uani 0.221(3) 1 d D U P A 3
H64E H 0.7562 0.0151 0.5786 0.122 Uiso 0.221(3) 1 calc R . P A 3
H64F H 0.7264 0.0822 0.5732 0.122 Uiso 0.221(3) 1 calc R . P A 3
C65B C 0.636(2) 0.0226(11) 0.6072(10) 0.095(4) Uani 0.221(3) 1 d D U P A 3
H65E H 0.6339 0.0074 0.6475 0.114 Uiso 0.221(3) 1 calc R . P A 3
H65F H 0.6059 0.0620 0.5987 0.114 Uiso 0.221(3) 1 calc R . P A 3
C66B C 0.572(2) -0.016(2) 0.590(2) 0.095(4) Uani 0.221(3) 1 d D U P A 3
C67B C 0.6546(16) 0.0786(11) 0.7262(14) 0.061(4) Uani 0.221(3) 1 d D U P A 3
H67B H 0.6260 0.0616 0.7618 0.074 Uiso 0.221(3) 1 calc R . P A 3
C68B C 0.587(2) 0.0914(19) 0.6829(18) 0.068(8) Uani 0.221(3) 1 d D U P A 3
H68G H 0.5637 0.0539 0.6819 0.102 Uiso 0.221(3) 1 calc R . P A 3
H68H H 0.5434 0.1178 0.6918 0.102 Uiso 0.221(3) 1 calc R . P A 3
H68I H 0.6105 0.1108 0.6471 0.102 Uiso 0.221(3) 1 calc R . P A 3
C69B C 0.698(2) 0.1330(13) 0.733(2) 0.070(7) Uani 0.221(3) 1 d D U P A 3
H69G H 0.7404 0.1196 0.7621 0.106 Uiso 0.221(3) 1 calc R . P A 3
H69H H 0.7248 0.1534 0.6989 0.106 Uiso 0.221(3) 1 calc R . P A 3
H69I H 0.6576 0.1605 0.7436 0.106 Uiso 0.221(3) 1 calc R . P A 3
C70B C 0.8171(18) 0.0005(15) 0.7710(12) 0.064(4) Uani 0.221(3) 1 d D U P A 3
H70B H 0.8470 0.0374 0.7688 0.077 Uiso 0.221(3) 1 calc R . P A 3
C71B C 0.875(2) -0.0459(19) 0.7679(18) 0.082(8) Uani 0.221(3) 1 d D U P A 3
H71G H 0.9005 -0.0360 0.7317 0.124 Uiso 0.221(3) 1 calc R . P A 3
H71H H 0.9175 -0.0507 0.7959 0.124 Uiso 0.221(3) 1 calc R . P A 3
H71I H 0.8464 -0.0832 0.7740 0.124 Uiso 0.221(3) 1 calc R . P A 3
C72B C 0.789(3) -0.026(2) 0.8287(12) 0.078(7) Uani 0.221(3) 1 d D U P A 3
H72G H 0.7467 0.0015 0.8382 0.116 Uiso 0.221(3) 1 calc R . P A 3
H72H H 0.7646 -0.0641 0.8318 0.116 Uiso 0.221(3) 1 calc R . P A 3
H72I H 0.8357 -0.0316 0.8537 0.116 Uiso 0.221(3) 1 calc R . P A 3


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 N1 2.393(4) . ?
Dy1 N2 2.408(4) . ?
Dy1 N3 2.383(4) . ?
Dy1 N4 2.395(4) . ?
Dy1 O101 2.299(4) . ?
Dy1 O102 2.318(4) . ?
Dy1 O103 2.357(4) . ?
Dy1 O401 2.28(3) . ?
Dy1 O402 2.26(3) . ?
Dy1 O403 2.22(2) . ?
Co1 C121 2.090(7) . ?
Co1 C122 2.076(7) . ?
Co1 C123 2.081(7) . ?
Co1 C124 2.088(7) . ?
Co1 C125 2.091(7) . ?
Co1 P101 2.1590(18) . ?
Co1 P102 2.1519(18) . ?
Co1 P103 2.1763(19) . ?
Co1 P401 2.418(16) . ?
Co1 P402 2.175(16) . ?
Co1 P403 2.139(15) . ?
Si1 C22 1.832(6) . ?
Si1 C53 1.862(9) . ?
Si1 C57 1.870(9) . ?
Si1 C60 1.887(9) . ?
Si2 C24 1.845(7) . ?
Si2 C63 1.951(16) . ?
Si2 C67 1.884(14) . ?
Si2 C70 1.869(15) . ?
N1 C1 1.372(6) . ?
N1 C4 1.382(6) . ?
N2 C6 1.375(6) . ?
N2 C9 1.364(6) . ?
N3 C11 1.374(6) . ?
N3 C14 1.383(6) . ?
N4 C16 1.393(6) . ?
N4 C19 1.371(6) . ?
N5 C56 1.092(11) . ?
N6 C66 1.193(13) . ?
C1 C2 1.448(7) . ?
C1 C20 1.407(7) . ?
C2 H2 0.9500 . ?
C2 C3 1.343(7) . ?
C3 H3 0.9500 . ?
C3 C4 1.448(7) . ?
C4 C5 1.406(7) . ?
C5 C6 1.402(7) . ?
C5 C25 1.504(7) . ?
C6 C7 1.433(7) . ?
C7 H7 0.9500 . ?
C7 C8 1.350(7) . ?
C8 H8 0.9500 . ?
C8 C9 1.445(7) . ?
C9 C10 1.406(7) . ?
C10 C11 1.408(7) . ?
C10 C23 1.450(7) . ?
C11 C12 1.432(7) . ?
C12 H12 0.9500 . ?
C12 C13 1.349(7) . ?
C13 H13 0.9500 . ?
C13 C14 1.440(7) . ?
C14 C15 1.415(7) . ?
C15 C16 1.399(7) . ?
C15 C39 1.509(7) . ?
C16 C17 1.439(7) . ?
C17 H17 0.9500 . ?
C17 C18 1.355(8) . ?
C18 H18 0.9500 . ?
C18 C19 1.442(7) . ?
C19 C20 1.404(7) . ?
C20 C21 1.447(7) . ?
C21 C22 1.196(7) . ?
C23 C24 1.203(8) . ?
C24 Si2A 1.860(8) . ?
C24 Si2B 1.847(9) . ?
C25 C26 1.388(7) . ?
C25 C30 1.389(8) . ?
C26 H26 0.9500 . ?
C26 C27 1.397(7) . ?
C27 C28 1.381(8) . ?
C27 C31 1.534(8) . ?
C28 H28 0.9500 . ?
C28 C29 1.390(8) . ?
C29 C30 1.396(7) . ?
C29 C35 1.527(8) . ?
C30 H30 0.9500 . ?
C31 C32 1.522(9) . ?
C31 C33 1.542(8) . ?
C31 C34 1.538(8) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 C36 1.518(10) . ?
C35 C37 1.521(9) . ?
C35 C38 1.519(10) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 C40 1.392(8) . ?
C39 C44 1.388(7) . ?
C40 H40 0.9500 . ?
C40 C41 1.394(7) . ?
C41 C42 1.392(8) . ?
C41 C45 1.541(8) . ?
C42 H42 0.9500 . ?
C42 C43 1.398(8) . ?
C43 C44 1.394(7) . ?
C43 C49 1.539(8) . ?
C44 H44 0.9500 . ?
C45 C46 1.532(8) . ?
C45 C47 1.528(9) . ?
C45 C48 1.530(9) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C50 1.529(10) . ?
C49 C51 1.479(11) . ?
C49 C52 1.528(10) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C53 C54 1.559(11) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C54 C55 1.343(13) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C55 C56 1.453(13) . ?
C57 H57 1.0000 . ?
C57 C58 1.495(12) . ?
C57 C59 1.517(13) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60 1.0000 . ?
C60 C61 1.470(12) . ?
C60 C62 1.498(11) . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C63 C64 1.599(19) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C64 C65 1.565(18) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C65 C66 1.557(18) . ?
C67 H67 1.0000 . ?
C67 C68 1.522(15) . ?
C67 C69 1.554(12) . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C70 H70 1.0000 . ?
C70 C71 1.416(18) . ?
C70 C72 1.529(14) . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C121 H121 0.9500 . ?
C121 C122 1.406(10) . ?
C121 C125 1.417(10) . ?
C122 H122 0.9500 . ?
C122 C123 1.420(9) . ?
C123 H123 0.9500 . ?
C123 C124 1.407(10) . ?
C124 H124 0.9500 . ?
C124 C125 1.407(10) . ?
C125 H125 0.9500 . ?
P101 O101 1.520(5) . ?
P101 O104 1.606(5) . ?
P101 O105 1.584(6) . ?
P102 O102 1.504(5) . ?
P102 O106 1.611(5) . ?
P102 O107 1.583(7) . ?
P103 O103 1.506(5) . ?
P103 O108 1.608(5) . ?
P103 O109 1.611(6) . ?
O104 C101 1.452(10) . ?
O105 C103 1.467(9) . ?
O106 C105 1.416(10) . ?
O107 C107 1.458(10) . ?
O108 C109 1.439(11) . ?
O109 C111 1.465(9) . ?
C101 H10A 0.9900 . ?
C101 H10B 0.9900 . ?
C101 C102 1.380(15) . ?
C102 H10C 0.9800 . ?
C102 H10D 0.9800 . ?
C102 H10E 0.9800 . ?
C103 H10F 0.9900 . ?
C103 H10G 0.9900 . ?
C103 C104 1.469(12) . ?
C104 H10H 0.9800 . ?
C104 H10I 0.9800 . ?
C104 H10J 0.9800 . ?
C105 H10K 0.9900 . ?
C105 H10L 0.9900 . ?
C105 C106 1.444(13) . ?
C106 H10M 0.9800 . ?
C106 H10N 0.9800 . ?
C106 H10O 0.9800 . ?
C107 H10P 0.9900 . ?
C107 H10Q 0.9900 . ?
C107 C108 1.466(12) . ?
C108 H10R 0.9800 . ?
C108 H10S 0.9800 . ?
C108 H10T 0.9800 . ?
C109 H10U 0.9900 . ?
C109 H10V 0.9900 . ?
C109 C110 1.445(13) . ?
C110 H11A 0.9800 . ?
C110 H11B 0.9800 . ?
C110 H11C 0.9800 . ?
C111 H11D 0.9900 . ?
C111 H11E 0.9900 . ?
C111 C112 1.469(12) . ?
C112 H11F 0.9800 . ?
C112 H11G 0.9800 . ?
C112 H11H 0.9800 . ?
P401 O401 1.496(18) . ?
P401 O404 1.599(19) . ?
P401 O405 1.585(19) . ?
P402 O402 1.487(18) . ?
P402 O406 1.607(19) . ?
P402 O407 1.576(18) . ?
P403 O403 1.521(18) . ?
P403 O408 1.595(19) . ?
P403 O409 1.635(19) . ?
O404 C401 1.44(2) . ?
O405 C403 1.47(2) . ?
O406 C405 1.41(2) . ?
O407 C407 1.46(2) . ?
O408 C409 1.43(2) . ?
O409 C411 1.50(2) . ?
C401 H40A 0.9900 . ?
C401 H40B 0.9900 . ?
C401 C402 1.37(2) . ?
C402 H40C 0.9800 . ?
C402 H40D 0.9800 . ?
C402 H40E 0.9800 . ?
C403 H40F 0.9900 . ?
C403 H40G 0.9900 . ?
C403 C404 1.48(2) . ?
C404 H40H 0.9800 . ?
C404 H40I 0.9800 . ?
C404 H40J 0.9800 . ?
C405 H40K 0.9900 . ?
C405 H40L 0.9900 . ?
C405 C406 1.45(2) . ?
C406 H40M 0.9800 . ?
C406 H40N 0.9800 . ?
C406 H40O 0.9800 . ?
C407 H40P 0.9900 . ?
C407 H40Q 0.9900 . ?
C407 C408 1.47(2) . ?
C408 H40R 0.9800 . ?
C408 H40S 0.9800 . ?
C408 H40T 0.9800 . ?
C409 H40U 0.9900 . ?
C409 H40V 0.9900 . ?
C409 C410 1.44(2) . ?
C410 H41A 0.9800 . ?
C410 H41B 0.9800 . ?
C410 H41C 0.9800 . ?
C411 H41D 0.9900 . ?
C411 H41E 0.9900 . ?
C411 C412 1.47(2) . ?
C412 H41F 0.9800 . ?
C412 H41G 0.9800 . ?
C412 H41H 0.9800 . ?
Dy21 N201 2.376(5) . ?
Dy21 N202 2.391(5) . ?
Dy21 N203 2.405(5) . ?
Dy21 N204 2.390(5) . ?
Dy21 O301 2.319(7) . ?
Dy21 O302 2.274(8) . ?
Dy21 O303 2.329(7) . ?
Dy21 O501 2.336(9) . ?
Dy21 O502 2.344(9) . ?
Dy21 O503 2.216(8) . ?
Co21 C321 2.073(8) . ?
Co21 C322 2.068(8) . ?
Co21 C323 2.071(7) . ?
Co21 C324 2.090(7) . ?
Co21 C325 2.100(8) . ?
Co21 P301 2.132(4) . ?
Co21 P302 2.146(4) . ?
Co21 P303 2.218(3) . ?
Co21 P501 2.233(4) . ?
Co21 P502 2.148(4) . ?
Co21 P503 2.127(4) . ?
Si21 C222 1.840(6) . ?
Si21 C253 1.882(8) . ?
Si21 C257 1.886(6) . ?
Si21 C260 1.855(8) . ?
Si22 C224 1.814(7) . ?
Si22 C263 1.867(8) . ?
Si22 C267 1.905(11) . ?
Si22 C270 1.876(12) . ?
N201 C201 1.370(7) . ?
N201 C204 1.386(7) . ?
N202 C206 1.381(7) . ?
N202 C209 1.359(7) . ?
N203 C211 1.365(7) . ?
N203 C214 1.371(7) . ?
N204 C216 1.373(7) . ?
N204 C219 1.363(7) . ?
N205 C256 1.103(11) . ?
N206 C266 1.177(11) . ?
C201 C202 1.441(7) . ?
C201 C220 1.411(7) . ?
C202 H202 0.9500 . ?
C202 C203 1.338(8) . ?
C203 H203 0.9500 . ?
C203 C204 1.454(8) . ?
C204 C205 1.405(8) . ?
C205 C206 1.397(8) . ?
C205 C225 1.504(7) . ?
C206 C207 1.450(8) . ?
C207 H207 0.9500 . ?
C207 C208 1.342(9) . ?
C208 H208 0.9500 . ?
C208 C209 1.436(8) . ?
C209 C210 1.423(8) . ?
C210 C211 1.401(8) . ?
C210 C223 1.432(8) . ?
C211 C212 1.440(8) . ?
C212 H212 0.9500 . ?
C212 C213 1.339(8) . ?
C213 H213 0.9500 . ?
C213 C214 1.437(8) . ?
C214 C215 1.412(8) . ?
C215 C216 1.407(7) . ?
C215 C239 1.495(7) . ?
C216 C217 1.453(8) . ?
C217 H217 0.9500 . ?
C217 C218 1.354(8) . ?
C218 H218 0.9500 . ?
C218 C219 1.439(8) . ?
C219 C220 1.416(7) . ?
C220 C221 1.435(8) . ?
C221 C222 1.194(8) . ?
C223 C224 1.200(8) . ?
C225 C226 1.389(8) . ?
C225 C230 1.394(8) . ?
C226 H226 0.9500 . ?
C226 C227 1.397(8) . ?
C227 C228 1.383(9) . ?
C227 C231 1.540(10) . ?
C228 H228 0.9500 . ?
C228 C229 1.389(9) . ?
C229 C230 1.397(8) . ?
C229 C235 1.537(9) . ?
C230 H230 0.9500 . ?
C231 C232 1.523(13) . ?
C231 C233 1.520(10) . ?
C231 C234 1.520(12) . ?
C232 H23A 0.9800 . ?
C232 H23B 0.9800 . ?
C232 H23C 0.9800 . ?
C233 H23D 0.9800 . ?
C233 H23E 0.9800 . ?
C233 H23F 0.9800 . ?
C234 H23G 0.9800 . ?
C234 H23H 0.9800 . ?
C234 H23I 0.9800 . ?
C235 C236 1.546(13) . ?
C235 C237 1.502(13) . ?
C235 C238 1.470(12) . ?
C236 H23J 0.9800 . ?
C236 H23K 0.9800 . ?
C236 H23L 0.9800 . ?
C237 H23M 0.9800 . ?
C237 H23N 0.9800 . ?
C237 H23O 0.9800 . ?
C238 H23P 0.9800 . ?
C238 H23Q 0.9800 . ?
C238 H23R 0.9800 . ?
C239 C240 1.387(7) . ?
C239 C244 1.393(7) . ?
C240 H240 0.9500 . ?
C240 C241 1.396(8) . ?
C241 C242 1.390(8) . ?
C241 C245 1.534(8) . ?
C242 H242 0.9500 . ?
C242 C243 1.387(8) . ?
C243 C244 1.391(8) . ?
C243 C249 1.542(8) . ?
C244 H244 0.9500 . ?
C245 C246 1.522(11) . ?
C245 C247 1.530(9) . ?
C245 C248 1.539(10) . ?
C246 H24A 0.9800 . ?
C246 H24B 0.9800 . ?
C246 H24C 0.9800 . ?
C247 H24D 0.9800 . ?
C247 H24E 0.9800 . ?
C247 H24F 0.9800 . ?
C248 H24G 0.9800 . ?
C248 H24H 0.9800 . ?
C248 H24I 0.9800 . ?
C249 C250 1.529(9) . ?
C249 C251 1.521(9) . ?
C249 C252 1.518(9) . ?
C250 H25A 0.9800 . ?
C250 H25B 0.9800 . ?
C250 H25C 0.9800 . ?
C251 H25D 0.9800 . ?
C251 H25E 0.9800 . ?
C251 H25F 0.9800 . ?
C252 H25G 0.9800 . ?
C252 H25H 0.9800 . ?
C252 H25I 0.9800 . ?
C253 H25J 0.9900 . ?
C253 H25K 0.9900 . ?
C253 C254 1.546(9) . ?
C254 H25L 0.9900 . ?
C254 H25M 0.9900 . ?
C254 C255 1.462(11) . ?
C255 H25N 0.9900 . ?
C255 H25O 0.9900 . ?
C255 C256 1.473(12) . ?
C257 H257 1.0000 . ?
C257 C258 1.485(11) . ?
C257 C259 1.537(9) . ?
C258 H25P 0.9800 . ?
C258 H25Q 0.9800 . ?
C258 H25R 0.9800 . ?
C259 H25S 0.9800 . ?
C259 H25T 0.9800 . ?
C259 H25U 0.9800 . ?
C260 H260 1.0000 . ?
C260 C261 1.489(12) . ?
C260 C262 1.528(11) . ?
C261 H26A 0.9800 . ?
C261 H26B 0.9800 . ?
C261 H26C 0.9800 . ?
C262 H26D 0.9800 . ?
C262 H26E 0.9800 . ?
C262 H26F 0.9800 . ?
C263 H26G 0.9900 . ?
C263 H26H 0.9900 . ?
C263 C264 1.523(12) . ?
C264 H26I 0.9900 . ?
C264 H26J 0.9900 . ?
C264 C265 1.564(10) . ?
C265 H26K 0.9900 . ?
C265 H26L 0.9900 . ?
C265 C266 1.497(13) . ?
C267 H267 1.0000 . ?
C267 C268 1.465(11) . ?
C267 C269 1.544(11) . ?
C268 H26M 0.9800 . ?
C268 H26N 0.9800 . ?
C268 H26O 0.9800 . ?
C269 H26P 0.9800 . ?
C269 H26Q 0.9800 . ?
C269 H26R 0.9800 . ?
C270 H270 1.0000 . ?
C270 C271 1.407(15) . ?
C270 C272 1.504(13) . ?
C271 H27A 0.9800 . ?
C271 H27B 0.9800 . ?
C271 H27C 0.9800 . ?
C272 H27D 0.9800 . ?
C272 H27E 0.9800 . ?
C272 H27F 0.9800 . ?
C321 H321 0.9500 . ?
C321 C322 1.437(13) . ?
C321 C325 1.359(13) . ?
C322 H322 0.9500 . ?
C322 C323 1.423(13) . ?
C323 H323 0.9500 . ?
C323 C324 1.411(12) . ?
C324 H324 0.9500 . ?
C324 C325 1.382(12) . ?
C325 H325 0.9500 . ?
P301 O301 1.502(7) . ?
P301 O304 1.594(12) . ?
P301 O305 1.549(11) . ?
P302 O302 1.515(8) . ?
P302 O306 1.616(12) . ?
P302 O307 1.553(12) . ?
P303 O303 1.501(7) . ?
P303 O308 1.589(11) . ?
P303 O309 1.626(12) . ?
O304 C301 1.328(13) . ?
O305 C303 1.376(13) . ?
O306 C305 1.444(13) . ?
O307 C307 1.436(13) . ?
O308 C309 1.472(13) . ?
O309 C311 1.521(13) . ?
C301 H30A 0.9900 . ?
C301 H30B 0.9900 . ?
C301 C302 1.482(15) . ?
C302 H30C 0.9800 . ?
C302 H30D 0.9800 . ?
C302 H30E 0.9800 . ?
C303 H30F 0.9900 . ?
C303 H30G 0.9900 . ?
C303 C304 1.528(15) . ?
C304 H30H 0.9800 . ?
C304 H30I 0.9800 . ?
C304 H30J 0.9800 . ?
C305 H30K 0.9900 . ?
C305 H30L 0.9900 . ?
C305 C306 1.512(14) . ?
C306 H30M 0.9800 . ?
C306 H30N 0.9800 . ?
C306 H30O 0.9800 . ?
C307 H30P 0.9900 . ?
C307 H30Q 0.9900 . ?
C307 C308 1.557(14) . ?
C308 H30R 0.9800 . ?
C308 H30S 0.9800 . ?
C308 H30T 0.9800 . ?
C309 H30U 0.9900 . ?
C309 H30V 0.9900 . ?
C309 C310 1.456(14) . ?
C310 H31A 0.9800 . ?
C310 H31B 0.9800 . ?
C310 H31C 0.9800 . ?
C311 H31D 0.9900 . ?
C311 H31E 0.9900 . ?
C311 C312 1.490(13) . ?
C312 H31F 0.9800 . ?
C312 H31G 0.9800 . ?
C312 H31H 0.9800 . ?
P501 O501 1.500(9) . ?
P501 O504 1.580(10) . ?
P501 O505 1.577(14) . ?
P502 O502 1.515(9) . ?
P502 O506 1.599(14) . ?
P502 O507 1.568(11) . ?
P503 O503 1.511(8) . ?
P503 O508 1.620(12) . ?
P503 O509 1.643(12) . ?
O504 C501 1.384(13) . ?
O505 C503 1.409(14) . ?
O506 C505 1.429(14) . ?
O507 C507 1.430(13) . ?
O508 C509 1.513(13) . ?
O509 C511 1.465(14) . ?
C501 H50D 0.9900 . ?
C501 H50E 0.9900 . ?
C501 C502 1.517(16) . ?
C502 H50F 0.9800 . ?
C502 H50G 0.9800 . ?
C502 H50H 0.9800 . ?
C503 H50I 0.9900 . ?
C503 H50J 0.9900 . ?
C503 C504 1.501(15) . ?
C504 H50K 0.9800 . ?
C504 H50L 0.9800 . ?
C504 H50M 0.9800 . ?
C505 H50N 0.9900 . ?
C505 H50O 0.9900 . ?
C505 C506 1.542(15) . ?
C506 H50P 0.9800 . ?
C506 H50Q 0.9800 . ?
C506 H50R 0.9800 . ?
C507 H50S 0.9900 . ?
C507 H50T 0.9900 . ?
C507 C508 1.555(14) . ?
C508 H50U 0.9800 . ?
C508 H50V 0.9800 . ?
C508 H50W 0.9800 . ?
C509 H50X 0.9900 . ?
C509 H50Y 0.9900 . ?
C509 C510 1.492(15) . ?
C510 H51D 0.9800 . ?
C510 H51E 0.9800 . ?
C510 H51F 0.9800 . ?
C511 H51G 0.9900 . ?
C511 H51H 0.9900 . ?
C511 C512 1.475(14) . ?
C512 H51I 0.9800 . ?
C512 H51J 0.9800 . ?
C512 H51K 0.9800 . ?
Si2A C63A 1.950(16) . ?
Si2A C67A 1.910(15) . ?
Si2A C70A 1.881(16) . ?
N6A C66A 1.213(13) . ?
C63A H63C 0.9900 . ?
C63A H63D 0.9900 . ?
C63A C64A 1.577(19) . ?
C64A H64C 0.9900 . ?
C64A H64D 0.9900 . ?
C64A C65A 1.600(19) . ?
C65A H65C 0.9900 . ?
C65A H65D 0.9900 . ?
C65A C66A 1.54(2) . ?
C67A H67A 1.0000 . ?
C67A C68A 1.563(13) . ?
C67A C69A 1.554(13) . ?
C68A H68D 0.9800 . ?
C68A H68E 0.9800 . ?
C68A H68F 0.9800 . ?
C69A H69D 0.9800 . ?
C69A H69E 0.9800 . ?
C69A H69F 0.9800 . ?
C70A H70A 1.0000 . ?
C70A C71A 1.414(18) . ?
C70A C72A 1.484(18) . ?
C71A H71D 0.9800 . ?
C71A H71E 0.9800 . ?
C71A H71F 0.9800 . ?
C72A H72D 0.9800 . ?
C72A H72E 0.9800 . ?
C72A H72F 0.9800 . ?
Si2B C63B 1.984(17) . ?
Si2B C67B 1.882(16) . ?
Si2B C70B 1.872(17) . ?
N6B C66B 1.183(13) . ?
C63B H63E 0.9900 . ?
C63B H63F 0.9900 . ?
C63B C64B 1.57(2) . ?
C64B H64E 0.9900 . ?
C64B H64F 0.9900 . ?
C64B C65B 1.572(19) . ?
C65B H65E 0.9900 . ?
C65B H65F 0.9900 . ?
C65B C66B 1.55(2) . ?
C67B H67B 1.0000 . ?
C67B C68B 1.523(14) . ?
C67B C69B 1.543(13) . ?
C68B H68G 0.9800 . ?
C68B H68H 0.9800 . ?
C68B H68I 0.9800 . ?
C69B H69G 0.9800 . ?
C69B H69H 0.9800 . ?
C69B H69I 0.9800 . ?
C70B H70B 1.0000 . ?
C70B C71B 1.412(19) . ?
C70B C72B 1.504(19) . ?
C71B H71G 0.9800 . ?
C71B H71H 0.9800 . ?
C71B H71I 0.9800 . ?
C72B H72G 0.9800 . ?
C72B H72H 0.9800 . ?
C72B H72I 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Dy1 N2 74.12(14) . . ?
N1 Dy1 N4 75.89(14) . . ?
N3 Dy1 N1 118.04(15) . . ?
N3 Dy1 N2 75.29(14) . . ?
N3 Dy1 N4 74.81(14) . . ?
N4 Dy1 N2 119.76(15) . . ?
O101 Dy1 N1 77.99(15) . . ?
O101 Dy1 N2 116.96(15) . . ?
O101 Dy1 N3 163.00(15) . . ?
O101 Dy1 N4 105.92(15) . . ?
O101 Dy1 O102 79.85(15) . . ?
O101 Dy1 O103 78.29(15) . . ?
O102 Dy1 N1 130.14(16) . . ?
O102 Dy1 N2 77.29(15) . . ?
O102 Dy1 N3 92.31(16) . . ?
O102 Dy1 N4 153.67(16) . . ?
O102 Dy1 O103 76.48(15) . . ?
O103 Dy1 N1 139.40(15) . . ?
O103 Dy1 N2 146.45(14) . . ?
O103 Dy1 N3 85.24(15) . . ?
O103 Dy1 N4 79.58(15) . . ?
O401 Dy1 N1 76.4(7) . . ?
O401 Dy1 N2 90.7(8) . . ?
O401 Dy1 N3 154.9(8) . . ?
O401 Dy1 N4 130.2(8) . . ?
O402 Dy1 N1 148.5(10) . . ?
O402 Dy1 N2 86.0(8) . . ?
O402 Dy1 N3 78.6(9) . . ?
O402 Dy1 N4 135.6(10) . . ?
O402 Dy1 O401 79.7(10) . . ?
O403 Dy1 N1 115.7(9) . . ?
O403 Dy1 N2 165.8(8) . . ?
O403 Dy1 N3 106.5(8) . . ?
O403 Dy1 N4 73.7(7) . . ?
O403 Dy1 O401 82.3(9) . . ?
O403 Dy1 O402 80.7(9) . . ?
C121 Co1 C125 39.6(3) . . ?
C121 Co1 P101 119.7(2) . . ?
C121 Co1 P102 145.2(2) . . ?
C121 Co1 P103 92.7(2) . . ?
C121 Co1 P401 147.1(5) . . ?
C121 Co1 P402 126.0(5) . . ?
C121 Co1 P403 97.1(5) . . ?
C122 Co1 C121 39.4(3) . . ?
C122 Co1 C123 39.9(3) . . ?
C122 Co1 C124 66.4(3) . . ?
C122 Co1 C125 66.3(3) . . ?
C122 Co1 P101 90.8(2) . . ?
C122 Co1 P102 148.1(2) . . ?
C122 Co1 P103 121.0(2) . . ?
C122 Co1 P401 107.7(5) . . ?
C122 Co1 P402 162.0(5) . . ?
C122 Co1 P403 99.6(5) . . ?
C123 Co1 C121 66.7(3) . . ?
C123 Co1 C124 39.5(3) . . ?
C123 Co1 C125 66.3(3) . . ?
C123 Co1 P101 98.1(2) . . ?
C123 Co1 P102 108.1(2) . . ?
C123 Co1 P103 159.1(2) . . ?
C123 Co1 P401 88.1(5) . . ?
C123 Co1 P402 133.2(5) . . ?
C123 Co1 P403 133.2(5) . . ?
C124 Co1 C121 66.4(3) . . ?
C124 Co1 C125 39.3(3) . . ?
C124 Co1 P101 134.5(2) . . ?
C124 Co1 P102 87.8(2) . . ?
C124 Co1 P103 136.0(2) . . ?
C124 Co1 P401 107.6(4) . . ?
C124 Co1 P402 99.3(5) . . ?
C124 Co1 P403 163.3(5) . . ?
C125 Co1 P101 157.0(2) . . ?
C125 Co1 P102 105.8(2) . . ?
C125 Co1 P103 100.1(2) . . ?
C125 Co1 P401 146.8(5) . . ?
C125 Co1 P402 95.7(5) . . ?
C125 Co1 P403 128.0(5) . . ?
P101 Co1 P103 89.44(7) . . ?
P102 Co1 P101 94.92(7) . . ?
P102 Co1 P103 90.50(7) . . ?
P402 Co1 P401 86.6(6) . . ?
P403 Co1 P401 84.7(5) . . ?
P403 Co1 P402 92.5(6) . . ?
C22 Si1 C53 106.4(4) . . ?
C22 Si1 C57 107.7(4) . . ?
C22 Si1 C60 105.3(4) . . ?
C53 Si1 C57 110.3(4) . . ?
C53 Si1 C60 108.6(5) . . ?
C57 Si1 C60 117.9(5) . . ?
C24 Si2 C63 102.0(8) . . ?
C24 Si2 C67 105.6(8) . . ?
C24 Si2 C70 105.6(9) . . ?
C67 Si2 C63 118.1(11) . . ?
C70 Si2 C63 113.1(10) . . ?
C70 Si2 C67 110.9(9) . . ?
C1 N1 Dy1 124.0(3) . . ?
C1 N1 C4 106.7(4) . . ?
C4 N1 Dy1 124.8(3) . . ?
C6 N2 Dy1 124.9(3) . . ?
C9 N2 Dy1 121.0(3) . . ?
C9 N2 C6 105.9(4) . . ?
C11 N3 Dy1 122.9(3) . . ?
C11 N3 C14 106.0(4) . . ?
C14 N3 Dy1 126.0(3) . . ?
C16 N4 Dy1 125.0(3) . . ?
C19 N4 Dy1 123.1(3) . . ?
C19 N4 C16 106.4(4) . . ?
N1 C1 C2 109.7(4) . . ?
N1 C1 C20 125.7(5) . . ?
C20 C1 C2 124.5(5) . . ?
C1 C2 H2 126.5 . . ?
C3 C2 C1 106.9(5) . . ?
C3 C2 H2 126.5 . . ?
C2 C3 H3 126.1 . . ?
C2 C3 C4 107.8(5) . . ?
C4 C3 H3 126.1 . . ?
N1 C4 C3 108.8(4) . . ?
N1 C4 C5 125.7(4) . . ?
C5 C4 C3 125.3(5) . . ?
C4 C5 C25 115.4(4) . . ?
C6 C5 C4 126.2(5) . . ?
C6 C5 C25 118.2(4) . . ?
N2 C6 C5 124.1(4) . . ?
N2 C6 C7 110.0(4) . . ?
C5 C6 C7 125.9(5) . . ?
C6 C7 H7 126.3 . . ?
C8 C7 C6 107.4(5) . . ?
C8 C7 H7 126.3 . . ?
C7 C8 H8 126.8 . . ?
C7 C8 C9 106.4(5) . . ?
C9 C8 H8 126.8 . . ?
N2 C9 C8 110.3(4) . . ?
N2 C9 C10 124.6(4) . . ?
C10 C9 C8 125.0(4) . . ?
C9 C10 C11 127.5(5) . . ?
C9 C10 C23 116.9(5) . . ?
C11 C10 C23 115.4(5) . . ?
N3 C11 C10 124.3(5) . . ?
N3 C11 C12 110.3(4) . . ?
C10 C11 C12 125.3(5) . . ?
C11 C12 H12 126.6 . . ?
C13 C12 C11 106.8(5) . . ?
C13 C12 H12 126.6 . . ?
C12 C13 H13 126.1 . . ?
C12 C13 C14 107.7(5) . . ?
C14 C13 H13 126.1 . . ?
N3 C14 C13 109.1(4) . . ?
N3 C14 C15 125.9(5) . . ?
C15 C14 C13 125.0(5) . . ?
C14 C15 C39 116.6(5) . . ?
C16 C15 C14 126.0(5) . . ?
C16 C15 C39 117.2(4) . . ?
N4 C16 C15 124.3(4) . . ?
N4 C16 C17 108.9(4) . . ?
C15 C16 C17 126.5(5) . . ?
C16 C17 H17 126.1 . . ?
C18 C17 C16 107.8(5) . . ?
C18 C17 H17 126.1 . . ?
C17 C18 H18 126.5 . . ?
C17 C18 C19 106.9(5) . . ?
C19 C18 H18 126.5 . . ?
N4 C19 C18 109.9(4) . . ?
N4 C19 C20 124.9(5) . . ?
C20 C19 C18 124.9(5) . . ?
C1 C20 C21 115.4(5) . . ?
C19 C20 C1 127.2(5) . . ?
C19 C20 C21 117.3(5) . . ?
C22 C21 C20 174.7(6) . . ?
C21 C22 Si1 174.7(6) . . ?
C24 C23 C10 179.3(7) . . ?
C23 C24 Si2 175.5(8) . . ?
C23 C24 Si2A 171.8(9) . . ?
C23 C24 Si2B 165.7(10) . . ?
C26 C25 C5 119.5(5) . . ?
C26 C25 C30 119.3(5) . . ?
C30 C25 C5 121.1(5) . . ?
C25 C26 H26 119.5 . . ?
C25 C26 C27 121.0(5) . . ?
C27 C26 H26 119.5 . . ?
C26 C27 C31 118.8(5) . . ?
C28 C27 C26 117.8(5) . . ?
C28 C27 C31 123.3(5) . . ?
C27 C28 H28 118.4 . . ?
C27 C28 C29 123.2(5) . . ?
C29 C28 H28 118.4 . . ?
C28 C29 C30 117.2(5) . . ?
C28 C29 C35 121.9(5) . . ?
C30 C29 C35 120.8(6) . . ?
C25 C30 C29 121.5(5) . . ?
C25 C30 H30 119.3 . . ?
C29 C30 H30 119.3 . . ?
C27 C31 C33 108.6(5) . . ?
C27 C31 C34 111.2(5) . . ?
C32 C31 C27 110.7(5) . . ?
C32 C31 C33 108.9(6) . . ?
C32 C31 C34 107.8(5) . . ?
C34 C31 C33 109.7(5) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C31 C34 H34A 109.5 . . ?
C31 C34 H34B 109.5 . . ?
C31 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C36 C35 C29 108.8(6) . . ?
C36 C35 C37 108.2(6) . . ?
C36 C35 C38 110.7(8) . . ?
C37 C35 C29 112.0(6) . . ?
C38 C35 C29 111.8(6) . . ?
C38 C35 C37 105.3(7) . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C35 C38 H38A 109.5 . . ?
C35 C38 H38B 109.5 . . ?
C35 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C40 C39 C15 119.7(5) . . ?
C44 C39 C15 121.2(5) . . ?
C44 C39 C40 119.1(5) . . ?
C39 C40 H40 119.2 . . ?
C39 C40 C41 121.6(5) . . ?
C41 C40 H40 119.2 . . ?
C40 C41 C45 122.6(5) . . ?
C42 C41 C40 117.7(5) . . ?
C42 C41 C45 119.7(5) . . ?
C41 C42 H42 118.8 . . ?
C41 C42 C43 122.5(5) . . ?
C43 C42 H42 118.8 . . ?
C42 C43 C49 119.0(5) . . ?
C44 C43 C42 117.8(5) . . ?
C44 C43 C49 123.2(6) . . ?
C39 C44 C43 121.4(6) . . ?
C39 C44 H44 119.3 . . ?
C43 C44 H44 119.3 . . ?
C46 C45 C41 109.6(5) . . ?
C47 C45 C41 109.6(5) . . ?
C47 C45 C46 109.6(6) . . ?
C47 C45 C48 107.8(6) . . ?
C48 C45 C41 112.4(5) . . ?
C48 C45 C46 107.7(6) . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C45 C47 H47A 109.5 . . ?
C45 C47 H47B 109.5 . . ?
C45 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C45 C48 H48A 109.5 . . ?
C45 C48 H48B 109.5 . . ?
C45 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C50 C49 C43 110.8(6) . . ?
C51 C49 C43 112.6(6) . . ?
C51 C49 C50 107.2(8) . . ?
C51 C49 C52 110.1(8) . . ?
C52 C49 C43 108.7(6) . . ?
C52 C49 C50 107.3(7) . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C49 C51 H51A 109.5 . . ?
C49 C51 H51B 109.5 . . ?
C49 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C49 C52 H52A 109.5 . . ?
C49 C52 H52B 109.5 . . ?
C49 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
Si1 C53 H53A 109.3 . . ?
Si1 C53 H53B 109.3 . . ?
H53A C53 H53B 107.9 . . ?
C54 C53 Si1 111.7(7) . . ?
C54 C53 H53A 109.3 . . ?
C54 C53 H53B 109.3 . . ?
C53 C54 H54A 108.1 . . ?
C53 C54 H54B 108.1 . . ?
H54A C54 H54B 107.3 . . ?
C55 C54 C53 116.8(10) . . ?
C55 C54 H54A 108.1 . . ?
C55 C54 H54B 108.1 . . ?
C54 C55 H55A 106.7 . . ?
C54 C55 H55B 106.7 . . ?
C54 C55 C56 122.4(11) . . ?
H55A C55 H55B 106.6 . . ?
C56 C55 H55A 106.7 . . ?
C56 C55 H55B 106.7 . . ?
N5 C56 C55 173.8(14) . . ?
Si1 C57 H57 106.7 . . ?
C58 C57 Si1 112.0(6) . . ?
C58 C57 H57 106.7 . . ?
C58 C57 C59 109.6(10) . . ?
C59 C57 Si1 114.6(7) . . ?
C59 C57 H57 106.7 . . ?
C57 C58 H58A 109.5 . . ?
C57 C58 H58B 109.5 . . ?
C57 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C57 C59 H59A 109.5 . . ?
C57 C59 H59B 109.5 . . ?
C57 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
Si1 C60 H60 101.3 . . ?
C61 C60 Si1 116.6(7) . . ?
C61 C60 H60 101.3 . . ?
C61 C60 C62 118.7(9) . . ?
C62 C60 Si1 113.5(8) . . ?
C62 C60 H60 101.3 . . ?
C60 C61 H61A 109.5 . . ?
C60 C61 H61B 109.5 . . ?
C60 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C60 C62 H62A 109.5 . . ?
C60 C62 H62B 109.5 . . ?
C60 C62 H62C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
Si2 C63 H63A 106.7 . . ?
Si2 C63 H63B 106.7 . . ?
H63A C63 H63B 106.6 . . ?
C64 C63 Si2 122.4(16) . . ?
C64 C63 H63A 106.7 . . ?
C64 C63 H63B 106.7 . . ?
C63 C64 H64A 105.9 . . ?
C63 C64 H64B 105.9 . . ?
H64A C64 H64B 106.3 . . ?
C65 C64 C63 126(2) . . ?
C65 C64 H64A 105.9 . . ?
C65 C64 H64B 105.9 . . ?
C64 C65 H65A 97.4 . . ?
C64 C65 H65B 97.4 . . ?
H65A C65 H65B 103.6 . . ?
C66 C65 C64 156(2) . . ?
C66 C65 H65A 97.4 . . ?
C66 C65 H65B 97.4 . . ?
N6 C66 C65 172(3) . . ?
Si2 C67 H67 104.5 . . ?
C68 C67 Si2 112.7(14) . . ?
C68 C67 H67 104.5 . . ?
C68 C67 C69 117.3(16) . . ?
C69 C67 Si2 111.8(14) . . ?
C69 C67 H67 104.5 . . ?
C67 C68 H68A 109.5 . . ?
C67 C68 H68B 109.5 . . ?
C67 C68 H68C 109.5 . . ?
H68A C68 H68B 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C67 C69 H69A 109.5 . . ?
C67 C69 H69B 109.5 . . ?
C67 C69 H69C 109.5 . . ?
H69A C69 H69B 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
Si2 C70 H70 109.9 . . ?
C71 C70 Si2 120.8(16) . . ?
C71 C70 H70 109.9 . . ?
C71 C70 C72 94.3(17) . . ?
C72 C70 Si2 111.0(14) . . ?
C72 C70 H70 109.9 . . ?
C70 C71 H71A 109.5 . . ?
C70 C71 H71B 109.5 . . ?
C70 C71 H71C 109.5 . . ?
H71A C71 H71B 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C70 C72 H72A 109.5 . . ?
C70 C72 H72B 109.5 . . ?
C70 C72 H72C 109.5 . . ?
H72A C72 H72B 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
Co1 C121 H121 125.4 . . ?
C122 C121 Co1 69.7(4) . . ?
C122 C121 H121 126.2 . . ?
C122 C121 C125 107.6(7) . . ?
C125 C121 Co1 70.2(4) . . ?
C125 C121 H121 126.2 . . ?
Co1 C122 H122 124.8 . . ?
C121 C122 Co1 70.8(4) . . ?
C121 C122 H122 125.8 . . ?
C121 C122 C123 108.4(6) . . ?
C123 C122 Co1 70.2(4) . . ?
C123 C122 H122 125.8 . . ?
Co1 C123 H123 125.0 . . ?
C122 C123 Co1 69.8(4) . . ?
C122 C123 H123 126.3 . . ?
C124 C123 Co1 70.5(4) . . ?
C124 C123 C122 107.5(7) . . ?
C124 C123 H123 126.3 . . ?
Co1 C124 H124 125.3 . . ?
C123 C124 Co1 70.0(4) . . ?
C123 C124 H124 125.8 . . ?
C123 C124 C125 108.4(6) . . ?
C125 C124 Co1 70.5(4) . . ?
C125 C124 H124 125.8 . . ?
Co1 C125 H125 125.3 . . ?
C121 C125 Co1 70.1(4) . . ?
C121 C125 H125 125.9 . . ?
C124 C125 Co1 70.2(4) . . ?
C124 C125 C121 108.1(7) . . ?
C124 C125 H125 125.9 . . ?
O101 P101 Co1 119.17(18) . . ?
O101 P101 O104 108.5(3) . . ?
O101 P101 O105 109.1(3) . . ?
O104 P101 Co1 110.0(2) . . ?
O105 P101 Co1 107.4(2) . . ?
O105 P101 O104 101.2(3) . . ?
O102 P102 Co1 120.49(18) . . ?
O102 P102 O106 107.0(3) . . ?
O102 P102 O107 109.8(3) . . ?
O106 P102 Co1 111.5(2) . . ?
O107 P102 Co1 106.2(3) . . ?
O107 P102 O106 99.9(4) . . ?
O103 P103 Co1 118.85(18) . . ?
O103 P103 O108 108.4(3) . . ?
O103 P103 O109 109.0(3) . . ?
O108 P103 Co1 111.0(2) . . ?
O108 P103 O109 99.9(3) . . ?
O109 P103 Co1 107.9(2) . . ?
P101 O101 Dy1 135.5(2) . . ?
P102 O102 Dy1 135.7(2) . . ?
P103 O103 Dy1 136.4(2) . . ?
C101 O104 P101 123.4(5) . . ?
C103 O105 P101 120.9(6) . . ?
C105 O106 P102 120.0(5) . . ?
C107 O107 P102 120.1(6) . . ?
C109 O108 P103 122.5(6) . . ?
C111 O109 P103 120.2(5) . . ?
O104 C101 H10A 108.7 . . ?
O104 C101 H10B 108.7 . . ?
H10A C101 H10B 107.6 . . ?
C102 C101 O104 114.2(10) . . ?
C102 C101 H10A 108.7 . . ?
C102 C101 H10B 108.7 . . ?
C101 C102 H10C 109.5 . . ?
C101 C102 H10D 109.5 . . ?
C101 C102 H10E 109.5 . . ?
H10C C102 H10D 109.5 . . ?
H10C C102 H10E 109.5 . . ?
H10D C102 H10E 109.5 . . ?
O105 C103 H10F 109.3 . . ?
O105 C103 H10G 109.3 . . ?
O105 C103 C104 111.7(7) . . ?
H10F C103 H10G 107.9 . . ?
C104 C103 H10F 109.3 . . ?
C104 C103 H10G 109.3 . . ?
C103 C104 H10H 109.5 . . ?
C103 C104 H10I 109.5 . . ?
C103 C104 H10J 109.5 . . ?
H10H C104 H10I 109.5 . . ?
H10H C104 H10J 109.5 . . ?
H10I C104 H10J 109.5 . . ?
O106 C105 H10K 109.5 . . ?
O106 C105 H10L 109.5 . . ?
O106 C105 C106 110.7(8) . . ?
H10K C105 H10L 108.1 . . ?
C106 C105 H10K 109.5 . . ?
C106 C105 H10L 109.5 . . ?
C105 C106 H10M 109.5 . . ?
C105 C106 H10N 109.5 . . ?
C105 C106 H10O 109.5 . . ?
H10M C106 H10N 109.5 . . ?
H10M C106 H10O 109.5 . . ?
H10N C106 H10O 109.5 . . ?
O107 C107 H10P 109.9 . . ?
O107 C107 H10Q 109.9 . . ?
O107 C107 C108 109.1(8) . . ?
H10P C107 H10Q 108.3 . . ?
C108 C107 H10P 109.9 . . ?
C108 C107 H10Q 109.9 . . ?
C107 C108 H10R 109.5 . . ?
C107 C108 H10S 109.5 . . ?
C107 C108 H10T 109.5 . . ?
H10R C108 H10S 109.5 . . ?
H10R C108 H10T 109.5 . . ?
H10S C108 H10T 109.5 . . ?
O108 C109 H10U 109.5 . . ?
O108 C109 H10V 109.5 . . ?
O108 C109 C110 110.6(9) . . ?
H10U C109 H10V 108.1 . . ?
C110 C109 H10U 109.5 . . ?
C110 C109 H10V 109.5 . . ?
C109 C110 H11A 109.5 . . ?
C109 C110 H11B 109.5 . . ?
C109 C110 H11C 109.5 . . ?
H11A C110 H11B 109.5 . . ?
H11A C110 H11C 109.5 . . ?
H11B C110 H11C 109.5 . . ?
O109 C111 H11D 110.1 . . ?
O109 C111 H11E 110.1 . . ?
O109 C111 C112 108.0(7) . . ?
H11D C111 H11E 108.4 . . ?
C112 C111 H11D 110.1 . . ?
C112 C111 H11E 110.1 . . ?
C111 C112 H11F 109.5 . . ?
C111 C112 H11G 109.5 . . ?
C111 C112 H11H 109.5 . . ?
H11F C112 H11G 109.5 . . ?
H11F C112 H11H 109.5 . . ?
H11G C112 H11H 109.5 . . ?
O401 P401 Co1 119.4(14) . . ?
O401 P401 O404 112(2) . . ?
O401 P401 O405 110.6(18) . . ?
O404 P401 Co1 101.1(16) . . ?
O405 P401 Co1 111.8(19) . . ?
O405 P401 O404 100(2) . . ?
O402 P402 Co1 123.6(15) . . ?
O402 P402 O406 109(2) . . ?
O402 P402 O407 114.1(19) . . ?
O406 P402 Co1 110(2) . . ?
O407 P402 Co1 97.3(15) . . ?
O407 P402 O406 100(2) . . ?
O403 P403 Co1 119.1(14) . . ?
O403 P403 O408 109.8(19) . . ?
O403 P403 O409 105.4(18) . . ?
O408 P403 Co1 102(2) . . ?
O408 P403 O409 99(2) . . ?
O409 P403 Co1 119.8(17) . . ?
P401 O401 Dy1 133.1(18) . . ?
P402 O402 Dy1 132.6(19) . . ?
P403 O403 Dy1 135.6(18) . . ?
C401 O404 P401 127(3) . . ?
C403 O405 P401 121(3) . . ?
C405 O406 P402 121(3) . . ?
C407 O407 P402 121(3) . . ?
C409 O408 P403 127(3) . . ?
C411 O409 P403 118(3) . . ?
O404 C401 H40A 108.2 . . ?
O404 C401 H40B 108.2 . . ?
H40A C401 H40B 107.3 . . ?
C402 C401 O404 117(3) . . ?
C402 C401 H40A 108.2 . . ?
C402 C401 H40B 108.2 . . ?
C401 C402 H40C 109.5 . . ?
C401 C402 H40D 109.5 . . ?
C401 C402 H40E 109.5 . . ?
H40C C402 H40D 109.5 . . ?
H40C C402 H40E 109.5 . . ?
H40D C402 H40E 109.5 . . ?
O405 C403 H40F 110.5 . . ?
O405 C403 H40G 110.5 . . ?
O405 C403 C404 106(3) . . ?
H40F C403 H40G 108.7 . . ?
C404 C403 H40F 110.5 . . ?
C404 C403 H40G 110.5 . . ?
C403 C404 H40H 109.5 . . ?
C403 C404 H40I 109.5 . . ?
C403 C404 H40J 109.5 . . ?
H40H C404 H40I 109.5 . . ?
H40H C404 H40J 109.5 . . ?
H40I C404 H40J 109.5 . . ?
O406 C405 H40K 109.3 . . ?
O406 C405 H40L 109.3 . . ?
O406 C405 C406 112(3) . . ?
H40K C405 H40L 107.9 . . ?
C406 C405 H40K 109.3 . . ?
C406 C405 H40L 109.3 . . ?
C405 C406 H40M 109.5 . . ?
C405 C406 H40N 109.5 . . ?
C405 C406 H40O 109.5 . . ?
H40M C406 H40N 109.5 . . ?
H40M C406 H40O 109.5 . . ?
H40N C406 H40O 109.5 . . ?
O407 C407 H40P 111.2 . . ?
O407 C407 H40Q 111.2 . . ?
O407 C407 C408 103(3) . . ?
H40P C407 H40Q 109.1 . . ?
C408 C407 H40P 111.2 . . ?
C408 C407 H40Q 111.2 . . ?
C407 C408 H40R 109.5 . . ?
C407 C408 H40S 109.5 . . ?
C407 C408 H40T 109.5 . . ?
H40R C408 H40S 109.5 . . ?
H40R C408 H40T 109.5 . . ?
H40S C408 H40T 109.5 . . ?
O408 C409 H40U 109.2 . . ?
O408 C409 H40V 109.2 . . ?
O408 C409 C410 112(3) . . ?
H40U C409 H40V 107.9 . . ?
C410 C409 H40U 109.2 . . ?
C410 C409 H40V 109.2 . . ?
C409 C410 H41A 109.5 . . ?
C409 C410 H41B 109.5 . . ?
C409 C410 H41C 109.5 . . ?
H41A C410 H41B 109.5 . . ?
H41A C410 H41C 109.5 . . ?
H41B C410 H41C 109.5 . . ?
O409 C411 H41D 110.4 . . ?
O409 C411 H41E 110.4 . . ?
H41D C411 H41E 108.6 . . ?
C412 C411 O409 107(3) . . ?
C412 C411 H41D 110.4 . . ?
C412 C411 H41E 110.4 . . ?
C411 C412 H41F 109.5 . . ?
C411 C412 H41G 109.5 . . ?
C411 C412 H41H 109.5 . . ?
H41F C412 H41G 109.5 . . ?
H41F C412 H41H 109.5 . . ?
H41G C412 H41H 109.5 . . ?
N201 Dy21 N202 74.95(16) . . ?
N201 Dy21 N203 118.21(15) . . ?
N201 Dy21 N204 76.02(15) . . ?
N202 Dy21 N203 76.20(15) . . ?
N204 Dy21 N202 120.55(16) . . ?
N204 Dy21 N203 73.82(15) . . ?
O301 Dy21 N201 75.2(2) . . ?
O301 Dy21 N202 104.6(2) . . ?
O301 Dy21 N203 165.7(2) . . ?
O301 Dy21 N204 116.4(2) . . ?
O301 Dy21 O303 78.6(3) . . ?
O302 Dy21 N201 138.7(3) . . ?
O302 Dy21 N202 81.2(2) . . ?
O302 Dy21 N203 87.2(2) . . ?
O302 Dy21 N204 145.1(3) . . ?
O302 Dy21 O301 78.9(3) . . ?
O302 Dy21 O303 78.5(3) . . ?
O303 Dy21 N201 125.8(2) . . ?
O303 Dy21 N202 158.4(2) . . ?
O303 Dy21 N203 95.6(2) . . ?
O303 Dy21 N204 74.6(2) . . ?
O501 Dy21 N201 88.4(3) . . ?
O501 Dy21 N202 77.4(3) . . ?
O501 Dy21 N203 135.2(3) . . ?
O501 Dy21 N204 150.8(3) . . ?
O501 Dy21 O502 77.9(3) . . ?
O502 Dy21 N201 166.2(3) . . ?
O502 Dy21 N202 103.5(3) . . ?
O502 Dy21 N203 74.0(3) . . ?
O502 Dy21 N204 115.4(3) . . ?
O503 Dy21 N201 93.9(3) . . ?
O503 Dy21 N202 152.8(3) . . ?
O503 Dy21 N203 130.1(3) . . ?
O503 Dy21 N204 79.1(3) . . ?
O503 Dy21 O501 77.6(4) . . ?
O503 Dy21 O502 81.3(3) . . ?
C321 Co21 C324 64.9(3) . . ?
C321 Co21 C325 38.0(3) . . ?
C321 Co21 P301 135.0(3) . . ?
C321 Co21 P302 132.5(3) . . ?
C321 Co21 P303 89.1(3) . . ?
C321 Co21 P501 158.7(3) . . ?
C321 Co21 P502 104.1(3) . . ?
C321 Co21 P503 103.4(3) . . ?
C322 Co21 C321 40.6(4) . . ?
C322 Co21 C323 40.2(3) . . ?
C322 Co21 C324 67.0(4) . . ?
C322 Co21 C325 66.5(4) . . ?
C322 Co21 P301 155.5(3) . . ?
C322 Co21 P302 97.0(3) . . ?
C322 Co21 P303 110.6(3) . . ?
C322 Co21 P501 125.1(3) . . ?
C322 Co21 P502 88.9(3) . . ?
C322 Co21 P503 142.7(3) . . ?
C323 Co21 C321 66.3(3) . . ?
C323 Co21 C324 39.6(3) . . ?
C323 Co21 C325 65.6(3) . . ?
C323 Co21 P301 116.4(3) . . ?
C323 Co21 P302 95.5(2) . . ?
C323 Co21 P303 150.7(3) . . ?
C323 Co21 P501 93.1(3) . . ?
C323 Co21 P502 114.5(3) . . ?
C323 Co21 P503 151.5(3) . . ?
C324 Co21 C325 38.5(3) . . ?
C324 Co21 P301 89.2(3) . . ?
C324 Co21 P302 127.3(2) . . ?
C324 Co21 P303 142.9(2) . . ?
C324 Co21 P501 96.0(3) . . ?
C324 Co21 P502 153.7(3) . . ?
C324 Co21 P503 111.9(3) . . ?
C325 Co21 P301 99.2(3) . . ?
C325 Co21 P302 160.8(3) . . ?
C325 Co21 P303 105.0(3) . . ?
C325 Co21 P501 129.6(3) . . ?
C325 Co21 P502 141.0(3) . . ?
C325 Co21 P503 89.6(3) . . ?
P301 Co21 P302 92.50(14) . . ?
P301 Co21 P303 92.02(13) . . ?
P302 Co21 P303 89.64(13) . . ?
P502 Co21 P501 89.15(15) . . ?
P503 Co21 P501 92.17(15) . . ?
P503 Co21 P502 93.56(15) . . ?
C222 Si21 C253 107.7(3) . . ?
C222 Si21 C257 107.0(3) . . ?
C222 Si21 C260 105.7(3) . . ?
C253 Si21 C257 108.1(3) . . ?
C260 Si21 C253 114.6(4) . . ?
C260 Si21 C257 113.4(4) . . ?
C224 Si22 C263 106.4(4) . . ?
C224 Si22 C267 107.9(5) . . ?
C224 Si22 C270 108.2(5) . . ?
C263 Si22 C267 110.4(5) . . ?
C263 Si22 C270 113.5(5) . . ?
C270 Si22 C267 110.1(7) . . ?
C201 N201 Dy21 120.6(3) . . ?
C201 N201 C204 106.6(4) . . ?
C204 N201 Dy21 125.8(4) . . ?
C206 N202 Dy21 126.5(4) . . ?
C209 N202 Dy21 122.4(4) . . ?
C209 N202 C206 106.8(5) . . ?
C211 N203 Dy21 120.0(4) . . ?
C211 N203 C214 106.7(5) . . ?
C214 N203 Dy21 125.3(4) . . ?
C216 N204 Dy21 125.9(4) . . ?
C219 N204 Dy21 121.1(3) . . ?
C219 N204 C216 106.5(5) . . ?
N201 C201 C202 110.1(5) . . ?
N201 C201 C220 125.2(5) . . ?
C220 C201 C202 124.6(5) . . ?
C201 C202 H202 126.5 . . ?
C203 C202 C201 107.0(5) . . ?
C203 C202 H202 126.5 . . ?
C202 C203 H203 126.0 . . ?
C202 C203 C204 108.0(5) . . ?
C204 C203 H203 126.0 . . ?
N201 C204 C203 108.4(5) . . ?
N201 C204 C205 125.4(5) . . ?
C205 C204 C203 126.2(5) . . ?
C204 C205 C225 116.2(5) . . ?
C206 C205 C204 126.0(5) . . ?
C206 C205 C225 117.7(5) . . ?
N202 C206 C205 125.4(5) . . ?
N202 C206 C207 108.8(5) . . ?
C205 C206 C207 125.7(5) . . ?
C206 C207 H207 126.5 . . ?
C208 C207 C206 107.0(5) . . ?
C208 C207 H207 126.5 . . ?
C207 C208 H208 126.2 . . ?
C207 C208 C209 107.6(6) . . ?
C209 C208 H208 126.2 . . ?
N202 C209 C208 109.8(5) . . ?
N202 C209 C210 124.0(5) . . ?
C210 C209 C208 125.9(5) . . ?
C209 C210 C223 116.1(5) . . ?
C211 C210 C209 127.8(6) . . ?
C211 C210 C223 115.9(5) . . ?
N203 C211 C210 125.7(5) . . ?
N203 C211 C212 109.3(5) . . ?
C210 C211 C212 125.0(5) . . ?
C211 C212 H212 126.3 . . ?
C213 C212 C211 107.4(5) . . ?
C213 C212 H212 126.3 . . ?
C212 C213 H213 126.4 . . ?
C212 C213 C214 107.1(5) . . ?
C214 C213 H213 126.4 . . ?
N203 C214 C213 109.5(5) . . ?
N203 C214 C215 125.2(5) . . ?
C215 C214 C213 125.3(5) . . ?
C214 C215 C239 116.5(5) . . ?
C216 C215 C214 125.1(5) . . ?
C216 C215 C239 118.4(5) . . ?
N204 C216 C215 125.5(5) . . ?
N204 C216 C217 109.6(5) . . ?
C215 C216 C217 124.9(5) . . ?
C216 C217 H217 126.7 . . ?
C218 C217 C216 106.6(5) . . ?
C218 C217 H217 126.7 . . ?
C217 C218 H218 126.4 . . ?
C217 C218 C219 107.1(5) . . ?
C219 C218 H218 126.4 . . ?
N204 C219 C218 110.2(5) . . ?
N204 C219 C220 125.2(5) . . ?
C220 C219 C218 124.5(5) . . ?
C201 C220 C219 126.5(5) . . ?
C201 C220 C221 116.1(5) . . ?
C219 C220 C221 117.3(5) . . ?
C222 C221 C220 177.9(6) . . ?
C221 C222 Si21 172.9(6) . . ?
C224 C223 C210 179.6(8) . . ?
C223 C224 Si22 176.0(7) . . ?
C226 C225 C205 119.4(5) . . ?
C226 C225 C230 118.7(6) . . ?
C230 C225 C205 121.9(6) . . ?
C225 C226 H226 119.0 . . ?
C225 C226 C227 122.1(6) . . ?
C227 C226 H226 119.0 . . ?
C226 C227 C231 119.3(6) . . ?
C228 C227 C226 117.2(6) . . ?
C228 C227 C231 123.4(6) . . ?
C227 C228 H228 118.5 . . ?
C227 C228 C229 122.9(6) . . ?
C229 C228 H228 118.5 . . ?
C228 C229 C230 118.1(6) . . ?
C228 C229 C235 121.1(6) . . ?
C230 C229 C235 120.8(7) . . ?
C225 C230 C229 120.9(6) . . ?
C225 C230 H230 119.5 . . ?
C229 C230 H230 119.5 . . ?
C232 C231 C227 108.8(8) . . ?
C233 C231 C227 113.0(7) . . ?
C233 C231 C232 104.7(9) . . ?
C233 C231 C234 111.1(9) . . ?
C234 C231 C227 110.4(8) . . ?
C234 C231 C232 108.6(9) . . ?
C231 C232 H23A 109.5 . . ?
C231 C232 H23B 109.5 . . ?
C231 C232 H23C 109.5 . . ?
H23A C232 H23B 109.5 . . ?
H23A C232 H23C 109.5 . . ?
H23B C232 H23C 109.5 . . ?
C231 C233 H23D 109.5 . . ?
C231 C233 H23E 109.5 . . ?
C231 C233 H23F 109.5 . . ?
H23D C233 H23E 109.5 . . ?
H23D C233 H23F 109.5 . . ?
H23E C233 H23F 109.5 . . ?
C231 C234 H23G 109.5 . . ?
C231 C234 H23H 109.5 . . ?
C231 C234 H23I 109.5 . . ?
H23G C234 H23H 109.5 . . ?
H23G C234 H23I 109.5 . . ?
H23H C234 H23I 109.5 . . ?
C229 C235 C236 108.6(8) . . ?
C237 C235 C229 109.9(8) . . ?
C237 C235 C236 102.6(9) . . ?
C238 C235 C229 113.7(7) . . ?
C238 C235 C236 108.7(9) . . ?
C238 C235 C237 112.6(10) . . ?
C235 C236 H23J 109.5 . . ?
C235 C236 H23K 109.5 . . ?
C235 C236 H23L 109.5 . . ?
H23J C236 H23K 109.5 . . ?
H23J C236 H23L 109.5 . . ?
H23K C236 H23L 109.5 . . ?
C235 C237 H23M 109.5 . . ?
C235 C237 H23N 109.5 . . ?
C235 C237 H23O 109.5 . . ?
H23M C237 H23N 109.5 . . ?
H23M C237 H23O 109.5 . . ?
H23N C237 H23O 109.5 . . ?
C235 C238 H23P 109.5 . . ?
C235 C238 H23Q 109.5 . . ?
C235 C238 H23R 109.5 . . ?
H23P C238 H23Q 109.5 . . ?
H23P C238 H23R 109.5 . . ?
H23Q C238 H23R 109.5 . . ?
C240 C239 C215 120.6(5) . . ?
C240 C239 C244 119.1(5) . . ?
C244 C239 C215 120.3(5) . . ?
C239 C240 H240 119.3 . . ?
C239 C240 C241 121.4(5) . . ?
C241 C240 H240 119.3 . . ?
C240 C241 C245 121.6(5) . . ?
C242 C241 C240 117.4(5) . . ?
C242 C241 C245 121.0(5) . . ?
C241 C242 H242 118.4 . . ?
C243 C242 C241 123.2(5) . . ?
C243 C242 H242 118.4 . . ?
C242 C243 C244 117.5(5) . . ?
C242 C243 C249 120.0(5) . . ?
C244 C243 C249 122.4(5) . . ?
C239 C244 H244 119.3 . . ?
C243 C244 C239 121.4(5) . . ?
C243 C244 H244 119.3 . . ?
C241 C245 C248 111.5(6) . . ?
C246 C245 C241 107.7(6) . . ?
C246 C245 C247 108.1(7) . . ?
C246 C245 C248 110.4(8) . . ?
C247 C245 C241 112.2(5) . . ?
C247 C245 C248 106.9(7) . . ?
C245 C246 H24A 109.5 . . ?
C245 C246 H24B 109.5 . . ?
C245 C246 H24C 109.5 . . ?
H24A C246 H24B 109.5 . . ?
H24A C246 H24C 109.5 . . ?
H24B C246 H24C 109.5 . . ?
C245 C247 H24D 109.5 . . ?
C245 C247 H24E 109.5 . . ?
C245 C247 H24F 109.5 . . ?
H24D C247 H24E 109.5 . . ?
H24D C247 H24F 109.5 . . ?
H24E C247 H24F 109.5 . . ?
C245 C248 H24G 109.5 . . ?
C245 C248 H24H 109.5 . . ?
C245 C248 H24I 109.5 . . ?
H24G C248 H24H 109.5 . . ?
H24G C248 H24I 109.5 . . ?
H24H C248 H24I 109.5 . . ?
C250 C249 C243 109.7(5) . . ?
C251 C249 C243 112.2(5) . . ?
C251 C249 C250 107.1(6) . . ?
C252 C249 C243 108.7(6) . . ?
C252 C249 C250 109.8(6) . . ?
C252 C249 C251 109.3(7) . . ?
C249 C250 H25A 109.5 . . ?
C249 C250 H25B 109.5 . . ?
C249 C250 H25C 109.5 . . ?
H25A C250 H25B 109.5 . . ?
H25A C250 H25C 109.5 . . ?
H25B C250 H25C 109.5 . . ?
C249 C251 H25D 109.5 . . ?
C249 C251 H25E 109.5 . . ?
C249 C251 H25F 109.5 . . ?
H25D C251 H25E 109.5 . . ?
H25D C251 H25F 109.5 . . ?
H25E C251 H25F 109.5 . . ?
C249 C252 H25G 109.5 . . ?
C249 C252 H25H 109.5 . . ?
C249 C252 H25I 109.5 . . ?
H25G C252 H25H 109.5 . . ?
H25G C252 H25I 109.5 . . ?
H25H C252 H25I 109.5 . . ?
Si21 C253 H25J 107.6 . . ?
Si21 C253 H25K 107.6 . . ?
H25J C253 H25K 107.0 . . ?
C254 C253 Si21 118.8(6) . . ?
C254 C253 H25J 107.6 . . ?
C254 C253 H25K 107.6 . . ?
C253 C254 H25L 109.0 . . ?
C253 C254 H25M 109.0 . . ?
H25L C254 H25M 107.8 . . ?
C255 C254 C253 113.0(7) . . ?
C255 C254 H25L 109.0 . . ?
C255 C254 H25M 109.0 . . ?
C254 C255 H25N 108.2 . . ?
C254 C255 H25O 108.2 . . ?
C254 C255 C256 116.6(9) . . ?
H25N C255 H25O 107.3 . . ?
C256 C255 H25N 108.2 . . ?
C256 C255 H25O 108.2 . . ?
N205 C256 C255 173.9(16) . . ?
Si21 C257 H257 106.6 . . ?
C258 C257 Si21 114.5(6) . . ?
C258 C257 H257 106.6 . . ?
C258 C257 C259 111.2(7) . . ?
C259 C257 Si21 110.8(5) . . ?
C259 C257 H257 106.6 . . ?
C257 C258 H25P 109.5 . . ?
C257 C258 H25Q 109.5 . . ?
C257 C258 H25R 109.5 . . ?
H25P C258 H25Q 109.5 . . ?
H25P C258 H25R 109.5 . . ?
H25Q C258 H25R 109.5 . . ?
C257 C259 H25S 109.5 . . ?
C257 C259 H25T 109.5 . . ?
C257 C259 H25U 109.5 . . ?
H25S C259 H25T 109.5 . . ?
H25S C259 H25U 109.5 . . ?
H25T C259 H25U 109.5 . . ?
Si21 C260 H260 107.7 . . ?
C261 C260 Si21 111.4(6) . . ?
C261 C260 H260 107.7 . . ?
C261 C260 C262 111.5(8) . . ?
C262 C260 Si21 110.5(6) . . ?
C262 C260 H260 107.7 . . ?
C260 C261 H26A 109.5 . . ?
C260 C261 H26B 109.5 . . ?
C260 C261 H26C 109.5 . . ?
H26A C261 H26B 109.5 . . ?
H26A C261 H26C 109.5 . . ?
H26B C261 H26C 109.5 . . ?
C260 C262 H26D 109.5 . . ?
C260 C262 H26E 109.5 . . ?
C260 C262 H26F 109.5 . . ?
H26D C262 H26E 109.5 . . ?
H26D C262 H26F 109.5 . . ?
H26E C262 H26F 109.5 . . ?
Si22 C263 H26G 108.7 . . ?
Si22 C263 H26H 108.7 . . ?
H26G C263 H26H 107.6 . . ?
C264 C263 Si22 114.3(6) . . ?
C264 C263 H26G 108.7 . . ?
C264 C263 H26H 108.7 . . ?
C263 C264 H26I 109.5 . . ?
C263 C264 H26J 109.5 . . ?
C263 C264 C265 110.6(7) . . ?
H26I C264 H26J 108.1 . . ?
C265 C264 H26I 109.5 . . ?
C265 C264 H26J 109.5 . . ?
C264 C265 H26K 108.5 . . ?
C264 C265 H26L 108.5 . . ?
H26K C265 H26L 107.5 . . ?
C266 C265 C264 114.9(8) . . ?
C266 C265 H26K 108.5 . . ?
C266 C265 H26L 108.5 . . ?
N206 C266 C265 172.8(12) . . ?
Si22 C267 H267 99.9 . . ?
C268 C267 Si22 119.8(9) . . ?
C268 C267 H267 99.9 . . ?
C268 C267 C269 123.8(11) . . ?
C269 C267 Si22 107.6(9) . . ?
C269 C267 H267 99.9 . . ?
C267 C268 H26M 109.5 . . ?
C267 C268 H26N 109.5 . . ?
C267 C268 H26O 109.5 . . ?
H26M C268 H26N 109.5 . . ?
H26M C268 H26O 109.5 . . ?
H26N C268 H26O 109.5 . . ?
C267 C269 H26P 109.5 . . ?
C267 C269 H26Q 109.5 . . ?
C267 C269 H26R 109.5 . . ?
H26P C269 H26Q 109.5 . . ?
H26P C269 H26R 109.5 . . ?
H26Q C269 H26R 109.5 . . ?
Si22 C270 H270 108.9 . . ?
C271 C270 Si22 121.6(11) . . ?
C271 C270 H270 108.9 . . ?
C271 C270 C272 103.3(13) . . ?
C272 C270 Si22 104.6(10) . . ?
C272 C270 H270 108.9 . . ?
C270 C271 H27A 109.5 . . ?
C270 C271 H27B 109.5 . . ?
C270 C271 H27C 109.5 . . ?
H27A C271 H27B 109.5 . . ?
H27A C271 H27C 109.5 . . ?
H27B C271 H27C 109.5 . . ?
C270 C272 H27D 109.5 . . ?
C270 C272 H27E 109.5 . . ?
C270 C272 H27F 109.5 . . ?
H27D C272 H27E 109.5 . . ?
H27D C272 H27F 109.5 . . ?
H27E C272 H27F 109.5 . . ?
Co21 C321 H321 124.8 . . ?
C322 C321 Co21 69.5(4) . . ?
C322 C321 H321 125.2 . . ?
C325 C321 Co21 72.1(5) . . ?
C325 C321 H321 125.2 . . ?
C325 C321 C322 109.7(9) . . ?
Co21 C322 H322 124.2 . . ?
C321 C322 Co21 69.9(5) . . ?
C321 C322 H322 127.6 . . ?
C323 C322 Co21 70.0(4) . . ?
C323 C322 C321 104.9(9) . . ?
C323 C322 H322 127.6 . . ?
Co21 C323 H323 125.0 . . ?
C322 C323 Co21 69.8(4) . . ?
C322 C323 H323 125.9 . . ?
C324 C323 Co21 70.9(4) . . ?
C324 C323 C322 108.2(8) . . ?
C324 C323 H323 125.9 . . ?
Co21 C324 H324 125.0 . . ?
C323 C324 Co21 69.5(4) . . ?
C323 C324 H324 125.9 . . ?
C325 C324 Co21 71.2(5) . . ?
C325 C324 C323 108.1(8) . . ?
C325 C324 H324 125.9 . . ?
Co21 C325 H325 125.9 . . ?
C321 C325 Co21 69.9(5) . . ?
C321 C325 C324 109.1(9) . . ?
C321 C325 H325 125.4 . . ?
C324 C325 Co21 70.3(4) . . ?
C324 C325 H325 125.4 . . ?
O301 P301 Co21 118.5(4) . . ?
O301 P301 O304 113.4(7) . . ?
O301 P301 O305 108.2(6) . . ?
O304 P301 Co21 103.9(6) . . ?
O305 P301 Co21 112.0(6) . . ?
O305 P301 O304 99.0(8) . . ?
O302 P302 Co21 120.3(4) . . ?
O302 P302 O306 107.6(6) . . ?
O302 P302 O307 110.3(7) . . ?
O306 P302 Co21 109.6(5) . . ?
O307 P302 Co21 107.9(6) . . ?
O307 P302 O306 99.1(7) . . ?
O303 P303 Co21 119.4(3) . . ?
O303 P303 O308 109.6(5) . . ?
O303 P303 O309 106.7(6) . . ?
O308 P303 Co21 108.1(5) . . ?
O308 P303 O309 102.6(6) . . ?
O309 P303 Co21 109.2(5) . . ?
P301 O301 Dy21 137.0(5) . . ?
P302 O302 Dy21 135.3(5) . . ?
P303 O303 Dy21 134.0(5) . . ?
C301 O304 P301 103.9(12) . . ?
C303 O305 P301 134.0(11) . . ?
C305 O306 P302 118.1(11) . . ?
C307 O307 P302 122.8(12) . . ?
C309 O308 P303 121.0(11) . . ?
C311 O309 P303 122.4(10) . . ?
O304 C301 H30A 108.2 . . ?
O304 C301 H30B 108.2 . . ?
O304 C301 C302 116.5(17) . . ?
H30A C301 H30B 107.3 . . ?
C302 C301 H30A 108.2 . . ?
C302 C301 H30B 108.2 . . ?
C301 C302 H30C 109.5 . . ?
C301 C302 H30D 109.5 . . ?
C301 C302 H30E 109.5 . . ?
H30C C302 H30D 109.5 . . ?
H30C C302 H30E 109.5 . . ?
H30D C302 H30E 109.5 . . ?
O305 C303 H30F 109.6 . . ?
O305 C303 H30G 109.6 . . ?
O305 C303 C304 110.5(18) . . ?
H30F C303 H30G 108.1 . . ?
C304 C303 H30F 109.6 . . ?
C304 C303 H30G 109.6 . . ?
C303 C304 H30H 109.5 . . ?
C303 C304 H30I 109.5 . . ?
C303 C304 H30J 109.5 . . ?
H30H C304 H30I 109.5 . . ?
H30H C304 H30J 109.5 . . ?
H30I C304 H30J 109.5 . . ?
O306 C305 H30K 109.1 . . ?
O306 C305 H30L 109.1 . . ?
O306 C305 C306 112.3(15) . . ?
H30K C305 H30L 107.9 . . ?
C306 C305 H30K 109.1 . . ?
C306 C305 H30L 109.1 . . ?
C305 C306 H30M 109.5 . . ?
C305 C306 H30N 109.5 . . ?
C305 C306 H30O 109.5 . . ?
H30M C306 H30N 109.5 . . ?
H30M C306 H30O 109.5 . . ?
H30N C306 H30O 109.5 . . ?
O307 C307 H30P 110.6 . . ?
O307 C307 H30Q 110.6 . . ?
O307 C307 C308 105.6(15) . . ?
H30P C307 H30Q 108.8 . . ?
C308 C307 H30P 110.6 . . ?
C308 C307 H30Q 110.6 . . ?
C307 C308 H30R 109.5 . . ?
C307 C308 H30S 109.5 . . ?
C307 C308 H30T 109.5 . . ?
H30R C308 H30S 109.5 . . ?
H30R C308 H30T 109.5 . . ?
H30S C308 H30T 109.5 . . ?
O308 C309 H30U 109.4 . . ?
O308 C309 H30V 109.4 . . ?
H30U C309 H30V 108.0 . . ?
C310 C309 O308 111.2(16) . . ?
C310 C309 H30U 109.4 . . ?
C310 C309 H30V 109.4 . . ?
C309 C310 H31A 109.5 . . ?
C309 C310 H31B 109.5 . . ?
C309 C310 H31C 109.5 . . ?
H31A C310 H31B 109.5 . . ?
H31A C310 H31C 109.5 . . ?
H31B C310 H31C 109.5 . . ?
O309 C311 H31D 112.7 . . ?
O309 C311 H31E 112.7 . . ?
H31D C311 H31E 110.2 . . ?
C312 C311 O309 95.1(12) . . ?
C312 C311 H31D 112.7 . . ?
C312 C311 H31E 112.7 . . ?
C311 C312 H31F 109.5 . . ?
C311 C312 H31G 109.5 . . ?
C311 C312 H31H 109.5 . . ?
H31F C312 H31G 109.5 . . ?
H31F C312 H31H 109.5 . . ?
H31G C312 H31H 109.5 . . ?
O501 P501 Co21 119.1(4) . . ?
O501 P501 O504 111.7(6) . . ?
O501 P501 O505 106.8(7) . . ?
O504 P501 Co21 105.7(4) . . ?
O505 P501 Co21 113.2(6) . . ?
O505 P501 O504 98.5(7) . . ?
O502 P502 Co21 120.6(4) . . ?
O502 P502 O506 107.8(8) . . ?
O502 P502 O507 107.7(6) . . ?
O506 P502 Co21 110.2(7) . . ?
O507 P502 Co21 110.9(6) . . ?
O507 P502 O506 96.9(8) . . ?
O503 P503 Co21 119.8(4) . . ?
O503 P503 O508 107.6(8) . . ?
O503 P503 O509 103.8(7) . . ?
O508 P503 Co21 106.1(6) . . ?
O508 P503 O509 100.9(8) . . ?
O509 P503 Co21 116.8(5) . . ?
P501 O501 Dy21 135.5(5) . . ?
P502 O502 Dy21 135.0(6) . . ?
P503 O503 Dy21 139.6(6) . . ?
C501 O504 P501 116.8(10) . . ?
C503 O505 P501 125.6(15) . . ?
C505 O506 P502 123.7(14) . . ?
C507 O507 P502 124.4(11) . . ?
C509 O508 P503 145.9(14) . . ?
C511 O509 P503 131.9(12) . . ?
O504 C501 H50D 110.0 . . ?
O504 C501 H50E 110.0 . . ?
O504 C501 C502 108.5(19) . . ?
H50D C501 H50E 108.4 . . ?
C502 C501 H50D 110.0 . . ?
C502 C501 H50E 110.0 . . ?
C501 C502 H50F 109.5 . . ?
C501 C502 H50G 109.5 . . ?
C501 C502 H50H 109.5 . . ?
H50F C502 H50G 109.5 . . ?
H50F C502 H50H 109.5 . . ?
H50G C502 H50H 109.5 . . ?
O505 C503 H50I 108.5 . . ?
O505 C503 H50J 108.5 . . ?
O505 C503 C504 115.1(18) . . ?
H50I C503 H50J 107.5 . . ?
C504 C503 H50I 108.5 . . ?
C504 C503 H50J 108.5 . . ?
C503 C504 H50K 109.5 . . ?
C503 C504 H50L 109.5 . . ?
C503 C504 H50M 109.5 . . ?
H50K C504 H50L 109.5 . . ?
H50K C504 H50M 109.5 . . ?
H50L C504 H50M 109.5 . . ?
O506 C505 H50N 110.2 . . ?
O506 C505 H50O 110.2 . . ?
O506 C505 C506 107.6(18) . . ?
H50N C505 H50O 108.5 . . ?
C506 C505 H50N 110.2 . . ?
C506 C505 H50O 110.2 . . ?
C505 C506 H50P 109.5 . . ?
C505 C506 H50Q 109.5 . . ?
C505 C506 H50R 109.5 . . ?
H50P C506 H50Q 109.5 . . ?
H50P C506 H50R 109.5 . . ?
H50Q C506 H50R 109.5 . . ?
O507 C507 H50S 110.2 . . ?
O507 C507 H50T 110.2 . . ?
O507 C507 C508 107.6(13) . . ?
H50S C507 H50T 108.5 . . ?
C508 C507 H50S 110.2 . . ?
C508 C507 H50T 110.2 . . ?
C507 C508 H50U 109.5 . . ?
C507 C508 H50V 109.5 . . ?
C507 C508 H50W 109.5 . . ?
H50U C508 H50V 109.5 . . ?
H50U C508 H50W 109.5 . . ?
H50V C508 H50W 109.5 . . ?
O508 C509 H50X 111.3 . . ?
O508 C509 H50Y 111.3 . . ?
H50X C509 H50Y 109.2 . . ?
C510 C509 O508 102.4(15) . . ?
C510 C509 H50X 111.3 . . ?
C510 C509 H50Y 111.3 . . ?
C509 C510 H51D 109.5 . . ?
C509 C510 H51E 109.5 . . ?
C509 C510 H51F 109.5 . . ?
H51D C510 H51E 109.5 . . ?
H51D C510 H51F 109.5 . . ?
H51E C510 H51F 109.5 . . ?
O509 C511 H51G 110.9 . . ?
O509 C511 H51H 110.9 . . ?
O509 C511 C512 104.3(16) . . ?
H51G C511 H51H 108.9 . . ?
C512 C511 H51G 110.9 . . ?
C512 C511 H51H 110.9 . . ?
C511 C512 H51I 109.5 . . ?
C511 C512 H51J 109.5 . . ?
C511 C512 H51K 109.5 . . ?
H51I C512 H51J 109.5 . . ?
H51I C512 H51K 109.5 . . ?
H51J C512 H51K 109.5 . . ?
C24 Si2A C63A 111.7(11) . . ?
C24 Si2A C67A 103.4(8) . . ?
C24 Si2A C70A 111.9(10) . . ?
C67A Si2A C63A 112.2(10) . . ?
C70A Si2A C63A 104.2(10) . . ?
C70A Si2A C67A 113.6(10) . . ?
Si2A C63A H63C 108.0 . . ?
Si2A C63A H63D 108.0 . . ?
H63C C63A H63D 107.2 . . ?
C64A C63A Si2A 117.3(14) . . ?
C64A C63A H63C 108.0 . . ?
C64A C63A H63D 108.0 . . ?
C63A C64A H64C 108.4 . . ?
C63A C64A H64D 108.4 . . ?
C63A C64A C65A 115(2) . . ?
H64C C64A H64D 107.5 . . ?
C65A C64A H64C 108.4 . . ?
C65A C64A H64D 108.4 . . ?
C64A C65A H65C 104.1 . . ?
C64A C65A H65D 104.1 . . ?
H65C C65A H65D 105.5 . . ?
C66A C65A C64A 132(2) . . ?
C66A C65A H65C 104.1 . . ?
C66A C65A H65D 104.1 . . ?
N6A C66A C65A 160(4) . . ?
Si2A C67A H67A 108.4 . . ?
C68A C67A Si2A 115.6(14) . . ?
C68A C67A H67A 108.4 . . ?
C69A C67A Si2A 109.2(14) . . ?
C69A C67A H67A 108.4 . . ?
C69A C67A C68A 106.5(17) . . ?
C67A C68A H68D 109.5 . . ?
C67A C68A H68E 109.5 . . ?
C67A C68A H68F 109.5 . . ?
H68D C68A H68E 109.5 . . ?
H68D C68A H68F 109.5 . . ?
H68E C68A H68F 109.5 . . ?
C67A C69A H69D 109.5 . . ?
C67A C69A H69E 109.5 . . ?
C67A C69A H69F 109.5 . . ?
H69D C69A H69E 109.5 . . ?
H69D C69A H69F 109.5 . . ?
H69E C69A H69F 109.5 . . ?
Si2A C70A H70A 106.2 . . ?
C71A C70A Si2A 118.4(16) . . ?
C71A C70A H70A 106.2 . . ?
C71A C70A C72A 107.1(19) . . ?
C72A C70A Si2A 112.0(15) . . ?
C72A C70A H70A 106.2 . . ?
C70A C71A H71D 109.5 . . ?
C70A C71A H71E 109.5 . . ?
C70A C71A H71F 109.5 . . ?
H71D C71A H71E 109.5 . . ?
H71D C71A H71F 109.5 . . ?
H71E C71A H71F 109.5 . . ?
C70A C72A H72D 109.5 . . ?
C70A C72A H72E 109.5 . . ?
C70A C72A H72F 109.5 . . ?
H72D C72A H72E 109.5 . . ?
H72D C72A H72F 109.5 . . ?
H72E C72A H72F 109.5 . . ?
C24 Si2B C63B 114.5(16) . . ?
C24 Si2B C67B 106.1(12) . . ?
C24 Si2B C70B 105.6(13) . . ?
C67B Si2B C63B 110.5(14) . . ?
C70B Si2B C63B 105.8(12) . . ?
C70B Si2B C67B 114.5(12) . . ?
Si2B C63B H63E 109.1 . . ?
Si2B C63B H63F 109.1 . . ?
H63E C63B H63F 107.8 . . ?
C64B C63B Si2B 112.6(15) . . ?
C64B C63B H63E 109.1 . . ?
C64B C63B H63F 109.1 . . ?
C63B C64B H64E 106.5 . . ?
C63B C64B H64F 106.5 . . ?
C63B C64B C65B 123(2) . . ?
H64E C64B H64F 106.5 . . ?
C65B C64B H64E 106.5 . . ?
C65B C64B H64F 106.5 . . ?
C64B C65B H65E 101.2 . . ?
C64B C65B H65F 101.2 . . ?
H65E C65B H65F 104.5 . . ?
C66B C65B C64B 143(3) . . ?
C66B C65B H65E 101.2 . . ?
C66B C65B H65F 101.2 . . ?
N6B C66B C65B 166(5) . . ?
Si2B C67B H67B 105.3 . . ?
C68B C67B Si2B 112.3(18) . . ?
C68B C67B H67B 105.3 . . ?
C68B C67B C69B 116(2) . . ?
C69B C67B Si2B 111.1(17) . . ?
C69B C67B H67B 105.3 . . ?
C67B C68B H68G 109.5 . . ?
C67B C68B H68H 109.5 . . ?
C67B C68B H68I 109.5 . . ?
H68G C68B H68H 109.5 . . ?
H68G C68B H68I 109.5 . . ?
H68H C68B H68I 109.5 . . ?
C67B C69B H69G 109.5 . . ?
C67B C69B H69H 109.5 . . ?
C67B C69B H69I 109.5 . . ?
H69G C69B H69H 109.5 . . ?
H69G C69B H69I 109.5 . . ?
H69H C69B H69I 109.5 . . ?
Si2B C70B H70B 109.3 . . ?
C71B C70B Si2B 116(2) . . ?
C71B C70B H70B 109.3 . . ?
C71B C70B C72B 98(2) . . ?
C72B C70B Si2B 114(2) . . ?
C72B C70B H70B 109.3 . . ?
C70B C71B H71G 109.5 . . ?
C70B C71B H71H 109.5 . . ?
C70B C71B H71I 109.5 . . ?
H71G C71B H71H 109.5 . . ?
H71G C71B H71I 109.5 . . ?
H71H C71B H71I 109.5 . . ?
C70B C72B H72G 109.5 . . ?
C70B C72B H72H 109.5 . . ?
C70B C72B H72I 109.5 . . ?
H72G C72B H72H 109.5 . . ?
H72G C72B H72I 109.5 . . ?
H72H C72B H72I 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 N1 C1 C2 156.1(4) . . . . ?
Dy1 N1 C1 C20 -27.5(8) . . . . ?
Dy1 N1 C4 C3 -155.6(4) . . . . ?
Dy1 N1 C4 C5 28.4(8) . . . . ?
Dy1 N2 C6 C5 -33.8(7) . . . . ?
Dy1 N2 C6 C7 147.3(4) . . . . ?
Dy1 N2 C9 C8 -148.4(4) . . . . ?
Dy1 N2 C9 C10 34.9(7) . . . . ?
Dy1 N3 C11 C10 -28.4(8) . . . . ?
Dy1 N3 C11 C12 153.8(4) . . . . ?
Dy1 N3 C14 C13 -153.3(4) . . . . ?
Dy1 N3 C14 C15 26.1(8) . . . . ?
Dy1 N4 C16 C15 -35.4(7) . . . . ?
Dy1 N4 C16 C17 151.2(4) . . . . ?
Dy1 N4 C19 C18 -151.3(4) . . . . ?
Dy1 N4 C19 C20 34.7(8) . . . . ?
Co1 C121 C122 C123 -60.4(5) . . . . ?
Co1 C121 C125 C124 60.2(5) . . . . ?
Co1 C122 C123 C124 -60.8(5) . . . . ?
Co1 C123 C124 C125 -60.3(5) . . . . ?
Co1 C124 C125 C121 -60.1(5) . . . . ?
Co1 P101 O101 Dy1 26.1(4) . . . . ?
Co1 P101 O104 C101 -110.8(6) . . . . ?
Co1 P101 O105 C103 -170.2(5) . . . . ?
Co1 P102 O102 Dy1 17.8(5) . . . . ?
Co1 P102 O106 C105 -101.7(6) . . . . ?
Co1 P102 O107 C107 179.4(7) . . . . ?
Co1 P103 O103 Dy1 14.3(4) . . . . ?
Co1 P103 O108 C109 -110.8(6) . . . . ?
Co1 P103 O109 C111 174.9(6) . . . . ?
Co1 P401 O401 Dy1 -15(3) . . . . ?
Co1 P401 O404 C401 -167(4) . . . . ?
Co1 P401 O405 C403 138(3) . . . . ?
Co1 P402 O402 Dy1 -26(4) . . . . ?
Co1 P402 O406 C405 -175(5) . . . . ?
Co1 P402 O407 C407 147(4) . . . . ?
Co1 P403 O403 Dy1 -37(3) . . . . ?
Co1 P403 O408 C409 -123(4) . . . . ?
Co1 P403 O409 C411 178(4) . . . . ?
Si1 C53 C54 C55 -150.4(14) . . . . ?
Si2 C63 C64 C65 92(3) . . . . ?
N1 C1 C2 C3 0.3(7) . . . . ?
N1 C1 C20 C19 -3.1(10) . . . . ?
N1 C1 C20 C21 -178.1(6) . . . . ?
N1 C4 C5 C6 5.1(10) . . . . ?
N1 C4 C5 C25 -179.2(5) . . . . ?
N2 C6 C7 C8 0.2(7) . . . . ?
N2 C9 C10 C11 5.2(10) . . . . ?
N2 C9 C10 C23 -179.7(6) . . . . ?
N3 C11 C12 C13 1.8(7) . . . . ?
N3 C14 C15 C16 3.2(9) . . . . ?
N3 C14 C15 C39 178.0(5) . . . . ?
N4 C16 C17 C18 1.6(7) . . . . ?
N4 C19 C20 C1 -0.9(10) . . . . ?
N4 C19 C20 C21 174.0(6) . . . . ?
C1 N1 C4 C3 1.2(6) . . . . ?
C1 N1 C4 C5 -174.9(6) . . . . ?
C1 C2 C3 C4 0.5(7) . . . . ?
C2 C1 C20 C19 172.8(6) . . . . ?
C2 C1 C20 C21 -2.1(9) . . . . ?
C2 C3 C4 N1 -1.1(7) . . . . ?
C2 C3 C4 C5 175.0(6) . . . . ?
C3 C4 C5 C6 -170.3(6) . . . . ?
C3 C4 C5 C25 5.4(9) . . . . ?
C4 N1 C1 C2 -0.9(7) . . . . ?
C4 N1 C1 C20 175.5(6) . . . . ?
C4 C5 C6 N2 -2.2(9) . . . . ?
C4 C5 C6 C7 176.6(6) . . . . ?
C4 C5 C25 C26 66.4(7) . . . . ?
C4 C5 C25 C30 -108.8(6) . . . . ?
C5 C6 C7 C8 -178.7(6) . . . . ?
C5 C25 C26 C27 -174.1(5) . . . . ?
C5 C25 C30 C29 173.9(5) . . . . ?
C6 N2 C9 C8 1.4(6) . . . . ?
C6 N2 C9 C10 -175.3(6) . . . . ?
C6 C5 C25 C26 -117.5(6) . . . . ?
C6 C5 C25 C30 67.2(7) . . . . ?
C6 C7 C8 C9 0.6(7) . . . . ?
C7 C8 C9 N2 -1.3(7) . . . . ?
C7 C8 C9 C10 175.4(6) . . . . ?
C8 C9 C10 C11 -171.1(6) . . . . ?
C8 C9 C10 C23 4.1(9) . . . . ?
C9 N2 C6 C5 177.9(5) . . . . ?
C9 N2 C6 C7 -1.0(6) . . . . ?
C9 C10 C11 N3 -9.3(10) . . . . ?
C9 C10 C11 C12 168.2(6) . . . . ?
C10 C11 C12 C13 -175.9(6) . . . . ?
C11 N3 C14 C13 1.6(6) . . . . ?
C11 N3 C14 C15 -179.1(5) . . . . ?
C11 C12 C13 C14 -0.8(7) . . . . ?
C12 C13 C14 N3 -0.5(7) . . . . ?
C12 C13 C14 C15 -179.9(6) . . . . ?
C13 C14 C15 C16 -177.5(6) . . . . ?
C13 C14 C15 C39 -2.7(8) . . . . ?
C14 N3 C11 C10 175.7(6) . . . . ?
C14 N3 C11 C12 -2.1(6) . . . . ?
C14 C15 C16 N4 1.9(9) . . . . ?
C14 C15 C16 C17 174.2(6) . . . . ?
C14 C15 C39 C40 -61.6(7) . . . . ?
C14 C15 C39 C44 117.9(6) . . . . ?
C15 C16 C17 C18 -171.7(6) . . . . ?
C15 C39 C40 C41 178.0(5) . . . . ?
C15 C39 C44 C43 -179.1(5) . . . . ?
C16 N4 C19 C18 3.7(6) . . . . ?
C16 N4 C19 C20 -170.4(6) . . . . ?
C16 C15 C39 C40 113.6(6) . . . . ?
C16 C15 C39 C44 -66.9(7) . . . . ?
C16 C17 C18 C19 0.7(7) . . . . ?
C17 C18 C19 N4 -2.7(7) . . . . ?
C17 C18 C19 C20 171.3(6) . . . . ?
C18 C19 C20 C1 -174.1(6) . . . . ?
C18 C19 C20 C21 0.8(9) . . . . ?
C19 N4 C16 C15 170.2(5) . . . . ?
C19 N4 C16 C17 -3.2(6) . . . . ?
C20 C1 C2 C3 -176.2(6) . . . . ?
C22 Si1 C53 C54 52.1(10) . . . . ?
C22 Si1 C57 C58 48.6(8) . . . . ?
C22 Si1 C57 C59 -77.1(10) . . . . ?
C22 Si1 C60 C61 48.2(11) . . . . ?
C22 Si1 C60 C62 -168.3(10) . . . . ?
C23 C10 C11 N3 175.5(6) . . . . ?
C23 C10 C11 C12 -7.0(9) . . . . ?
C23 C24 Si2B C63B 11(4) . . . . ?
C23 C24 Si2B C67B 133(3) . . . . ?
C23 C24 Si2B C70B -105(4) . . . . ?
C24 Si2 C67 C68 -59.5(17) . . . . ?
C24 Si2 C67 C69 165.9(18) . . . . ?
C24 Si2 C70 C71 35(2) . . . . ?
C24 Si2 C70 C72 -73.3(19) . . . . ?
C24 Si2A C70A C71A -172(2) . . . . ?
C24 Si2A C70A C72A -46.4(19) . . . . ?
C24 Si2B C67B C68B -64(3) . . . . ?
C24 Si2B C67B C69B 163(2) . . . . ?
C24 Si2B C70B C71B 62(3) . . . . ?
C24 Si2B C70B C72B -51(3) . . . . ?
C25 C5 C6 N2 -177.7(5) . . . . ?
C25 C5 C6 C7 1.0(9) . . . . ?
C25 C26 C27 C28 0.4(8) . . . . ?
C25 C26 C27 C31 178.0(5) . . . . ?
C26 C25 C30 C29 -1.4(8) . . . . ?
C26 C27 C28 C29 -1.9(8) . . . . ?
C26 C27 C31 C32 44.0(7) . . . . ?
C26 C27 C31 C33 -75.4(7) . . . . ?
C26 C27 C31 C34 163.7(5) . . . . ?
C27 C28 C29 C30 1.7(8) . . . . ?
C27 C28 C29 C35 178.2(5) . . . . ?
C28 C27 C31 C32 -138.5(6) . . . . ?
C28 C27 C31 C33 102.1(7) . . . . ?
C28 C27 C31 C34 -18.7(7) . . . . ?
C28 C29 C30 C25 0.0(8) . . . . ?
C28 C29 C35 C36 -82.5(8) . . . . ?
C28 C29 C35 C37 37.1(8) . . . . ?
C28 C29 C35 C38 154.9(7) . . . . ?
C30 C25 C26 C27 1.2(8) . . . . ?
C30 C29 C35 C36 93.9(7) . . . . ?
C30 C29 C35 C37 -146.6(6) . . . . ?
C30 C29 C35 C38 -28.7(9) . . . . ?
C31 C27 C28 C29 -179.4(5) . . . . ?
C35 C29 C30 C25 -176.5(5) . . . . ?
C39 C15 C16 N4 -172.8(5) . . . . ?
C39 C15 C16 C17 -0.5(9) . . . . ?
C39 C40 C41 C42 2.0(8) . . . . ?
C39 C40 C41 C45 -179.4(5) . . . . ?
C40 C39 C44 C43 0.4(8) . . . . ?
C40 C41 C42 C43 -1.4(9) . . . . ?
C40 C41 C45 C46 -114.7(6) . . . . ?
C40 C41 C45 C47 124.9(6) . . . . ?
C40 C41 C45 C48 5.0(8) . . . . ?
C41 C42 C43 C44 0.3(9) . . . . ?
C41 C42 C43 C49 -179.1(6) . . . . ?
C42 C41 C45 C46 63.9(7) . . . . ?
C42 C41 C45 C47 -56.5(8) . . . . ?
C42 C41 C45 C48 -176.4(6) . . . . ?
C42 C43 C44 C39 0.2(9) . . . . ?
C42 C43 C49 C50 -57.2(9) . . . . ?
C42 C43 C49 C51 -177.3(8) . . . . ?
C42 C43 C49 C52 60.5(8) . . . . ?
C44 C39 C40 C41 -1.5(8) . . . . ?
C44 C43 C49 C50 123.5(7) . . . . ?
C44 C43 C49 C51 3.4(11) . . . . ?
C44 C43 C49 C52 -118.8(8) . . . . ?
C45 C41 C42 C43 180.0(5) . . . . ?
C49 C43 C44 C39 179.5(6) . . . . ?
C53 Si1 C57 C58 -67.2(8) . . . . ?
C53 Si1 C57 C59 167.2(10) . . . . ?
C53 Si1 C60 C61 161.8(9) . . . . ?
C53 Si1 C60 C62 -54.7(12) . . . . ?
C53 C54 C55 C56 178.4(13) . . . . ?
C57 Si1 C53 C54 168.7(9) . . . . ?
C57 Si1 C60 C61 -71.9(10) . . . . ?
C57 Si1 C60 C62 71.6(11) . . . . ?
C60 Si1 C53 C54 -60.7(10) . . . . ?
C60 Si1 C57 C58 167.4(6) . . . . ?
C60 Si1 C57 C59 41.8(11) . . . . ?
C63 Si2 C67 C68 53.7(19) . . . . ?
C63 Si2 C67 C69 -81(2) . . . . ?
C63 Si2 C70 C71 -75(2) . . . . ?
C63 Si2 C70 C72 176.0(19) . . . . ?
C63 C64 C65 C66 -106(5) . . . . ?
C67 Si2 C70 C71 149.4(19) . . . . ?
C67 Si2 C70 C72 41(2) . . . . ?
C70 Si2 C67 C68 -173.3(16) . . . . ?
C70 Si2 C67 C69 52(2) . . . . ?
C121 C122 C123 Co1 60.8(5) . . . . ?
C121 C122 C123 C124 0.0(8) . . . . ?
C122 C121 C125 Co1 -60.0(5) . . . . ?
C122 C121 C125 C124 0.1(8) . . . . ?
C122 C123 C124 Co1 60.4(5) . . . . ?
C122 C123 C124 C125 0.1(8) . . . . ?
C123 C124 C125 Co1 60.0(5) . . . . ?
C123 C124 C125 C121 -0.1(8) . . . . ?
C125 C121 C122 Co1 60.3(5) . . . . ?
C125 C121 C122 C123 -0.1(8) . . . . ?
P101 O104 C101 C102 -110.5(12) . . . . ?
P101 O105 C103 C104 -87.7(9) . . . . ?
P102 O106 C105 C106 171.6(8) . . . . ?
P102 O107 C107 C108 154.1(8) . . . . ?
P103 O108 C109 C110 -102.6(9) . . . . ?
P103 O109 C111 C112 171.7(6) . . . . ?
O101 P101 O104 C101 21.1(7) . . . . ?
O101 P101 O105 C103 59.4(6) . . . . ?
O102 P102 O106 C105 32.0(7) . . . . ?
O102 P102 O107 C107 47.6(8) . . . . ?
O103 P103 O108 C109 21.5(7) . . . . ?
O103 P103 O109 C111 44.5(7) . . . . ?
O104 P101 O101 Dy1 -100.7(4) . . . . ?
O104 P101 O105 C103 -54.9(6) . . . . ?
O105 P101 O101 Dy1 149.8(4) . . . . ?
O105 P101 O104 C101 135.8(7) . . . . ?
O106 P102 O102 Dy1 -111.0(4) . . . . ?
O106 P102 O107 C107 -64.6(8) . . . . ?
O107 P102 O102 Dy1 141.5(5) . . . . ?
O107 P102 O106 C105 146.4(7) . . . . ?
O108 P103 O103 Dy1 -113.7(4) . . . . ?
O108 P103 O109 C111 -69.0(7) . . . . ?
O109 P103 O103 Dy1 138.4(4) . . . . ?
O109 P103 O108 C109 135.5(7) . . . . ?
P401 O404 C401 C402 -16(7) . . . . ?
P401 O405 C403 C404 -104(5) . . . . ?
P402 O406 C405 C406 -135(6) . . . . ?
P402 O407 C407 C408 61(7) . . . . ?
P403 O408 C409 C410 -84(7) . . . . ?
P403 O409 C411 C412 -137(8) . . . . ?
O401 P401 O404 C401 -39(5) . . . . ?
O401 P401 O405 C403 2(4) . . . . ?
O402 P402 O406 C405 -36(6) . . . . ?
O402 P402 O407 C407 15(5) . . . . ?
O403 P403 O408 C409 4(5) . . . . ?
O403 P403 O409 C411 41(5) . . . . ?
O404 P401 O401 Dy1 -133(3) . . . . ?
O404 P401 O405 C403 -116(4) . . . . ?
O405 P401 O401 Dy1 117(3) . . . . ?
O405 P401 O404 C401 78(5) . . . . ?
O406 P402 O402 Dy1 -158(3) . . . . ?
O406 P402 O407 C407 -101(4) . . . . ?
O407 P402 O402 Dy1 92(3) . . . . ?
O407 P402 O406 C405 84(6) . . . . ?
O408 P403 O403 Dy1 -154(3) . . . . ?
O408 P403 O409 C411 -73(5) . . . . ?
O409 P403 O403 Dy1 101(3) . . . . ?
O409 P403 O408 C409 114(5) . . . . ?
Dy21 N201 C201 C202 -151.2(4) . . . . ?
Dy21 N201 C201 C220 33.2(7) . . . . ?
Dy21 N201 C204 C203 150.1(4) . . . . ?
Dy21 N201 C204 C205 -31.8(7) . . . . ?
Dy21 N202 C206 C205 27.7(8) . . . . ?
Dy21 N202 C206 C207 -155.5(4) . . . . ?
Dy21 N202 C209 C208 156.2(4) . . . . ?
Dy21 N202 C209 C210 -29.2(8) . . . . ?
Dy21 N203 C211 C210 32.9(7) . . . . ?
Dy21 N203 C211 C212 -149.3(4) . . . . ?
Dy21 N203 C214 C213 147.9(4) . . . . ?
Dy21 N203 C214 C215 -32.2(8) . . . . ?
Dy21 N204 C216 C215 30.5(7) . . . . ?
Dy21 N204 C216 C217 -151.3(4) . . . . ?
Dy21 N204 C219 C218 152.1(4) . . . . ?
Dy21 N204 C219 C220 -30.0(7) . . . . ?
Co21 C321 C322 C323 -61.7(5) . . . . ?
Co21 C321 C325 C324 59.6(5) . . . . ?
Co21 C322 C323 C324 -60.7(5) . . . . ?
Co21 C323 C324 C325 -61.0(5) . . . . ?
Co21 C324 C325 C321 -59.3(5) . . . . ?
Co21 P301 O301 Dy21 -21.6(9) . . . . ?
Co21 P301 O304 C301 177.0(12) . . . . ?
Co21 P301 O305 C303 -135(2) . . . . ?
Co21 P302 O302 Dy21 -22.8(9) . . . . ?
Co21 P302 O306 C305 130.2(14) . . . . ?
Co21 P302 O307 C307 -176.0(14) . . . . ?
Co21 P303 O303 Dy21 -23.0(9) . . . . ?
Co21 P303 O308 C309 142.6(13) . . . . ?
Co21 P303 O309 C311 -118.2(11) . . . . ?
Co21 P501 O501 Dy21 10.2(11) . . . . ?
Co21 P501 O504 C501 -178.2(14) . . . . ?
Co21 P501 O505 C503 -105.7(17) . . . . ?
Co21 P502 O502 Dy21 6.7(11) . . . . ?
Co21 P502 O506 C505 171.6(17) . . . . ?
Co21 P502 O507 C507 -108.6(14) . . . . ?
Co21 P503 O503 Dy21 -3.0(12) . . . . ?
Co21 P503 O508 C509 133(2) . . . . ?
Co21 P503 O509 C511 -125.2(14) . . . . ?
Si21 C253 C254 C255 -163.3(8) . . . . ?
Si22 C263 C264 C265 -173.0(6) . . . . ?
N201 C201 C202 C203 -1.5(7) . . . . ?
N201 C201 C220 C219 7.2(9) . . . . ?
N201 C201 C220 C221 -176.7(5) . . . . ?
N201 C204 C205 C206 1.5(9) . . . . ?
N201 C204 C205 C225 -175.4(5) . . . . ?
N202 C206 C207 C208 -0.2(7) . . . . ?
N202 C209 C210 C211 -8.6(10) . . . . ?
N202 C209 C210 C223 175.9(6) . . . . ?
N203 C211 C212 C213 -1.3(7) . . . . ?
N203 C214 C215 C216 -1.3(9) . . . . ?
N203 C214 C215 C239 179.8(5) . . . . ?
N204 C216 C217 C218 0.7(7) . . . . ?
N204 C219 C220 C201 -8.9(9) . . . . ?
N204 C219 C220 C221 175.0(5) . . . . ?
C201 N201 C204 C203 -0.3(6) . . . . ?
C201 N201 C204 C205 177.8(5) . . . . ?
C201 C202 C203 C204 1.2(7) . . . . ?
C202 C201 C220 C219 -167.8(6) . . . . ?
C202 C201 C220 C221 8.3(8) . . . . ?
C202 C203 C204 N201 -0.6(7) . . . . ?
C202 C203 C204 C205 -178.7(6) . . . . ?
C203 C204 C205 C206 179.2(6) . . . . ?
C203 C204 C205 C225 2.3(8) . . . . ?
C204 N201 C201 C202 1.1(6) . . . . ?
C204 N201 C201 C220 -174.6(5) . . . . ?
C204 C205 C206 N202 0.7(9) . . . . ?
C204 C205 C206 C207 -175.5(6) . . . . ?
C204 C205 C225 C226 64.3(7) . . . . ?
C204 C205 C225 C230 -116.6(7) . . . . ?
C205 C206 C207 C208 176.5(6) . . . . ?
C205 C225 C226 C227 -179.2(6) . . . . ?
C205 C225 C230 C229 -179.2(6) . . . . ?
C206 N202 C209 C208 -1.8(7) . . . . ?
C206 N202 C209 C210 172.8(6) . . . . ?
C206 C205 C225 C226 -112.9(7) . . . . ?
C206 C205 C225 C230 66.2(8) . . . . ?
C206 C207 C208 C209 -0.8(8) . . . . ?
C207 C208 C209 N202 1.7(8) . . . . ?
C207 C208 C209 C210 -172.8(6) . . . . ?
C208 C209 C210 C211 165.1(7) . . . . ?
C208 C209 C210 C223 -10.4(10) . . . . ?
C209 N202 C206 C205 -175.4(6) . . . . ?
C209 N202 C206 C207 1.3(7) . . . . ?
C209 C210 C211 N203 6.0(10) . . . . ?
C209 C210 C211 C212 -171.4(6) . . . . ?
C210 C211 C212 C213 176.4(6) . . . . ?
C211 N203 C214 C213 -0.6(6) . . . . ?
C211 N203 C214 C215 179.3(5) . . . . ?
C211 C212 C213 C214 0.9(7) . . . . ?
C212 C213 C214 N203 -0.2(7) . . . . ?
C212 C213 C214 C215 179.9(6) . . . . ?
C213 C214 C215 C216 178.5(6) . . . . ?
C213 C214 C215 C239 -0.3(8) . . . . ?
C214 N203 C211 C210 -176.6(6) . . . . ?
C214 N203 C211 C212 1.2(6) . . . . ?
C214 C215 C216 N204 2.5(9) . . . . ?
C214 C215 C216 C217 -175.5(6) . . . . ?
C214 C215 C239 C240 69.0(8) . . . . ?
C214 C215 C239 C244 -108.5(7) . . . . ?
C215 C216 C217 C218 178.9(6) . . . . ?
C215 C239 C240 C241 -176.9(6) . . . . ?
C215 C239 C244 C243 176.5(6) . . . . ?
C216 N204 C219 C218 -1.1(6) . . . . ?
C216 N204 C219 C220 176.7(5) . . . . ?
C216 C215 C239 C240 -110.0(7) . . . . ?
C216 C215 C239 C244 72.6(8) . . . . ?
C216 C217 C218 C219 -1.3(7) . . . . ?
C217 C218 C219 N204 1.6(7) . . . . ?
C217 C218 C219 C220 -176.3(5) . . . . ?
C218 C219 C220 C201 168.7(6) . . . . ?
C218 C219 C220 C221 -7.4(8) . . . . ?
C219 N204 C216 C215 -177.9(5) . . . . ?
C219 N204 C216 C217 0.3(6) . . . . ?
C220 C201 C202 C203 174.2(6) . . . . ?
C222 Si21 C253 C254 42.8(8) . . . . ?
C222 Si21 C257 C258 53.9(7) . . . . ?
C222 Si21 C257 C259 -179.3(6) . . . . ?
C222 Si21 C260 C261 78.1(7) . . . . ?
C222 Si21 C260 C262 -46.5(7) . . . . ?
C223 C210 C211 N203 -178.5(6) . . . . ?
C223 C210 C211 C212 4.1(9) . . . . ?
C224 Si22 C263 C264 52.3(8) . . . . ?
C224 Si22 C270 C271 -41.8(15) . . . . ?
C224 Si22 C270 C272 74.3(12) . . . . ?
C225 C205 C206 N202 177.5(5) . . . . ?
C225 C205 C206 C207 1.4(9) . . . . ?
C225 C226 C227 C228 -2.6(11) . . . . ?
C225 C226 C227 C231 178.6(8) . . . . ?
C226 C225 C230 C229 -0.1(10) . . . . ?
C226 C227 C228 C229 2.0(12) . . . . ?
C226 C227 C231 C232 -63.4(11) . . . . ?
C226 C227 C231 C233 -179.2(9) . . . . ?
C226 C227 C231 C234 55.7(12) . . . . ?
C227 C228 C229 C230 -0.4(12) . . . . ?
C227 C228 C229 C235 -179.3(8) . . . . ?
C228 C227 C231 C232 117.9(10) . . . . ?
C228 C227 C231 C233 2.1(14) . . . . ?
C228 C227 C231 C234 -123.1(10) . . . . ?
C228 C229 C230 C225 -0.5(11) . . . . ?
C228 C229 C235 C236 -44.7(12) . . . . ?
C228 C229 C235 C237 66.8(12) . . . . ?
C228 C229 C235 C238 -165.9(10) . . . . ?
C230 C225 C226 C227 1.7(10) . . . . ?
C230 C229 C235 C236 136.4(9) . . . . ?
C230 C229 C235 C237 -112.1(10) . . . . ?
C230 C229 C235 C238 15.3(14) . . . . ?
C231 C227 C228 C229 -179.3(8) . . . . ?
C235 C229 C230 C225 178.4(7) . . . . ?
C239 C215 C216 N204 -178.7(5) . . . . ?
C239 C215 C216 C217 3.3(8) . . . . ?
C239 C240 C241 C242 0.2(10) . . . . ?
C239 C240 C241 C245 -178.9(7) . . . . ?
C240 C239 C244 C243 -1.0(10) . . . . ?
C240 C241 C242 C243 -0.7(11) . . . . ?
C240 C241 C245 C246 91.7(8) . . . . ?
C240 C241 C245 C247 -27.2(10) . . . . ?
C240 C241 C245 C248 -147.0(8) . . . . ?
C241 C242 C243 C244 0.4(10) . . . . ?
C241 C242 C243 C249 177.3(6) . . . . ?
C242 C241 C245 C246 -87.4(9) . . . . ?
C242 C241 C245 C247 153.7(7) . . . . ?
C242 C241 C245 C248 33.9(10) . . . . ?
C242 C243 C244 C239 0.5(10) . . . . ?
C242 C243 C249 C250 49.5(8) . . . . ?
C242 C243 C249 C251 168.5(7) . . . . ?
C242 C243 C249 C252 -70.5(8) . . . . ?
C244 C239 C240 C241 0.6(10) . . . . ?
C244 C243 C249 C250 -133.7(7) . . . . ?
C244 C243 C249 C251 -14.7(10) . . . . ?
C244 C243 C249 C252 106.2(8) . . . . ?
C245 C241 C242 C243 178.4(7) . . . . ?
C249 C243 C244 C239 -176.3(6) . . . . ?
C253 Si21 C257 C258 -61.8(7) . . . . ?
C253 Si21 C257 C259 64.9(7) . . . . ?
C253 Si21 C260 C261 -163.4(6) . . . . ?
C253 Si21 C260 C262 72.0(7) . . . . ?
C253 C254 C255 C256 -178.5(10) . . . . ?
C257 Si21 C253 C254 158.0(7) . . . . ?
C257 Si21 C260 C261 -38.7(7) . . . . ?
C257 Si21 C260 C262 -163.3(6) . . . . ?
C260 Si21 C253 C254 -74.6(8) . . . . ?
C260 Si21 C257 C258 170.0(6) . . . . ?
C260 Si21 C257 C259 -63.2(7) . . . . ?
C263 Si22 C270 C271 -159.7(12) . . . . ?
C263 Si22 C270 C272 -43.6(13) . . . . ?
C263 C264 C265 C266 -170.3(8) . . . . ?
C267 Si22 C263 C264 -64.6(9) . . . . ?
C267 Si22 C270 C271 76.0(14) . . . . ?
C267 Si22 C270 C272 -168.0(11) . . . . ?
C270 Si22 C263 C264 171.2(8) . . . . ?
C321 C322 C323 Co21 61.6(5) . . . . ?
C321 C322 C323 C324 0.9(7) . . . . ?
C322 C321 C325 Co21 -59.6(5) . . . . ?
C322 C321 C325 C324 0.0(8) . . . . ?
C322 C323 C324 Co21 60.0(5) . . . . ?
C322 C323 C324 C325 -0.9(8) . . . . ?
C323 C324 C325 Co21 59.9(5) . . . . ?
C323 C324 C325 C321 0.6(8) . . . . ?
C325 C321 C322 Co21 61.2(5) . . . . ?
C325 C321 C322 C323 -0.5(8) . . . . ?
P301 O304 C301 C302 -172.1(16) . . . . ?
P301 O305 C303 C304 166(2) . . . . ?
P302 O306 C305 C306 -171.0(17) . . . . ?
P302 O307 C307 C308 173.4(17) . . . . ?
P303 O308 C309 C310 -133.4(18) . . . . ?
P303 O309 C311 C312 -109.4(13) . . . . ?
O301 P301 O304 C301 47.0(14) . . . . ?
O301 P301 O305 C303 -2(2) . . . . ?
O302 P302 O306 C305 -2.2(16) . . . . ?
O302 P302 O307 C307 -42.9(17) . . . . ?
O303 P303 O308 C309 10.9(15) . . . . ?
O303 P303 O309 C311 12.1(13) . . . . ?
O304 P301 O301 Dy21 100.7(9) . . . . ?
O304 P301 O305 C303 116(2) . . . . ?
O305 P301 O301 Dy21 -150.5(9) . . . . ?
O305 P301 O304 C301 -67.4(14) . . . . ?
O306 P302 O302 Dy21 103.7(9) . . . . ?
O306 P302 O307 C307 69.8(16) . . . . ?
O307 P302 O302 Dy21 -149.3(8) . . . . ?
O307 P302 O306 C305 -117.0(15) . . . . ?
O308 P303 O303 Dy21 102.3(8) . . . . ?
O308 P303 O309 C311 127.3(12) . . . . ?
O309 P303 O303 Dy21 -147.3(8) . . . . ?
O309 P303 O308 C309 -102.1(14) . . . . ?
P501 O504 C501 C502 171(2) . . . . ?
P501 O505 C503 C504 -119(2) . . . . ?
P502 O506 C505 C506 179(2) . . . . ?
P502 O507 C507 C508 -103.1(16) . . . . ?
P503 O508 C509 C510 69(3) . . . . ?
P503 O509 C511 C512 -126.9(18) . . . . ?
O501 P501 O504 C501 50.8(16) . . . . ?
O501 P501 O505 C503 27.3(19) . . . . ?
O502 P502 O506 C505 38(2) . . . . ?
O502 P502 O507 C507 25.4(16) . . . . ?
O503 P503 O508 C509 3(3) . . . . ?
O503 P503 O509 C511 9.0(16) . . . . ?
O504 P501 O501 Dy21 133.9(8) . . . . ?
O504 P501 O505 C503 143.1(17) . . . . ?
O505 P501 O501 Dy21 -119.6(10) . . . . ?
O505 P501 O504 C501 -61.1(15) . . . . ?
O506 P502 O502 Dy21 134.4(9) . . . . ?
O506 P502 O507 C507 136.6(16) . . . . ?
O507 P502 O502 Dy21 -122.0(10) . . . . ?
O507 P502 O506 C505 -73.1(19) . . . . ?
O508 P503 O503 Dy21 118.1(11) . . . . ?
O508 P503 O509 C511 120.3(16) . . . . ?
O509 P503 O503 Dy21 -135.5(10) . . . . ?
O509 P503 O508 C509 -105(3) . . . . ?
Si2A C63A C64A C65A -170(2) . . . . ?
C63A Si2A C70A C71A 67(3) . . . . ?
C63A Si2A C70A C72A -167.3(18) . . . . ?
C63A C64A C65A C66A 177(3) . . . . ?
C64A C65A C66A N6A -92(14) . . . . ?
C67A Si2A C70A C71A -55(3) . . . . ?
C67A Si2A C70A C72A 70.3(19) . . . . ?
Si2B C63B C64B C65B -1(6) . . . . ?
C63B Si2B C67B C68B 60(3) . . . . ?
C63B Si2B C67B C69B -72(3) . . . . ?
C63B Si2B C70B C71B -60(3) . . . . ?
C63B Si2B C70B C72B -173(3) . . . . ?
C63B C64B C65B C66B -134(5) . . . . ?
C64B C65B C66B N6B -176(20) . . . . ?
C67B Si2B C70B C71B 178(3) . . . . ?
C67B Si2B C70B C72B 65(3) . . . . ?
C70B Si2B C67B C68B 180(2) . . . . ?
C70B Si2B C67B C69B 47(3) . . . . ?

_olex2_diffrn_ambient_temperature_device 'Oxford Cryosystems'
_olex2_exptl_crystal_mounting_method 
'The crystal was mounted on a MITIGEN holder in perfluoroether oil'
_olex2_submission_original_sample_id Dy-Por-CN
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.309
_oxdiff_exptl_absorpt_empirical_full_min 0.596


_vrf_PLAT971_P1starDy            
;
PROBLEM: Check Calcd Residual Density  0.81A From     Dy1       4.25 eA-3  
RESPONSE: 
 The data quality is sufficient to show strucutural connectivity. The residual density
 near Dy is believed to be due insufficient data to accurately model the ripples
 around the heavy atom
;

