# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_3
_database_code_depnum_ccdc_archive 'CCDC 2141691'
loop_
_audit_author_name
_audit_author_address
'Guo-Ming Wang'
;Qingdao University
China
;
_audit_update_record             
;
2022-01-13 deposited with the CCDC.	2022-10-05 downloaded from the CCDC.
;
_audit_creation_date             2022-01-12
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C60 H136 Cl Eu15 N10 O80, 2(N O3), 10(Cl)'
_chemical_formula_sum            'C60 H136 Cl11 Eu15 N12 O86'
_chemical_formula_weight         5071.15
_chemical_melting_point          ?
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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -8.9294 11.1857 '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'

_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      orthorhombic
_space_group_IT_number           51
_space_group_name_H-M_alt        'P m m a'
_space_group_name_Hall           '-P 2a 2a'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z'
'-x, y, -z'
'x+1/2, -y, -z'
'-x, -y, -z'
'x-1/2, y, -z'
'x, -y, z'
'-x-1/2, y, z'

_cell_length_a                   29.9490(5)
_cell_length_b                   12.2649(2)
_cell_length_c                   21.5496(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     7915.6(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    15184
_cell_measurement_temperature    100.01(10)
_cell_measurement_theta_max      75.1370
_cell_measurement_theta_min      4.6630
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    44.276
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.01802
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.84a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.128
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4800
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0589
_diffrn_reflns_av_unetI/netI     0.0428
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            21655
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        59.988
_diffrn_reflns_theta_max         59.988
_diffrn_reflns_theta_min         4.103
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.01(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  39.00   0.50    7.36    --    0.00  82.00 150.00  140
  2  ω    -35.00  25.00   0.50    7.36    --    0.00 -82.00 150.00  120
  3  ω    -15.00  15.00   0.50    7.36    --    0.00  82.00 -90.00   60
  4  ω     73.00 116.00   0.50   29.45    --  101.30 -57.00-150.00   86
  5  ω     90.00 179.00   0.50   29.45    --  101.30  38.00 -30.00  178
  6  ω    108.00 184.00   0.50   29.45    --  101.30  82.00-150.00  152
  7  ω     12.00  40.00   0.50   29.45    --  101.30 -57.00-150.00   56
  8  ω     42.00 132.00   0.50   29.45    --  101.30 -82.00  60.00  180
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0144682000
_diffrn_orient_matrix_UB_12      0.1024551000
_diffrn_orient_matrix_UB_13      0.0361738000
_diffrn_orient_matrix_UB_21      -0.0201588000
_diffrn_orient_matrix_UB_22      0.0484272000
_diffrn_orient_matrix_UB_23      -0.0596952000
_diffrn_orient_matrix_UB_31      -0.0450777000
_diffrn_orient_matrix_UB_32      -0.0543972000
_diffrn_orient_matrix_UB_33      0.0150876000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube (dual wavelength)'
_diffrn_source_type              'Rigaku (Cu) X-ray DW Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5686
_reflns_number_total             6296
_reflns_odcompleteness_completeness 99.85
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_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    ?
_refine_diff_density_max         3.819
_refine_diff_density_min         -2.872
_refine_diff_density_rms         0.381
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     650
_refine_ls_number_reflns         6296
_refine_ls_number_restraints     525
_refine_ls_R_factor_all          0.1089
_refine_ls_R_factor_gt           0.1036
_refine_ls_restrained_S_all      1.103
_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)+(0.1665P)²+458.8376P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2711
_refine_ls_wR_factor_ref         0.2758
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups, H16 of O16, H23 of O23, H19 of O19, H21 of O21, H18 of
  O18, H20 of O20, H22 of O22, H17 of O17, All N(H) groups
 At 1.5 times of:
  All O(H,H) groups, H7A of O7A, H7 of O7, H13 of O13, H1 of O1, H1A of O1A
2. Restrained distances
 C12-C5A
 1.48 with sigma of 0.02
 C9-O8
 1.4 with sigma of 0.02
 O7A-C7A
 2.3 with sigma of 0.02
 O14-C16
 1.4 with sigma of 0.02
 O1-C2
 1.4 with sigma of 0.02
 O7A-C8A
 1.45 with sigma of 0.02
 C11-C12
 1.48 with sigma of 0.02
 C11A-O11
 2 with sigma of 0.02
 C17-O11
 2.1 with sigma of 0.02
 C10A-C10
 2.2 with sigma of 0.02
 C1-C4
 1.5 with sigma of 0.02
 C3A-C2A
 2.3 with sigma of 0.02
 C8A-C7A
 1.48 with sigma of 0.02
 C9-C7
 1.5 with sigma of 0.02
 C7A-C9A
 1.5 with sigma of 0.02
 C8-O7
 1.45 with sigma of 0.02
 C10A-C7A
 1.45 with sigma of 0.02
 C14-O13
 1.45 with sigma of 0.02
 C9-C9A
 2.3 with sigma of 0.02
 C13-C15
 1.5 with sigma of 0.02
 N3-C13
 1.45 with sigma of 0.02
 C16-C13
 1.48 with sigma of 0.02
 O24A-N4
 1.15 with sigma of 0.02
 C7-C10
 1.5 with sigma of 0.02
 C7-C9
 1.5 with sigma of 0.02
 C10A-Eu1
 3.5 with sigma of 0.02
 C9A-O7A
 2.5 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
O10 \\sim O4A \\sim O6 \\sim N1A \\sim C12 \\sim C11 \\sim C5A: within 1.7A
with sigma of 0.001 and sigma for terminal atoms of 0.002
O15 \\sim O14 \\sim O13 \\sim N3 \\sim C15 \\sim C13 \\sim C17 \\sim C14 \\sim
C16: within 1.7A with sigma of 0.001 and sigma for terminal atoms of 0.002
O9 \\sim O8 \\sim N2A \\sim C8A \\sim C9A \\sim C7A \\sim C10A \\sim Cl4:
within 1.7A with sigma of 0.001 and sigma for terminal atoms of 0.002
O14 \\sim O13 \\sim C13 \\sim C14 \\sim C16: within 1.7A with sigma of 0.001
and sigma for terminal atoms of 0.002
O7A \\sim C8A \\sim C9A \\sim C7A \\sim C10A: within 1.7A with sigma of 0.001
and sigma for terminal atoms of 0.002
O4 \\sim O5 \\sim N1 \\sim C6 \\sim C5: within 1.7A with sigma of 0.001 and
sigma for terminal atoms of 0.002
O25 \\sim O26 \\sim O24A: within 1.7A with sigma of 0.001 and sigma for
terminal atoms of 0.002
O25 \\sim O26 \\sim N4 \\sim O24A: within 1.7A with sigma of 0.001 and sigma
for terminal atoms of 0.002
O11 \\sim O12 \\sim O6A \\sim N2A \\sim N3 \\sim C18 \\sim C11A \\sim C17:
within 1.7A with sigma of 0.001 and sigma for terminal atoms of 0.002
O7 \\sim N2 \\sim C7 \\sim C9 \\sim C8 \\sim C10: within 1.7A with sigma of
0.001 and sigma for terminal atoms of 0.002
O2 \\sim O3 \\sim O1A \\sim C2A \\sim C3A \\sim C4A \\sim C1A: within 1.7A with
sigma of 0.001 and sigma for terminal atoms of 0.002
O2 \\sim O3 \\sim O1 \\sim N1 \\sim C3 \\sim C2 \\sim C1 \\sim C4: within 1.7A
with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(O22) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(Eu4) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(Eu3) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(O20) \\sim Ueq, Uanis(O17) \\sim Ueq, Uanis(O19) \\sim Ueq, Uanis(O18)
\\sim Ueq, Uanis(O23) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(O21) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(O16) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O24) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(N4) \\sim Ueq, Uanis(O24A) \\sim Ueq, Uanis(O26) \\sim Ueq, Uanis(O25)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(Eu1) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(O7A) \\sim Ueq, Uanis(O17) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
Uanis(Cl1) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4. Others
 Fixed Sof: O4(0.5) O4A(0.5) O12(0.5) O1(0.5) H1(0.5) O6(0.5) O6A(0.5)
 O1A(0.5) H1A(0.5) O7A(0.5) H7A(0.5) O13(0.5) H13(0.5) O7(0.5) H7(0.5) N1A(0.5)
 H1AA(0.5) N2A(0.5) H2A(0.5) N3(0.5) H3(0.5) N2(0.5) H2(0.5) N1(0.5) H1B(0.5)
 C15(0.5) H15A(0.5) H15B(0.5) C13(0.5) C8A(0.5) H8AA(0.5) H8AB(0.5) C11A(0.5)
 H11A(0.5) H11B(0.5) C7(0.5) C5(0.5) H5A(0.5) H5B(0.5) C2A(0.5) H2AA(0.5)
 H2AB(0.5) C11(0.5) H11C(0.5) H11D(0.5) C9A(0.5) H9AA(0.5) H9AB(0.5) C17(0.5)
 H17A(0.5) H17B(0.5) C5A(0.5) H5AA(0.5) H5AB(0.5) C9(0.5) H9A(0.5) H9B(0.5)
 C3A(0.5) H3AA(0.5) H3AB(0.5) C8(0.5) H8A(0.5) H8B(0.5) C7A(0.5) C3(0.5)
 H3A(0.5) H3B(0.5) C14(0.5) H14A(0.5) H14B(0.5) C2(0.5) H2B(0.5) H2C(0.5)
 C16(0.5) H16A(0.5) H16B(0.5) C1(0.5) C10(0.5) H10A(0.5) H10B(0.5) C4(0.5)
 H4A(0.5) H4B(0.5) C4A(0.5) H4AA(0.5) H4AB(0.5) C10A(0.5) H10C(0.5) H10D(0.5)
 C1A(0.5) O25(0.5) O26(0.25) O24(0.25)
5.a Riding coordinates:
 C11A(H11A,H11B), C17(H17A,H17B)
5.b Rotating group:
 O2W(H2WA,H2WB), O3W(H3WA,H3WB)
5.c Ternary CH refined with riding coordinates:
 O19(H19), O22(H22), O17(H17), O23(H23), O20(H20), O21(H21), O18(H18),
 O16(H16), N1A(H1AA), N3(H3), N2(H2), N1(H1B)
5.d Secondary CH2 refined with riding coordinates:
 C15(H15A,H15B), C8A(H8AA,H8AB), C5(H5A,H5B), C2A(H2AA,H2AB), C11(H11C,H11D),
 C9A(H9AA,H9AB), C5A(H5AA,H5AB), C9(H9A,H9B), C3A(H3AA,H3AB), C8(H8A,H8B),
 C3(H3A,H3B), C14(H14A,H14B), C2(H2B,H2C), C16(H16A,H16B), C10(H10A,H10B),
 C4(H4A,H4B), C4A(H4AA,H4AB), C10A(H10C,H10D)
5.e Aromatic/amide H refined with riding coordinates:
 N2A(H2A)
5.f Tetrahedral OH refined with riding coordinates:
 O1A(H1A), O7A(H7A), O13(H13), O7(H7)
5.g Idealised tetrahedral OH refined as rotating group:
 O1(H1)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_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
Eu1 Eu 0.58798(3) 0.16509(9) 0.17796(6) 0.0278(4) Uani 1 1 d D U . . .
Eu2 Eu 0.7500 0.16479(13) 0.01231(7) 0.0277(4) Uani 1 2 d S T P B .
Eu3 Eu 0.68688(4) 0.0000 0.12972(6) 0.0126(4) Uani 1 2 d S TU P B .
Eu4 Eu 0.64829(4) 0.0000 0.29771(6) 0.0138(4) Uani 1 2 d S TU P B .
Eu5 Eu 0.64949(4) 0.16530(9) 0.44414(5) 0.0280(4) Uani 1 1 d . . . . .
Eu6 Eu 0.7500 0.0000 0.40256(9) 0.0144(5) Uani 1 4 d S T P A .
Cl1 Cl 0.7500 0.0000 0.2511(3) 0.0230(18) Uani 1 4 d S TU P . .
O4 O 0.7275(11) 0.273(3) 0.5563(13) 0.0504(19) Uani 0.5 1 d . U . A 2
O19 O 0.6605(3) 0.1151(9) 0.2102(5) 0.013(2) Uani 1 1 d . U . . .
H19 H 0.6800 0.1774 0.2189 0.016 Uiso 1 1 calc R . . B .
O22 O 0.6950(3) 0.1155(9) 0.3588(5) 0.012(2) Uani 1 1 d . U . . .
H22 H 0.7073 0.1778 0.3359 0.015 Uiso 1 1 calc R . . B .
O17 O 0.7500 0.1142(13) 0.1174(7) 0.015(3) Uani 1 2 d S TU P B .
H17 H 0.7500 0.1768 0.1457 0.018 Uiso 1 2 calc RS T P . .
O23 O 0.8119(6) 0.0000 0.4741(8) 0.028(4) Uani 1 2 d S TU P . .
H23 H 0.8026 0.0000 0.5177 0.033 Uiso 1 2 calc RS T P B .
O20 O 0.5800(6) 0.0000 0.2393(8) 0.025(4) Uani 1 2 d S TU P B .
H20 H 0.5532 0.0000 0.2655 0.030 Uiso 1 2 calc RS T P . .
O21 O 0.6168(5) 0.0000 0.4011(7) 0.016(3) Uani 1 2 d S TU P B .
H21 H 0.5841 0.0000 0.4016 0.019 Uiso 1 2 calc RS T P . .
O18 O 0.6074(5) 0.0000 0.1226(8) 0.021(4) Uani 1 2 d S TU P B .
H18 H 0.5967 0.0000 0.0797 0.025 Uiso 1 2 calc RS T P . .
O2W O 0.6324(6) 0.3369(11) 0.1969(8) 0.049(4) Uani 1 1 d . . . . .
H2WA H 0.6394 0.3430 0.2367 0.073 Uiso 1 1 d GR . . . .
H2WB H 0.6588 0.3331 0.1785 0.073 Uiso 1 1 d GR . . . .
O9 O 0.5129(6) 0.1129(15) 0.1480(8) 0.0591(19) Uani 1 1 d . U . . .
O3W O 0.6763(5) 0.3367(11) 0.3929(7) 0.041(4) Uani 1 1 d . . . . .
H3WA H 0.7023 0.3244 0.3774 0.061 Uiso 1 1 d GR . . . .
H3WB H 0.6602 0.3517 0.3608 0.061 Uiso 1 1 d GR . . . .
O1W O 0.7500 0.3352(17) 0.0748(14) 0.055(7) Uani 1 2 d S T P B .
O10 O 0.6083(5) 0.1792(12) 0.3164(8) 0.048(2) Uani 1 1 d . U . . .
O2 O 0.6029(6) 0.1119(14) 0.5320(7) 0.0507(18) Uani 1 1 d . U . . .
O15 O 0.7500 0.111(2) -0.0973(12) 0.0600(19) Uani 1 2 d S TU P B .
O5 O 0.7500 0.1741(19) 0.4592(10) 0.050(2) Uani 1 2 d S TU P A .
O11 O 0.6628(6) 0.1780(15) 0.0844(8) 0.0596(18) Uani 1 1 d D U . . .
O8 O 0.5402(6) 0.3260(15) 0.1549(8) 0.0600(19) Uani 1 1 d D U . . .
O3 O 0.6200(6) 0.3247(13) 0.5018(7) 0.0511(18) Uani 1 1 d . U . . .
O16 O 0.7069(5) 0.0000 0.0208(6) 0.014(3) Uani 1 2 d S TU P B .
H16 H 0.6807 0.0000 -0.0065 0.017 Uiso 1 2 calc RS T P . .
O4A O 0.5491(9) 0.274(2) 0.3728(17) 0.048(2) Uani 0.5 1 d . U . B 1
O12 O 0.6405(12) 0.275(3) -0.0129(16) 0.0595(18) Uani 0.5 1 d . U . C 1
O14 O 0.7500 0.327(2) -0.0577(12) 0.0602(19) Uani 1 2 d DS TU P B .
O1 O 0.6836(12) 0.170(3) 0.6938(14) 0.051(2) Uani 0.5 1 d D U . . .
H1 H 0.6803 0.1140 0.6734 0.077 Uiso 0.5 1 calc GR . . . .
O6 O 0.5329(9) 0.269(2) 0.3148(17) 0.048(3) Uani 0.5 1 d . U . B 2
O6A O 0.5997(12) 0.261(3) 0.0221(16) 0.0595(18) Uani 0.5 1 d . U . C 2
O1A O 0.4845(12) 0.326(3) 0.5475(14) 0.052(2) Uani 0.5 1 d . U . B -1
H1A H 0.4668 0.3745 0.5389 0.078 Uiso 0.5 1 calc R . . B -1
O7A O 0.5146(12) 0.369(3) -0.0215(12) 0.061(2) Uani 0.5 1 d D U . C -1
H7A H 0.5310 0.3652 -0.0519 0.092 Uiso 0.5 1 calc R . . C -1
O13 O 0.6249(12) 0.376(3) -0.1318(16) 0.061(2) Uani 0.5 1 d D U . . .
H13 H 0.6034 0.3742 -0.1552 0.092 Uiso 0.5 1 calc R . . . .
O7 O 0.4240(12) 0.172(3) 0.2906(16) 0.073(5) Uani 0.5 1 d D U . . .
H7 H 0.4324 0.1710 0.3268 0.109 Uiso 0.5 1 calc R . . . .
N1A N 0.5599(11) 0.204(3) 0.431(2) 0.048(2) Uani 0.5 1 d . U . B -1
H1AA H 0.5422 0.1416 0.4165 0.057 Uiso 0.5 1 calc R . . B -1
N2A N 0.5667(15) 0.196(4) 0.054(2) 0.0594(17) Uani 0.5 1 d . U . C -1
H2A H 0.5708 0.1363 0.0336 0.071 Uiso 0.5 1 calc R . . C -1
N3 N 0.6726(15) 0.209(4) -0.0509(17) 0.0597(17) Uani 0.5 1 d D U . B 2
H3 H 0.6530 0.1456 -0.0538 0.072 Uiso 0.5 1 calc R . . B 2
N2 N 0.5201(15) 0.199(5) 0.2595(19) 0.072(5) Uani 0.5 1 d . U . B 1
H2 H 0.5136 0.1374 0.2872 0.086 Uiso 0.5 1 calc R . . B 1
N1 N 0.6845(15) 0.197(4) 0.5593(17) 0.0504(18) Uani 0.5 1 d . U . A 1
H1B H 0.7000 0.1338 0.5763 0.060 Uiso 0.5 1 calc R . . A 1
C15 C 0.7147(18) 0.161(4) -0.140(2) 0.0600(19) Uani 0.5 1 d D U . . .
H15A H 0.7296 0.1900 -0.1759 0.072 Uiso 0.5 1 calc R . . C .
H15B H 0.6952 0.1024 -0.1537 0.072 Uiso 0.5 1 calc R . . . .
C12 C 0.5769(7) 0.2240(19) 0.3294(11) 0.048(2) Uani 1 1 d D U . . .
C18 C 0.6418(10) 0.225(2) 0.0450(13) 0.0594(17) Uani 1 1 d . U . . .
C13 C 0.6863(15) 0.249(3) -0.1116(18) 0.0600(18) Uani 0.5 1 d D U . B .
C8A C 0.499(3) 0.261(3) -0.005(3) 0.0599(18) Uani 0.5 1 d D U . C -1
H8AA H 0.5097 0.2070 -0.0344 0.072 Uiso 0.5 1 calc R . . C -1
H8AB H 0.4671 0.2579 -0.0022 0.072 Uiso 0.5 1 calc R . . C -1
C6 C 0.7500 0.226(3) 0.5066(15) 0.0503(19) Uani 1 2 d S TU P . .
C11A C 0.6019(11) 0.241(4) 0.081(3) 0.0593(17) Uani 0.5 1 d D U . C -1
H11A H 0.6061 0.2184 0.1240 0.071 Uiso 0.5 1 d R . . C -1
H11B H 0.5943 0.3177 0.0808 0.071 Uiso 0.5 1 d R . . C -1
C7 C 0.4814(17) 0.242(4) 0.225(2) 0.072(5) Uani 0.5 1 d D U . . .
C5 C 0.7027(17) 0.237(4) 0.509(2) 0.0503(19) Uani 0.5 1 d . U . A 1
H5A H 0.6953 0.3141 0.5059 0.060 Uiso 0.5 1 calc R . . A 1
H5B H 0.6899 0.2009 0.4731 0.060 Uiso 0.5 1 calc R . . A 1
C2A C 0.499(2) 0.270(3) 0.490(2) 0.0512(19) Uani 0.5 1 d D U . B -1
H2AA H 0.4825 0.2023 0.4855 0.061 Uiso 0.5 1 calc R . . B -1
H2AB H 0.4917 0.3157 0.4544 0.061 Uiso 0.5 1 calc R . . B -1
C11 C 0.5605(13) 0.241(4) 0.2653(14) 0.047(2) Uani 0.5 1 d D U . B 1
H11C H 0.5595 0.3182 0.2561 0.057 Uiso 0.5 1 calc R . . B 1
H11D H 0.5806 0.2063 0.2361 0.057 Uiso 0.5 1 calc R . . B 1
C9A C 0.5219(19) 0.346(4) 0.0927(11) 0.0598(18) Uani 0.5 1 d D U . C -1
H9AA H 0.5406 0.3981 0.0709 0.072 Uiso 0.5 1 calc R . . C -1
H9AB H 0.4922 0.3774 0.0963 0.072 Uiso 0.5 1 calc R . . C -1
C17 C 0.6789(19) 0.233(5) -0.0034(15) 0.0595(17) Uani 0.5 1 d D U . B 2
H17A H 0.6895 0.3076 -0.0029 0.071 Uiso 0.5 1 d R . . B 2
H17B H 0.7033 0.1876 0.0112 0.071 Uiso 0.5 1 d R . . B 2
C5A C 0.5875(13) 0.236(4) 0.3960(14) 0.048(2) Uani 0.5 1 d D U . B -1
H5AA H 0.6152 0.1982 0.4044 0.057 Uiso 0.5 1 calc R . . B -1
H5AB H 0.5926 0.3130 0.4044 0.057 Uiso 0.5 1 calc R . . B -1
C9 C 0.5019(13) 0.340(4) 0.1944(16) 0.072(5) Uani 0.5 1 d D U . C .
H9A H 0.4788 0.3750 0.1700 0.086 Uiso 0.5 1 calc R . . . .
H9B H 0.5102 0.3901 0.2271 0.086 Uiso 0.5 1 calc R . . . .
C3A C 0.5519(16) 0.157(4) 0.534(2) 0.0508(18) Uani 0.5 1 d D U . B -1
H3AA H 0.5315 0.0985 0.5229 0.061 Uiso 0.5 1 calc R . . B -1
H3AB H 0.5447 0.1818 0.5751 0.061 Uiso 0.5 1 calc R . . B -1
C8 C 0.4411(17) 0.269(4) 0.260(2) 0.072(5) Uani 0.5 1 d D U . C .
H8A H 0.4482 0.3243 0.2912 0.087 Uiso 0.5 1 calc R . . . .
H8B H 0.4185 0.2992 0.2327 0.087 Uiso 0.5 1 calc R . . . .
C7A C 0.5197(16) 0.241(3) 0.0570(16) 0.0596(17) Uani 0.5 1 d D U . C -1
C3 C 0.6151(18) 0.146(4) 0.600(2) 0.0507(18) Uani 0.5 1 d . U . B .
H3A H 0.5882 0.1675 0.6219 0.061 Uiso 0.5 1 calc R . . . .
H3B H 0.6281 0.0845 0.6216 0.061 Uiso 0.5 1 calc R . . . .
C14 C 0.6542(17) 0.286(4) -0.145(3) 0.0602(19) Uani 0.5 1 d D U . . .
H14A H 0.6346 0.2237 -0.1514 0.072 Uiso 0.5 1 calc R . . C .
H14B H 0.6674 0.3016 -0.1849 0.072 Uiso 0.5 1 calc R . . . .
C2 C 0.6610(17) 0.257(3) 0.6646(19) 0.0508(19) Uani 0.5 1 d D U . B .
H2B H 0.6798 0.3209 0.6673 0.061 Uiso 0.5 1 calc R . . . .
H2C H 0.6341 0.2716 0.6882 0.061 Uiso 0.5 1 calc R . . . .
C16 C 0.7165(14) 0.344(4) -0.102(2) 0.0601(19) Uani 0.5 1 d D U . B -1
H16A H 0.7306 0.3609 -0.1416 0.072 Uiso 0.5 1 calc R . . B -1
H16B H 0.6987 0.4062 -0.0902 0.072 Uiso 0.5 1 calc R . . B -1
C1 C 0.6485(17) 0.242(4) 0.600(2) 0.0507(18) Uani 0.5 1 d D U . . .
C10 C 0.4730(17) 0.148(5) 0.1812(17) 0.072(5) Uani 0.5 1 d D U . C .
H10A H 0.4611 0.0874 0.2046 0.086 Uiso 0.5 1 calc R . . . .
H10B H 0.4505 0.1701 0.1512 0.086 Uiso 0.5 1 calc R . . . .
C4 C 0.6326(19) 0.345(3) 0.570(2) 0.0509(18) Uani 0.5 1 d D U . B .
H4A H 0.6560 0.3998 0.5720 0.061 Uiso 0.5 1 calc R . . . .
H4B H 0.6069 0.3731 0.5922 0.061 Uiso 0.5 1 calc R . . . .
C4A C 0.5740(18) 0.342(4) 0.506(2) 0.0510(18) Uani 0.5 1 d . U . B -1
H4AA H 0.5659 0.4027 0.4797 0.061 Uiso 0.5 1 calc R . . B -1
H4AB H 0.5669 0.3632 0.5488 0.061 Uiso 0.5 1 calc R . . B -1
C10A C 0.4938(10) 0.152(4) 0.0836(15) 0.0593(18) Uani 0.5 1 d D U . C -1
H10C H 0.4936 0.0916 0.0548 0.071 Uiso 0.5 1 calc R . . C -1
H10D H 0.4631 0.1761 0.0892 0.071 Uiso 0.5 1 calc R . . C -1
C1A C 0.5467(18) 0.247(4) 0.490(2) 0.0510(18) Uani 0.5 1 d . U . B -1
O25 O 0.7109(18) 0.281(4) 0.271(2) 0.095(5) Uani 0.5 1 d . U . . .
O26 O 0.717(3) 0.286(9) 0.212(5) 0.095(5) Uani 0.25 1 d . U . . .
N4 N 0.7500 0.310(4) 0.2525(18) 0.095(5) Uani 1 2 d DS TU P . .
O24A O 0.7500 0.291(3) 0.2002(17) 0.095(5) Uani 1 2 d DS TU P . .
Cl2 Cl 0.5118(3) 0.0000 0.3568(5) 0.061(2) Uani 1 2 d S T P . .
Cl3 Cl 0.6198(3) 0.5000 0.3102(4) 0.054(2) Uani 1 2 d S T P . .
Cl4 Cl 0.6019(3) 0.0000 -0.0274(5) 0.069(3) Uani 1 2 d S TU P . .
Cl5 Cl 0.7500 0.0000 0.5965(8) 0.113(8) Uani 1 4 d S T P . .
Cl6 Cl 0.7500 0.5000 0.4450(5) 0.037(2) Uani 1 4 d S T P . .
Cl7 Cl 0.8307(3) 0.5000 0.0995(5) 0.068(3) Uani 1 2 d S T P . .
O24 O 0.7500 0.290(8) 0.306(4) 0.12(3) Uani 0.5 2 d S TU P . .


_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
Eu1 Eu3 3.7357(15) . ?
Eu1 Eu4 3.7446(15) . ?
Eu1 O19 2.360(10) . ?
Eu1 O20 2.430(10) . ?
Eu1 O18 2.421(9) . ?
Eu1 O2W 2.524(15) . ?
Eu1 O9 2.425(18) . ?
Eu1 O10 3.050(19) . ?
Eu1 O11 3.017(18) . ?
Eu1 O8 2.488(18) . ?
Eu1 N2A 2.77(4) . ?
Eu1 N2 2.72(4) . ?
Eu1 H11A 1.4392 . ?
Eu1 H11B 2.8148 . ?
Eu2 Eu3 3.7496(17) . ?
Eu2 O17 2.347(15) . ?
Eu2 O1W 2.49(2) . ?
Eu2 O15 2.45(3) . ?
Eu2 O11 3.044(18) 8_755 ?
Eu2 O11 3.044(18) . ?
Eu2 O16 2.406(9) . ?
Eu2 O16 2.406(9) 2_655 ?
Eu2 O14 2.50(2) . ?
Eu2 N3 2.74(5) 8_755 ?
Eu2 N3 2.74(5) . ?
Eu2 C17 2.31(6) 8_755 ?
Eu2 H17A 2.5421 . ?
Eu2 H17B 1.4268 . ?
Eu3 Eu1 3.7357(15) 7 ?
Eu3 Eu2 3.7496(17) 2_655 ?
Eu3 Cl1 3.227(6) . ?
Eu3 O19 2.373(10) 7 ?
Eu3 O19 2.373(10) . ?
Eu3 O17 2.368(9) . ?
Eu3 O17 2.368(9) 2_655 ?
Eu3 O18 2.385(16) . ?
Eu3 O11 2.498(17) . ?
Eu3 O11 2.498(17) 7 ?
Eu3 O16 2.422(14) . ?
Eu4 Eu1 3.7445(15) 7 ?
Eu4 Eu5 3.7508(16) 7 ?
Eu4 Cl1 3.208(3) . ?
Eu4 O19 2.384(11) 7 ?
Eu4 O19 2.384(11) . ?
Eu4 O22 2.387(10) . ?
Eu4 O22 2.387(10) 7 ?
Eu4 O20 2.402(18) . ?
Eu4 O21 2.420(15) . ?
Eu4 O10 2.534(14) 7 ?
Eu4 O10 2.534(14) . ?
Eu5 Eu6 3.7383(12) . ?
Eu5 O22 2.370(10) . ?
Eu5 O23 2.421(10) 2_655 ?
Eu5 O21 2.434(9) . ?
Eu5 O3W 2.507(14) . ?
Eu5 O10 3.021(19) . ?
Eu5 O2 2.442(16) . ?
Eu5 O5 3.030(3) . ?
Eu5 O3 2.479(16) . ?
Eu5 N1A 2.74(3) . ?
Eu5 N1 2.72(4) . ?
Eu6 Eu5 3.7383(12) 2_655 ?
Eu6 Eu5 3.7383(12) 8_755 ?
Eu6 Eu5 3.7383(12) 7 ?
Eu6 Cl1 3.264(8) . ?
Eu6 O22 2.369(10) 2_655 ?
Eu6 O22 2.369(10) 7 ?
Eu6 O22 2.369(10) . ?
Eu6 O22 2.369(10) 8_755 ?
Eu6 O23 2.412(17) 2_655 ?
Eu6 O23 2.412(17) . ?
Eu6 O5 2.46(2) . ?
Eu6 O5 2.46(2) 2_655 ?
Cl1 Eu3 3.227(6) 2_655 ?
Cl1 Eu4 3.207(3) 2_655 ?
O4 O4 1.35(7) 8_755 ?
O4 C6 1.39(4) . ?
O19 H19 0.9800 . ?
O22 H22 0.9800 . ?
O17 Eu3 2.368(9) 2_655 ?
O17 H17 0.9800 . ?
O23 Eu5 2.421(10) 8_755 ?
O23 Eu5 2.421(10) 2_655 ?
O23 H23 0.9800 . ?
O20 Eu1 2.430(10) 7 ?
O20 H20 0.9800 . ?
O21 Eu5 2.434(9) 7 ?
O21 H21 0.9800 . ?
O18 Eu1 2.421(9) 7 ?
O18 H18 0.9800 . ?
O2W H2WA 0.8863 . ?
O2W H2WB 0.8868 . ?
O9 C10 1.46(5) . ?
O9 C10A 1.58(3) . ?
O3W H3WA 0.8603 . ?
O3W H3WB 0.8615 . ?
O10 C12 1.12(2) . ?
O2 C3A 1.62(5) . ?
O2 C3 1.57(5) . ?
O15 C15 1.52(5) . ?
O15 C15 1.52(5) 8_755 ?
O5 Eu5 3.030(3) 8_755 ?
O5 C6 1.20(4) . ?
O11 C18 1.20(3) . ?
O8 C9A 1.47(4) . ?
O8 C9 1.438(19) . ?
O3 C4 1.54(5) . ?
O3 C4A 1.40(6) . ?
O16 Eu2 2.406(9) 2_655 ?
O16 H16 0.9800 . ?
O4A N1A 1.56(5) . ?
O4A C12 1.39(4) . ?
O4A C5A 1.33(5) . ?
O12 C18 1.39(4) . ?
O14 C16 1.40(2) . ?
O1 H1 0.8200 . ?
O1 C2 1.41(2) . ?
O6 C12 1.46(4) . ?
O6A C18 1.43(5) . ?
O1A H1A 0.8200 . ?
O1A C2A 1.48(6) . ?
O7A H7A 0.8200 . ?
O7A C8A 1.45(2) . ?
O13 H13 0.8200 . ?
O13 C14 1.45(2) . ?
O7 H7 0.8200 . ?
O7 C8 1.45(2) . ?
N1A H1AA 0.9800 . ?
N1A C5A 1.19(5) . ?
N1A C1A 1.42(6) . ?
N2A H2A 0.8600 . ?
N2A C11A 1.33(6) . ?
N2A C7A 1.52(7) . ?
N3 H3 0.9800 . ?
N3 C13 1.45(2) . ?
N3 C17 1.08(6) . ?
N2 H2 0.9800 . ?
N2 C7 1.48(6) . ?
N2 C11 1.32(7) . ?
N1 H1B 0.9800 . ?
N1 C5 1.31(6) . ?
N1 C1 1.50(6) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 C13 1.51(2) . ?
C12 C11 1.48(2) . ?
C12 C5A 1.48(2) . ?
C18 C11A 1.44(5) . ?
C18 C17 1.53(5) . ?
C13 C14 1.28(6) . ?
C13 C16 1.49(2) . ?
C8A H8AA 0.9700 . ?
C8A H8AB 0.9700 . ?
C8A C7A 1.48(2) . ?
C6 O4 1.39(4) 8_755 ?
C6 C5 1.42(5) 8_755 ?
C6 C5 1.42(5) . ?
C11A H11A 0.9710 . ?
C11A H11B 0.9704 . ?
C7 C9 1.502(15) . ?
C7 C8 1.47(7) . ?
C7 C10 1.50(2) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C2A H2AA 0.9700 . ?
C2A H2AB 0.9700 . ?
C2A C1A 1.46(8) . ?
C11 H11C 0.9700 . ?
C11 H11D 0.9700 . ?
C9A H9AA 0.9700 . ?
C9A H9AB 0.9700 . ?
C9A C7A 1.50(2) . ?
C17 H17A 0.9702 . ?
C17 H17B 0.9707 . ?
C5A H5AA 0.9700 . ?
C5A H5AB 0.9700 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C3A H3AA 0.9700 . ?
C3A H3AB 0.9700 . ?
C3A C1A 1.46(7) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C7A C10A 1.46(2) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C3 C1 1.54(7) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C2 H2B 0.9700 . ?
C2 H2C 0.9700 . ?
C2 C1 1.44(6) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C1 C4 1.51(2) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C4A H4AA 0.9700 . ?
C4A H4AB 0.9700 . ?
C4A C1A 1.47(7) . ?
C10A H10C 0.9700 . ?
C10A H10D 0.9700 . ?
O25 O26 1.27(10) . ?
O25 N4 1.28(5) . ?
O25 O24 1.40(7) . ?
O26 N4 1.35(11) . ?
O26 O24A 1.02(10) . ?
N4 O25 1.28(5) 8_755 ?
N4 O26 1.35(11) 8_755 ?
N4 O24A 1.15(2) . ?
N4 O24 1.18(9) . ?
O24A O26 1.02(10) 8_755 ?
O24 O25 1.40(7) 8_755 ?

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
Eu3 Eu1 Eu4 61.07(3) . . ?
Eu3 Eu1 H11A 73.9 . . ?
Eu3 Eu1 H11B 95.8 . . ?
Eu4 Eu1 H11A 128.3 . . ?
Eu4 Eu1 H11B 147.1 . . ?
O19 Eu1 Eu3 38.0(2) . . ?
O19 Eu1 Eu4 38.1(3) . . ?
O19 Eu1 O20 73.4(5) . . ?
O19 Eu1 O18 73.0(5) . . ?
O19 Eu1 O2W 71.6(5) . . ?
O19 Eu1 O9 149.6(5) . . ?
O19 Eu1 O10 62.8(3) . . ?
O19 Eu1 O11 61.8(4) . . ?
O19 Eu1 O8 142.5(5) . . ?
O19 Eu1 N2A 122.0(10) . . ?
O19 Eu1 N2 122.4(9) . . ?
O19 Eu1 H11A 90.5 . . ?
O19 Eu1 H11B 109.3 . . ?
O20 Eu1 Eu3 77.2(4) . . ?
O20 Eu1 Eu4 38.9(4) . . ?
O20 Eu1 O2W 131.2(5) . . ?
O20 Eu1 O10 62.3(5) . . ?
O20 Eu1 O11 118.7(5) . . ?
O20 Eu1 O8 135.5(6) . . ?
O20 Eu1 N2A 127.9(11) . . ?
O20 Eu1 N2 72.6(12) . . ?
O20 Eu1 H11A 148.8 . . ?
O20 Eu1 H11B 164.9 . . ?
O18 Eu1 Eu3 38.6(4) . . ?
O18 Eu1 Eu4 76.8(4) . . ?
O18 Eu1 O20 66.1(5) . . ?
O18 Eu1 O2W 130.6(6) . . ?
O18 Eu1 O9 82.6(6) . . ?
O18 Eu1 O10 118.8(4) . . ?
O18 Eu1 O11 62.4(5) . . ?
O18 Eu1 O8 134.7(6) . . ?
O18 Eu1 N2A 72.1(11) . . ?
O18 Eu1 N2 128.7(14) . . ?
O18 Eu1 H11A 83.8 . . ?
O18 Eu1 H11B 100.0 . . ?
O2W Eu1 Eu3 94.6(4) . . ?
O2W Eu1 Eu4 94.9(4) . . ?
O2W Eu1 O10 71.9(5) . . ?
O2W Eu1 O11 70.9(5) . . ?
O2W Eu1 N2A 99.5(11) . . ?
O2W Eu1 N2 99.3(14) . . ?
O2W Eu1 H11A 63.5 . . ?
O2W Eu1 H11B 62.0 . . ?
O9 Eu1 Eu3 121.2(4) . . ?
O9 Eu1 Eu4 119.2(4) . . ?
O9 Eu1 O20 80.4(6) . . ?
O9 Eu1 O2W 138.7(6) . . ?
O9 Eu1 O10 117.4(5) . . ?
O9 Eu1 O11 121.6(5) . . ?
O9 Eu1 O8 67.9(6) . . ?
O9 Eu1 N2A 64.3(10) . . ?
O9 Eu1 N2 61.3(12) . . ?
O9 Eu1 H11A 104.7 . . ?
O9 Eu1 H11B 92.3 . . ?
O10 Eu1 Eu3 98.3(3) . . ?
O10 Eu1 Eu4 42.3(3) . . ?
O10 Eu1 H11A 133.5 . . ?
O10 Eu1 H11B 132.6 . . ?
O11 Eu1 Eu3 41.8(3) . . ?
O11 Eu1 Eu4 97.5(3) . . ?
O11 Eu1 O10 120.1(4) . . ?
O11 Eu1 H11A 32.6 . . ?
O11 Eu1 H11B 54.4 . . ?
O8 Eu1 Eu3 146.1(4) . . ?
O8 Eu1 Eu4 147.6(4) . . ?
O8 Eu1 O2W 70.9(6) . . ?
O8 Eu1 O10 105.4(5) . . ?
O8 Eu1 O11 104.6(5) . . ?
O8 Eu1 N2A 64.4(11) . . ?
O8 Eu1 N2 65.1(11) . . ?
O8 Eu1 H11A 72.2 . . ?
O8 Eu1 H11B 50.4 . . ?
N2A Eu1 Eu3 89.3(10) . . ?
N2A Eu1 Eu4 148.0(10) . . ?
N2A Eu1 O10 168.8(11) . . ?
N2A Eu1 O11 61.3(10) . . ?
N2A Eu1 H11A 41.2 . . ?
N2A Eu1 H11B 37.7 . . ?
N2 Eu1 Eu3 148.8(10) . . ?
N2 Eu1 Eu4 89.8(9) . . ?
N2 Eu1 O10 60.6(10) . . ?
N2 Eu1 O11 168.2(13) . . ?
N2 Eu1 N2A 115.5(13) . . ?
N2 Eu1 H11A 137.3 . . ?
N2 Eu1 H11B 115.5 . . ?
H11A Eu1 H11B 21.9 . . ?
Eu3 Eu2 H17A 95.7 . . ?
Eu3 Eu2 H17B 67.8 . . ?
O17 Eu2 Eu3 37.5(2) . . ?
O17 Eu2 O1W 72.5(7) . . ?
O17 Eu2 O15 149.1(7) . . ?
O17 Eu2 O11 61.4(3) . . ?
O17 Eu2 O11 61.4(3) . 8_755 ?
O17 Eu2 O16 72.8(5) . . ?
O17 Eu2 O16 72.8(5) . 2_655 ?
O17 Eu2 O14 142.4(7) . . ?
O17 Eu2 N3 122.1(8) . . ?
O17 Eu2 N3 122.1(8) . 8_755 ?
O17 Eu2 H17A 107.8 . . ?
O17 Eu2 H17B 93.9 . . ?
O1W Eu2 Eu3 95.0(5) . . ?
O1W Eu2 O11 71.3(4) . 8_755 ?
O1W Eu2 O11 71.3(4) . . ?
O1W Eu2 O14 69.9(8) . . ?
O1W Eu2 N3 95.8(11) . . ?
O1W Eu2 N3 95.8(11) . 8_755 ?
O1W Eu2 H17A 59.4 . . ?
O1W Eu2 H17B 81.1 . . ?
O15 Eu2 Eu3 120.4(5) . . ?
O15 Eu2 O1W 138.3(9) . . ?
O15 Eu2 O11 120.4(3) . 8_755 ?
O15 Eu2 O11 120.4(3) . . ?
O15 Eu2 O14 68.4(9) . . ?
O15 Eu2 N3 64.9(9) . . ?
O15 Eu2 N3 64.9(9) . 8_755 ?
O15 Eu2 H17A 93.5 . . ?
O15 Eu2 H17B 92.1 . . ?
O11 Eu2 Eu3 41.5(3) . . ?
O11 Eu2 Eu3 96.7(3) 8_755 . ?
O11 Eu2 O11 118.2(7) 8_755 . ?
O11 Eu2 H17A 54.4 . . ?
O11 Eu2 H17A 129.9 8_755 . ?
O11 Eu2 H17B 147.1 8_755 . ?
O11 Eu2 H17B 32.5 . . ?
O16 Eu2 Eu3 76.5(3) 2_655 . ?
O16 Eu2 Eu3 39.2(3) . . ?
O16 Eu2 O1W 131.7(5) 2_655 . ?
O16 Eu2 O1W 131.7(5) . . ?
O16 Eu2 O15 81.3(6) 2_655 . ?
O16 Eu2 O15 81.3(6) . . ?
O16 Eu2 O11 117.8(5) . 8_755 ?
O16 Eu2 O11 117.8(5) 2_655 . ?
O16 Eu2 O11 62.9(5) . . ?
O16 Eu2 O11 62.9(5) 2_655 8_755 ?
O16 Eu2 O16 65.0(6) 2_655 . ?
O16 Eu2 O14 135.7(5) 2_655 . ?
O16 Eu2 O14 135.7(5) . . ?
O16 Eu2 N3 131.2(11) 2_655 . ?
O16 Eu2 N3 131.2(11) . 8_755 ?
O16 Eu2 N3 75.6(10) 2_655 8_755 ?
O16 Eu2 N3 75.6(10) . . ?
O16 Eu2 H17A 166.3 2_655 . ?
O16 Eu2 H17A 101.9 . . ?
O16 Eu2 H17B 68.9 . . ?
O16 Eu2 H17B 133.8 2_655 . ?
O14 Eu2 Eu3 146.8(2) . . ?
O14 Eu2 O11 105.4(4) . 8_755 ?
O14 Eu2 O11 105.4(4) . . ?
O14 Eu2 N3 62.7(9) . . ?
O14 Eu2 N3 62.7(9) . 8_755 ?
O14 Eu2 H17A 51.1 . . ?
O14 Eu2 H17B 80.4 . . ?
N3 Eu2 Eu3 150.3(9) 8_755 . ?
N3 Eu2 Eu3 90.9(8) . . ?
N3 Eu2 O11 61.2(8) . . ?
N3 Eu2 O11 165.4(11) 8_755 . ?
N3 Eu2 O11 165.4(11) . 8_755 ?
N3 Eu2 O11 61.2(8) 8_755 8_755 ?
N3 Eu2 N3 115.3(15) . 8_755 ?
N3 Eu2 H17A 113.6 8_755 . ?
N3 Eu2 H17A 36.5 . . ?
N3 Eu2 H17B 28.8 . . ?
N3 Eu2 H17B 141.3 8_755 . ?
C17 Eu2 Eu3 139.2(6) 8_755 . ?
C17 Eu2 O17 103.7(7) 8_755 . ?
C17 Eu2 O1W 77.0(14) 8_755 . ?
C17 Eu2 O15 87.5(10) 8_755 . ?
C17 Eu2 O11 147.8(14) 8_755 . ?
C17 Eu2 O11 42.7(6) 8_755 8_755 ?
C17 Eu2 O16 79.6(13) 8_755 2_655 ?
C17 Eu2 O16 144.0(14) 8_755 . ?
C17 Eu2 O14 67.9(9) 8_755 . ?
C17 Eu2 N3 22.7(13) 8_755 8_755 ?
C17 Eu2 N3 129.3(11) 8_755 . ?
C17 Eu2 H17A 112.9 8_755 . ?
C17 Eu2 H17B 146.1 8_755 . ?
H17A Eu2 H17B 33.3 . . ?
Eu1 Eu3 Eu1 65.64(4) 7 . ?
Eu1 Eu3 Eu2 107.18(3) 7 2_655 ?
Eu1 Eu3 Eu2 151.60(4) . 2_655 ?
Cl1 Eu3 Eu1 103.82(7) . . ?
Cl1 Eu3 Eu1 103.82(7) . 7 ?
Cl1 Eu3 Eu2 104.57(7) . 2_655 ?
O19 Eu3 Eu1 37.8(3) 7 7 ?
O19 Eu3 Eu1 37.8(3) . . ?
O19 Eu3 Eu1 81.6(3) 7 . ?
O19 Eu3 Eu1 81.6(3) . 7 ?
O19 Eu3 Eu2 109.9(3) 7 2_655 ?
O19 Eu3 Eu2 169.2(3) . 2_655 ?
O19 Eu3 Cl1 66.6(3) 7 . ?
O19 Eu3 Cl1 66.6(3) . . ?
O19 Eu3 O19 73.0(5) 7 . ?
O19 Eu3 O18 73.4(4) . . ?
O19 Eu3 O18 73.4(4) 7 . ?
O19 Eu3 O11 70.7(5) . . ?
O19 Eu3 O11 135.2(5) 7 . ?
O19 Eu3 O11 70.7(5) 7 7 ?
O19 Eu3 O11 135.2(5) . 7 ?
O19 Eu3 O16 142.3(3) 7 . ?
O19 Eu3 O16 142.3(3) . . ?
O17 Eu3 Eu1 110.1(3) . . ?
O17 Eu3 Eu1 170.1(4) . 7 ?
O17 Eu3 Eu1 170.1(4) 2_655 . ?
O17 Eu3 Eu1 110.1(3) 2_655 7 ?
O17 Eu3 Eu2 37.1(3) 2_655 2_655 ?
O17 Eu3 Eu2 80.8(3) . 2_655 ?
O17 Eu3 Cl1 67.9(3) 2_655 . ?
O17 Eu3 Cl1 67.9(3) . . ?
O17 Eu3 O19 134.5(4) 2_655 . ?
O17 Eu3 O19 89.8(4) . . ?
O17 Eu3 O19 134.5(4) . 7 ?
O17 Eu3 O19 89.8(4) 2_655 7 ?
O17 Eu3 O17 72.6(6) 2_655 . ?
O17 Eu3 O18 142.1(3) . . ?
O17 Eu3 O18 142.1(3) 2_655 . ?
O17 Eu3 O11 70.7(5) 2_655 7 ?
O17 Eu3 O11 134.7(5) 2_655 . ?
O17 Eu3 O11 70.7(5) . . ?
O17 Eu3 O11 134.7(5) . 7 ?
O17 Eu3 O16 72.2(5) 2_655 . ?
O17 Eu3 O16 72.2(5) . . ?
O18 Eu3 Eu1 39.3(2) . . ?
O18 Eu3 Eu1 39.3(2) . 7 ?
O18 Eu3 Eu2 117.4(3) . 2_655 ?
O18 Eu3 Cl1 129.5(4) . . ?
O18 Eu3 O11 71.7(5) . 7 ?
O18 Eu3 O11 71.7(5) . . ?
O18 Eu3 O16 100.6(5) . . ?
O11 Eu3 Eu1 53.5(4) 7 7 ?
O11 Eu3 Eu1 110.7(4) 7 . ?
O11 Eu3 Eu1 53.5(4) . . ?
O11 Eu3 Eu1 110.7(4) . 7 ?
O11 Eu3 Eu2 110.7(4) . 2_655 ?
O11 Eu3 Eu2 53.9(4) 7 2_655 ?
O11 Eu3 Cl1 119.1(4) . . ?
O11 Eu3 Cl1 119.1(4) 7 . ?
O11 Eu3 O11 121.8(8) 7 . ?
O16 Eu3 Eu1 117.7(3) . 7 ?
O16 Eu3 Eu1 117.7(3) . . ?
O16 Eu3 Eu2 38.89(19) . 2_655 ?
O16 Eu3 Cl1 129.8(4) . . ?
O16 Eu3 O11 72.1(4) . 7 ?
O16 Eu3 O11 72.1(4) . . ?
Eu1 Eu4 Eu1 65.47(4) 7 . ?
Eu1 Eu4 Eu5 106.98(3) 7 7 ?
Eu1 Eu4 Eu5 151.24(5) . 7 ?
Cl1 Eu4 Eu1 104.02(11) . . ?
Cl1 Eu4 Eu1 104.02(11) . 7 ?
Cl1 Eu4 Eu5 104.74(11) . 7 ?
O19 Eu4 Eu1 81.3(3) 7 . ?
O19 Eu4 Eu1 81.3(3) . 7 ?
O19 Eu4 Eu1 37.7(2) 7 7 ?
O19 Eu4 Eu1 37.7(2) . . ?
O19 Eu4 Eu5 110.1(3) 7 7 ?
O19 Eu4 Eu5 169.8(3) . 7 ?
O19 Eu4 Cl1 66.9(3) 7 . ?
O19 Eu4 Cl1 66.9(3) . . ?
O19 Eu4 O19 72.7(5) . 7 ?
O19 Eu4 O22 134.3(4) 7 . ?
O19 Eu4 O22 134.3(4) . 7 ?
O19 Eu4 O22 89.7(4) 7 7 ?
O19 Eu4 O22 89.7(4) . . ?
O19 Eu4 O20 73.5(4) . . ?
O19 Eu4 O20 73.5(4) 7 . ?
O19 Eu4 O21 142.0(3) . . ?
O19 Eu4 O21 142.0(3) 7 . ?
O19 Eu4 O10 135.4(5) . 7 ?
O19 Eu4 O10 71.6(4) 7 7 ?
O19 Eu4 O10 71.6(4) . . ?
O19 Eu4 O10 135.4(5) 7 . ?
O22 Eu4 Eu1 169.6(3) . 7 ?
O22 Eu4 Eu1 110.0(3) 7 7 ?
O22 Eu4 Eu1 110.0(3) . . ?
O22 Eu4 Eu1 169.6(3) 7 . ?
O22 Eu4 Eu5 37.8(2) 7 7 ?
O22 Eu4 Eu5 81.5(3) . 7 ?
O22 Eu4 Cl1 67.4(3) 7 . ?
O22 Eu4 Cl1 67.4(3) . . ?
O22 Eu4 O22 72.8(5) 7 . ?
O22 Eu4 O20 142.0(3) . . ?
O22 Eu4 O20 142.0(3) 7 . ?
O22 Eu4 O21 73.8(4) . . ?
O22 Eu4 O21 73.8(4) 7 . ?
O22 Eu4 O10 71.0(5) 7 7 ?
O22 Eu4 O10 71.0(5) . . ?
O22 Eu4 O10 134.7(5) 7 . ?
O22 Eu4 O10 134.7(5) . 7 ?
O20 Eu4 Eu1 39.5(2) . . ?
O20 Eu4 Eu1 39.5(2) . 7 ?
O20 Eu4 Eu5 116.7(3) . 7 ?
O20 Eu4 Cl1 130.2(4) . . ?
O20 Eu4 O21 98.7(6) . . ?
O20 Eu4 O10 71.4(4) . . ?
O20 Eu4 O10 71.4(4) . 7 ?
O21 Eu4 Eu1 116.5(3) . 7 ?
O21 Eu4 Eu1 116.5(3) . . ?
O21 Eu4 Eu5 39.5(2) . 7 ?
O21 Eu4 Cl1 131.2(4) . . ?
O21 Eu4 O10 70.7(4) . . ?
O21 Eu4 O10 70.7(4) . 7 ?
O10 Eu4 Eu1 54.1(4) . . ?
O10 Eu4 Eu1 54.1(4) 7 7 ?
O10 Eu4 Eu1 110.5(4) 7 . ?
O10 Eu4 Eu1 110.5(4) . 7 ?
O10 Eu4 Eu5 109.8(4) . 7 ?
O10 Eu4 Eu5 53.3(4) 7 7 ?
O10 Eu4 Cl1 119.9(3) . . ?
O10 Eu4 Cl1 119.9(3) 7 . ?
O10 Eu4 O10 120.2(7) . 7 ?
Eu6 Eu5 Eu4 60.85(3) . . ?
O22 Eu5 Eu4 38.1(3) . . ?
O22 Eu5 Eu6 37.9(2) . . ?
O22 Eu5 O23 73.5(5) . 2_655 ?
O22 Eu5 O21 73.8(4) . . ?
O22 Eu5 O3W 71.9(4) . . ?
O22 Eu5 O10 62.7(4) . . ?
O22 Eu5 O2 149.5(5) . . ?
O22 Eu5 O5 61.4(5) . . ?
O22 Eu5 O3 142.9(5) . . ?
O22 Eu5 N1A 122.0(9) . . ?
O22 Eu5 N1 121.6(9) . . ?
O23 Eu5 Eu4 77.1(4) 2_655 . ?
O23 Eu5 Eu6 39.2(4) 2_655 . ?
O23 Eu5 O21 66.2(5) 2_655 . ?
O23 Eu5 O3W 131.8(5) 2_655 . ?
O23 Eu5 O10 119.0(5) 2_655 . ?
O23 Eu5 O2 80.9(6) 2_655 . ?
O23 Eu5 O5 61.8(6) 2_655 . ?
O23 Eu5 O3 134.2(6) 2_655 . ?
O23 Eu5 N1A 129.7(9) 2_655 . ?
O23 Eu5 N1 72.2(10) 2_655 . ?
O21 Eu5 Eu4 39.3(4) . . ?
O21 Eu5 Eu6 77.3(4) . . ?
O21 Eu5 O3W 131.2(5) . . ?
O21 Eu5 O10 62.4(4) . . ?
O21 Eu5 O2 80.9(5) . . ?
O21 Eu5 O5 118.0(6) . . ?
O21 Eu5 O3 134.8(5) . . ?
O21 Eu5 N1A 73.2(9) . . ?
O21 Eu5 N1 128.5(10) . . ?
O3W Eu5 Eu4 94.9(4) . . ?
O3W Eu5 Eu6 95.2(4) . . ?
O3W Eu5 O10 71.5(5) . . ?
O3W Eu5 O5 72.5(6) . . ?
O3W Eu5 N1A 97.2(9) . . ?
O3W Eu5 N1 99.0(10) . . ?
O10 Eu5 Eu4 42.3(3) . . ?
O10 Eu5 Eu6 98.1(3) . . ?
O10 Eu5 O5 120.1(5) . . ?
O2 Eu5 Eu4 120.1(4) . . ?
O2 Eu5 Eu6 120.0(4) . . ?
O2 Eu5 O3W 138.6(5) . . ?
O2 Eu5 O10 119.3(5) . . ?
O2 Eu5 O5 119.6(6) . . ?
O2 Eu5 O3 67.6(6) . . ?
O2 Eu5 N1A 64.2(10) . . ?
O2 Eu5 N1 63.4(10) . . ?
O5 Eu5 Eu4 96.8(4) . . ?
O5 Eu5 Eu6 41.0(4) . . ?
O3 Eu5 Eu4 147.6(4) . . ?
O3 Eu5 Eu6 146.6(4) . . ?
O3 Eu5 O3W 71.0(5) . . ?
O3 Eu5 O10 105.5(5) . . ?
O3 Eu5 O5 105.8(6) . . ?
O3 Eu5 N1A 64.3(10) . . ?
O3 Eu5 N1 64.3(10) . . ?
N1A Eu5 Eu4 89.9(9) . . ?
N1A Eu5 Eu6 149.1(9) . . ?
N1A Eu5 O10 59.9(9) . . ?
N1A Eu5 O5 168.1(10) . . ?
N1 Eu5 Eu4 148.1(9) . . ?
N1 Eu5 Eu6 89.3(9) . . ?
N1 Eu5 O10 168.4(10) . . ?
N1 Eu5 O5 61.0(10) . . ?
N1 Eu5 N1A 116.4(13) . . ?
Eu5 Eu6 Eu5 107.27(4) 7 2_655 ?
Eu5 Eu6 Eu5 152.26(7) 8_755 7 ?
Eu5 Eu6 Eu5 65.68(3) 8_755 2_655 ?
Cl1 Eu6 Eu5 103.87(3) . 7 ?
Cl1 Eu6 Eu5 103.87(3) . 8_755 ?
Cl1 Eu6 Eu5 103.87(3) . 2_655 ?
O22 Eu6 Eu5 109.3(3) . 8_755 ?
O22 Eu6 Eu5 82.0(3) 8_755 2_655 ?
O22 Eu6 Eu5 109.3(3) 7 2_655 ?
O22 Eu6 Eu5 82.0(3) . 7 ?
O22 Eu6 Eu5 168.5(3) 7 8_755 ?
O22 Eu6 Eu5 37.9(2) 7 7 ?
O22 Eu6 Eu5 168.5(3) . 2_655 ?
O22 Eu6 Eu5 168.5(3) 8_755 7 ?
O22 Eu6 Eu5 109.3(3) 2_655 7 ?
O22 Eu6 Eu5 37.9(2) 2_655 2_655 ?
O22 Eu6 Eu5 82.0(3) 2_655 8_755 ?
O22 Eu6 Eu5 37.9(2) 8_755 8_755 ?
O22 Eu6 Cl1 66.5(2) 8_755 . ?
O22 Eu6 Cl1 66.5(2) . . ?
O22 Eu6 Cl1 66.5(2) 2_655 . ?
O22 Eu6 Cl1 66.5(2) 7 . ?
O22 Eu6 O22 88.1(5) . 8_755 ?
O22 Eu6 O22 73.5(5) . 7 ?
O22 Eu6 O22 73.5(5) 8_755 2_655 ?
O22 Eu6 O22 133.0(5) 7 8_755 ?
O22 Eu6 O22 88.1(5) 7 2_655 ?
O22 Eu6 O22 133.0(5) . 2_655 ?
O22 Eu6 O23 73.7(4) 2_655 . ?
O22 Eu6 O23 142.1(3) 8_755 2_655 ?
O22 Eu6 O23 142.1(3) 7 . ?
O22 Eu6 O23 142.1(3) . . ?
O22 Eu6 O23 142.1(3) 2_655 2_655 ?
O22 Eu6 O23 73.7(4) . 2_655 ?
O22 Eu6 O23 73.7(4) 7 2_655 ?
O22 Eu6 O23 73.7(4) 8_755 . ?
O22 Eu6 O5 135.8(3) 8_755 2_655 ?
O22 Eu6 O5 71.2(4) 8_755 . ?
O22 Eu6 O5 71.2(4) 7 2_655 ?
O22 Eu6 O5 71.2(4) 2_655 2_655 ?
O22 Eu6 O5 135.8(3) . 2_655 ?
O22 Eu6 O5 71.2(4) . . ?
O22 Eu6 O5 135.8(3) 7 . ?
O22 Eu6 O5 135.8(3) 2_655 . ?
O23 Eu6 Eu5 117.8(4) 2_655 8_755 ?
O23 Eu6 Eu5 117.8(4) 2_655 2_655 ?
O23 Eu6 Eu5 39.4(2) . 2_655 ?
O23 Eu6 Eu5 39.4(2) 2_655 7 ?
O23 Eu6 Eu5 117.8(4) . 7 ?
O23 Eu6 Eu5 39.4(2) . 8_755 ?
O23 Eu6 Cl1 129.7(4) . . ?
O23 Eu6 Cl1 129.7(4) 2_655 . ?
O23 Eu6 O23 100.5(9) 2_655 . ?
O23 Eu6 O5 71.5(4) . 2_655 ?
O23 Eu6 O5 71.5(4) 2_655 2_655 ?
O23 Eu6 O5 71.5(4) . . ?
O23 Eu6 O5 71.5(4) 2_655 . ?
O5 Eu6 Eu5 53.86(5) . 8_755 ?
O5 Eu6 Eu5 110.6(3) . 7 ?
O5 Eu6 Eu5 53.86(5) 2_655 7 ?
O5 Eu6 Eu5 110.6(3) 2_655 8_755 ?
O5 Eu6 Eu5 110.6(3) . 2_655 ?
O5 Eu6 Eu5 53.86(5) 2_655 2_655 ?
O5 Eu6 Cl1 119.8(5) . . ?
O5 Eu6 Cl1 119.8(5) 2_655 . ?
O5 Eu6 O5 120.5(11) 2_655 . ?
Eu3 Cl1 Eu3 71.71(16) 2_655 . ?
Eu3 Cl1 Eu6 144.15(8) 2_655 . ?
Eu3 Cl1 Eu6 144.15(8) . . ?
Eu4 Cl1 Eu3 72.40(6) . . ?
Eu4 Cl1 Eu3 144.1(2) . 2_655 ?
Eu4 Cl1 Eu3 144.1(2) 2_655 . ?
Eu4 Cl1 Eu3 72.39(6) 2_655 2_655 ?
Eu4 Cl1 Eu4 143.5(3) 2_655 . ?
Eu4 Cl1 Eu6 71.75(13) . . ?
Eu4 Cl1 Eu6 71.75(13) 2_655 . ?
O4 O4 C6 61.1(15) 8_755 . ?
Eu1 O19 Eu3 104.2(4) . . ?
Eu1 O19 Eu4 104.2(4) . . ?
Eu1 O19 H19 113.8 . . ?
Eu3 O19 Eu4 106.1(4) . . ?
Eu3 O19 H19 113.8 . . ?
Eu4 O19 H19 113.8 . . ?
Eu4 O22 H22 113.9 . . ?
Eu5 O22 Eu4 104.1(4) . . ?
Eu5 O22 H22 113.9 . . ?
Eu6 O22 Eu4 105.8(4) . . ?
Eu6 O22 Eu5 104.2(4) . . ?
Eu6 O22 H22 113.9 . . ?
Eu2 O17 Eu3 105.4(4) . 2_655 ?
Eu2 O17 Eu3 105.4(4) . . ?
Eu2 O17 H17 113.2 . . ?
Eu3 O17 Eu3 105.9(6) 2_655 . ?
Eu3 O17 H17 113.2 2_655 . ?
Eu3 O17 H17 113.2 . . ?
Eu5 O23 Eu5 113.7(7) 8_755 2_655 ?
Eu5 O23 H23 113.1 8_755 . ?
Eu5 O23 H23 113.1 2_655 . ?
Eu6 O23 Eu5 101.3(5) . 2_655 ?
Eu6 O23 Eu5 101.3(5) . 8_755 ?
Eu6 O23 H23 113.1 . . ?
Eu1 O20 Eu1 112.8(7) 7 . ?
Eu1 O20 H20 113.2 . . ?
Eu1 O20 H20 113.2 7 . ?
Eu4 O20 Eu1 101.6(5) . 7 ?
Eu4 O20 Eu1 101.6(5) . . ?
Eu4 O20 H20 113.2 . . ?
Eu4 O21 Eu5 101.2(4) . . ?
Eu4 O21 Eu5 101.2(4) . 7 ?
Eu4 O21 H21 113.5 . . ?
Eu5 O21 Eu5 112.8(6) 7 . ?
Eu5 O21 H21 113.5 7 . ?
Eu5 O21 H21 113.5 . . ?
Eu1 O18 Eu1 113.5(7) . 7 ?
Eu1 O18 H18 112.8 . . ?
Eu1 O18 H18 112.8 7 . ?
Eu3 O18 Eu1 102.0(4) . . ?
Eu3 O18 Eu1 102.0(4) . 7 ?
Eu3 O18 H18 112.8 . . ?
Eu1 O2W H2WA 110.7 . . ?
Eu1 O2W H2WB 110.7 . . ?
H2WA O2W H2WB 103.0 . . ?
C10 O9 Eu1 123(2) . . ?
C10 O9 C10A 92(2) . . ?
C10A O9 Eu1 119.3(14) . . ?
Eu5 O3W H3WA 108.3 . . ?
Eu5 O3W H3WB 110.6 . . ?
H3WA O3W H3WB 103.5 . . ?
Eu4 O10 Eu1 83.7(5) . . ?
Eu4 O10 Eu5 84.5(5) . . ?
Eu5 O10 Eu1 165.9(5) . . ?
C12 O10 Eu1 96.0(16) . . ?
C12 O10 Eu4 149.1(16) . . ?
C12 O10 Eu5 98.1(16) . . ?
C3A O2 Eu5 117.5(18) . . ?
C3 O2 Eu5 121(2) . . ?
C3 O2 C3A 96(3) . . ?
C15 O15 Eu2 118(2) . . ?
C15 O15 Eu2 118(2) 8_755 . ?
C15 O15 C15 88(4) 8_755 . ?
Eu5 O5 Eu5 167.0(8) 8_755 . ?
Eu6 O5 Eu5 85.2(4) . 8_755 ?
Eu6 O5 Eu5 85.2(4) . . ?
C6 O5 Eu5 96.3(4) . 8_755 ?
C6 O5 Eu5 96.3(4) . . ?
C6 O5 Eu6 151(2) . . ?
Eu1 O11 Eu2 167.2(7) . . ?
Eu3 O11 Eu1 84.7(5) . . ?
Eu3 O11 Eu2 84.5(5) . . ?
C18 O11 Eu1 96.3(17) . . ?
C18 O11 Eu2 96.5(17) . . ?
C18 O11 Eu3 147.5(19) . . ?
C9A O8 Eu1 122.2(19) . . ?
C9 O8 Eu1 116(2) . . ?
C9 O8 C9A 103(2) . . ?
C4 O3 Eu5 121.4(19) . . ?
C4A O3 Eu5 121(2) . . ?
C4A O3 C4 99(3) . . ?
Eu2 O16 Eu2 114.3(6) 2_655 . ?
Eu2 O16 Eu3 101.9(4) 2_655 . ?
Eu2 O16 Eu3 101.9(4) . . ?
Eu2 O16 H16 112.6 . . ?
Eu2 O16 H16 112.6 2_655 . ?
Eu3 O16 H16 112.6 . . ?
C12 O4A N1A 100(2) . . ?
C5A O4A N1A 48(2) . . ?
C5A O4A C12 65.6(17) . . ?
C16 O14 Eu2 122(2) . . ?
C2 O1 H1 109.5 . . ?
C2A O1A H1A 109.5 . . ?
C8A O7A H7A 109.5 . . ?
C14 O13 H13 109.5 . . ?
C8 O7 H7 109.5 . . ?
Eu5 N1A H1AA 115.3 . . ?
O4A N1A Eu5 112.2(19) . . ?
O4A N1A H1AA 93.1 . . ?
C5A N1A Eu5 56(2) . . ?
C5A N1A O4A 56(3) . . ?
C5A N1A H1AA 115.3 . . ?
C5A N1A C1A 129(4) . . ?
C1A N1A Eu5 104(3) . . ?
C1A N1A O4A 117(3) . . ?
C1A N1A H1AA 115.3 . . ?
Eu1 N2A H2A 110.4 . . ?
C11A N2A Eu1 57(3) . . ?
C11A N2A H2A 117.8 . . ?
C11A N2A C7A 124(4) . . ?
C7A N2A Eu1 103(2) . . ?
C7A N2A H2A 117.8 . . ?
Eu2 N3 H3 112.2 . . ?
C13 N3 Eu2 106(3) . . ?
C13 N3 H3 112.2 . . ?
C17 N3 Eu2 56(4) . . ?
C17 N3 H3 112.2 . . ?
C17 N3 C13 136(5) . . ?
Eu1 N2 H2 115.2 . . ?
C7 N2 Eu1 108(3) . . ?
C7 N2 H2 115.2 . . ?
C11 N2 Eu1 56(2) . . ?
C11 N2 H2 115.2 . . ?
C11 N2 C7 129(5) . . ?
Eu5 N1 H1B 114.2 . . ?
C5 N1 Eu5 57(3) . . ?
C5 N1 H1B 114.2 . . ?
C5 N1 C1 131(4) . . ?
C1 N1 Eu5 108(3) . . ?
C1 N1 H1B 114.2 . . ?
O15 C15 H15A 108.3 . . ?
O15 C15 H15B 108.3 . . ?
H15A C15 H15B 107.4 . . ?
C13 C15 O15 116(4) . . ?
C13 C15 H15A 108.3 . . ?
C13 C15 H15B 108.3 . . ?
O10 C12 O4A 152(3) . . ?
O10 C12 O6 152(3) . . ?
O10 C12 C11 97(2) . . ?
O10 C12 C5A 97(2) . . ?
O4A C12 C11 111(3) . . ?
O4A C12 C5A 55(2) . . ?
C5A C12 C11 164(3) . . ?
O11 C18 O12 149(3) . . ?
O11 C18 O6A 149(3) . . ?
O11 C18 C11A 97(3) . . ?
O11 C18 C17 98(3) . . ?
O12 C18 C11A 114(3) . . ?
O6A C18 C17 113(3) . . ?
N3 C13 C15 106(4) . . ?
C14 C13 N3 114(4) . . ?
C14 C13 C15 117(4) . . ?
C14 C13 C16 105(4) . . ?
C16 C13 C15 106(4) . . ?
O7A C8A H8AA 110.9 . . ?
O7A C8A H8AB 110.9 . . ?
O7A C8A C7A 104.1(19) . . ?
H8AA C8A H8AB 109.0 . . ?
C7A C8A H8AA 110.9 . . ?
C7A C8A H8AB 110.9 . . ?
O4 C6 O4 58(3) . 8_755 ?
O5 C6 O4 150.9(16) . 8_755 ?
O5 C6 O4 150.9(16) . . ?
O5 C6 C5 95(2) . . ?
O5 C6 C5 95(2) . 8_755 ?
C5 C6 C5 168(5) . 8_755 ?
N2A C11A C18 111(4) . . ?
N2A C11A H11A 113.7 . . ?
N2A C11A H11B 102.4 . . ?
C18 C11A H11A 111.7 . . ?
C18 C11A H11B 108.9 . . ?
H11A C11A H11B 108.3 . . ?
N2 C7 C9 101(4) . . ?
N2 C7 C10 100(4) . . ?
C8 C7 N2 117(4) . . ?
C8 C7 C9 112(4) . . ?
C8 C7 C10 111(4) . . ?
C10 C7 C9 114(4) . . ?
N1 C5 C6 114(4) . . ?
N1 C5 H5A 108.8 . . ?
N1 C5 H5B 108.8 . . ?
C6 C5 H5A 108.8 . . ?
C6 C5 H5B 108.8 . . ?
H5A C5 H5B 107.7 . . ?
O1A C2A H2AA 109.2 . . ?
O1A C2A H2AB 109.2 . . ?
H2AA C2A H2AB 107.9 . . ?
C1A C2A O1A 112(4) . . ?
C1A C2A H2AA 109.2 . . ?
C1A C2A H2AB 109.2 . . ?
N2 C11 C12 110(3) . . ?
N2 C11 H11C 109.7 . . ?
N2 C11 H11D 109.7 . . ?
C12 C11 H11C 109.7 . . ?
C12 C11 H11D 109.7 . . ?
H11C C11 H11D 108.2 . . ?
O8 C9A H9AA 109.7 . . ?
O8 C9A H9AB 109.7 . . ?
O8 C9A C7A 110(3) . . ?
H9AA C9A H9AB 108.2 . . ?
C7A C9A H9AA 109.7 . . ?
C7A C9A H9AB 109.7 . . ?
N3 C17 C18 120(5) . . ?
N3 C17 H17A 108.6 . . ?
N3 C17 H17B 106.5 . . ?
C18 C17 H17A 107.1 . . ?
C18 C17 H17B 106.8 . . ?
H17A C17 H17B 106.9 . . ?
O4A C5A C12 59(2) . . ?
O4A C5A H5AA 166.5 . . ?
O4A C5A H5AB 82.7 . . ?
N1A C5A O4A 76(3) . . ?
N1A C5A C12 116(4) . . ?
N1A C5A H5AA 108.3 . . ?
N1A C5A H5AB 108.3 . . ?
C12 C5A H5AA 108.3 . . ?
C12 C5A H5AB 108.3 . . ?
H5AA C5A H5AB 107.4 . . ?
O8 C9 C7 119(4) . . ?
O8 C9 H9A 107.5 . . ?
O8 C9 H9B 107.5 . . ?
C7 C9 H9A 107.5 . . ?
C7 C9 H9B 107.5 . . ?
H9A C9 H9B 107.0 . . ?
O2 C3A H3AA 109.6 . . ?
O2 C3A H3AB 109.6 . . ?
H3AA C3A H3AB 108.2 . . ?
C1A C3A O2 110(4) . . ?
C1A C3A H3AA 109.6 . . ?
C1A C3A H3AB 109.6 . . ?
O7 C8 C7 109(4) . . ?
O7 C8 H8A 109.8 . . ?
O7 C8 H8B 109.8 . . ?
C7 C8 H8A 109.8 . . ?
C7 C8 H8B 109.8 . . ?
H8A C8 H8B 108.2 . . ?
C8A C7A N2A 114(5) . . ?
C8A C7A C9A 110(3) . . ?
C9A C7A N2A 107(4) . . ?
C10A C7A N2A 103(3) . . ?
C10A C7A C8A 105(3) . . ?
C10A C7A C9A 118(4) . . ?
O2 C3 H3A 109.4 . . ?
O2 C3 H3B 109.4 . . ?
H3A C3 H3B 108.0 . . ?
C1 C3 O2 111(3) . . ?
C1 C3 H3A 109.4 . . ?
C1 C3 H3B 109.4 . . ?
O13 C14 H14A 105.3 . . ?
O13 C14 H14B 105.3 . . ?
C13 C14 O13 128(5) . . ?
C13 C14 H14A 105.3 . . ?
C13 C14 H14B 105.3 . . ?
H14A C14 H14B 106.0 . . ?
O1 C2 H2B 108.0 . . ?
O1 C2 H2C 108.0 . . ?
O1 C2 C1 117(4) . . ?
H2B C2 H2C 107.2 . . ?
C1 C2 H2B 108.0 . . ?
C1 C2 H2C 108.0 . . ?
O14 C16 C13 115(3) . . ?
O14 C16 H16A 108.6 . . ?
O14 C16 H16B 108.6 . . ?
C13 C16 H16A 108.6 . . ?
C13 C16 H16B 108.6 . . ?
H16A C16 H16B 107.6 . . ?
N1 C1 C3 101(4) . . ?
N1 C1 C4 106(4) . . ?
C2 C1 N1 115(4) . . ?
C2 C1 C3 106(4) . . ?
C2 C1 C4 113(4) . . ?
C4 C1 C3 116(4) . . ?
O9 C10 C7 113(4) . . ?
O9 C10 H10A 108.9 . . ?
O9 C10 H10B 108.9 . . ?
C7 C10 H10A 108.9 . . ?
C7 C10 H10B 108.9 . . ?
H10A C10 H10B 107.7 . . ?
O3 C4 H4A 109.5 . . ?
O3 C4 H4B 109.5 . . ?
C1 C4 O3 111(3) . . ?
C1 C4 H4A 109.5 . . ?
C1 C4 H4B 109.5 . . ?
H4A C4 H4B 108.0 . . ?
O3 C4A H4AA 108.8 . . ?
O3 C4A H4AB 108.8 . . ?
O3 C4A C1A 114(4) . . ?
H4AA C4A H4AB 107.6 . . ?
C1A C4A H4AA 108.8 . . ?
C1A C4A H4AB 108.8 . . ?
O9 C10A H10C 109.1 . . ?
O9 C10A H10D 109.1 . . ?
C7A C10A O9 112.5(19) . . ?
C7A C10A H10C 109.1 . . ?
C7A C10A H10D 109.1 . . ?
H10C C10A H10D 107.8 . . ?
N1A C1A C2A 110(4) . . ?
N1A C1A C3A 105(4) . . ?
N1A C1A C4A 111(4) . . ?
C2A C1A C3A 105(4) . . ?
C2A C1A C4A 113(4) . . ?
C3A C1A C4A 112(4) . . ?
O26 O25 N4 64(6) . . ?
O26 O25 O24 114(7) . . ?
N4 O25 O24 52(4) . . ?
O25 O26 N4 59(5) . . ?
O24A O26 O25 113(10) . . ?
O24A O26 N4 56(5) . . ?
O25 N4 O25 132(6) . 8_755 ?
O25 N4 O26 143(6) . 8_755 ?
O25 N4 O26 58(5) 8_755 8_755 ?
O25 N4 O26 58(5) . . ?
O25 N4 O26 143(6) 8_755 . ?
O26 N4 O26 94(9) . 8_755 ?
O24A N4 O25 104(3) . 8_755 ?
O24A N4 O25 104(3) . . ?
O24A N4 O26 48(5) . . ?
O24A N4 O26 48(5) . 8_755 ?
O24A N4 O24 156(7) . . ?
O24 N4 O25 69(3) . 8_755 ?
O24 N4 O25 69(3) . . ?
O24 N4 O26 126(6) . 8_755 ?
O24 N4 O26 126(6) . . ?
O26 O24A O26 150(10) 8_755 . ?
O26 O24A N4 76(6) . . ?
O26 O24A N4 76(6) 8_755 . ?
O25 O24 O25 113(8) . 8_755 ?
N4 O24 O25 59(4) . . ?
N4 O24 O25 59(4) . 8_755 ?

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
Eu1 O9 C10 C7 15(5) . . . . ?
Eu1 O9 C10A C7A -16(5) . . . . ?
Eu1 O10 C12 O4A -179(5) . . . . ?
Eu1 O10 C12 O6 8(5) . . . . ?
Eu1 O10 C12 C11 -6(2) . . . . ?
Eu1 O10 C12 C5A -177(2) . . . . ?
Eu1 O11 C18 O12 175(6) . . . . ?
Eu1 O11 C18 O6A -12(6) . . . . ?
Eu1 O11 C18 C11A 5(3) . . . . ?
Eu1 O11 C18 C17 180(3) . . . . ?
Eu1 O8 C9A C7A 23(5) . . . . ?
Eu1 O8 C9 C7 -27(5) . . . . ?
Eu1 N2A C11A C18 131(4) . . . . ?
Eu1 N2A C7A C8A -177(2) . . . . ?
Eu1 N2A C7A C9A 61(3) . . . . ?
Eu1 N2A C7A C10A -64(3) . . . . ?
Eu1 N2 C7 C9 -56(4) . . . . ?
Eu1 N2 C7 C8 -178(3) . . . . ?
Eu1 N2 C7 C10 61(4) . . . . ?
Eu1 N2 C11 C12 -132(4) . . . . ?
Eu2 O15 C15 C13 7(5) . . . . ?
Eu2 O11 C18 O12 -5(6) . . . . ?
Eu2 O11 C18 O6A 168(6) . . . . ?
Eu2 O11 C18 C11A -175(3) . . . . ?
Eu2 O11 C18 C17 0(3) . . . . ?
Eu2 O14 C16 C13 -10(6) . . . . ?
Eu2 N3 C13 C15 57(4) . . . . ?
Eu2 N3 C13 C14 -172(3) . . . . ?
Eu2 N3 C17 C18 -140(6) . . . . ?
Eu3 O11 C18 O12 -95(6) . . . . ?
Eu3 O11 C18 O6A 78(7) . . . . ?
Eu3 O11 C18 C11A 95(4) . . . . ?
Eu3 O11 C18 C17 -90(4) . . . . ?
Eu4 O10 C12 O4A 93(6) . . . . ?
Eu4 O10 C12 O6 -80(6) . . . . ?
Eu4 O10 C12 C11 -94(4) . . . . ?
Eu4 O10 C12 C5A 95(4) . . . . ?
Eu5 O10 C12 O4A 0(6) . . . . ?
Eu5 O10 C12 O6 -173(5) . . . . ?
Eu5 O10 C12 C11 174(2) . . . . ?
Eu5 O10 C12 C5A 2(2) . . . . ?
Eu5 O2 C3A C1A -16(4) . . . . ?
Eu5 O2 C3 C1 18(5) . . . . ?
Eu5 O5 C6 O4 -7(8) 8_755 . . 8_755 ?
Eu5 O5 C6 O4 176(7) . . . 8_755 ?
Eu5 O5 C6 O4 -176(7) 8_755 . . . ?
Eu5 O5 C6 O4 7(8) . . . . ?
Eu5 O5 C6 C5 -2(3) . . . . ?
Eu5 O5 C6 C5 175(3) 8_755 . . . ?
Eu5 O5 C6 C5 -175(3) . . . 8_755 ?
Eu5 O5 C6 C5 2(3) 8_755 . . 8_755 ?
Eu5 O3 C4 C1 -21(5) . . . . ?
Eu5 O3 C4A C1A 15(5) . . . . ?
Eu5 N1A C5A O4A -180(3) . . . . ?
Eu5 N1A C5A C12 136(4) . . . . ?
Eu5 N1A C1A C2A -179(3) . . . . ?
Eu5 N1A C1A C3A -67(4) . . . . ?
Eu5 N1A C1A C4A 55(4) . . . . ?
Eu5 N1 C5 C6 -136(5) . . . . ?
Eu5 N1 C1 C3 63(3) . . . . ?
Eu5 N1 C1 C2 176(3) . . . . ?
Eu5 N1 C1 C4 -58(4) . . . . ?
Eu6 O5 C6 O4 84(7) . . . 8_755 ?
Eu6 O5 C6 O4 -84(7) . . . . ?
Eu6 O5 C6 C5 94(3) . . . 8_755 ?
Eu6 O5 C6 C5 -94(3) . . . . ?
O4 O4 C6 O5 173(8) 8_755 . . . ?
O10 C12 C11 N2 123(4) . . . . ?
O10 C12 C5A O4A -179(3) . . . . ?
O10 C12 C5A N1A -126(4) . . . . ?
O2 C3A C1A N1A 57(5) . . . . ?
O2 C3A C1A C2A 173(3) . . . . ?
O2 C3A C1A C4A -64(5) . . . . ?
O2 C3 C1 N1 -53(4) . . . . ?
O2 C3 C1 C2 -173(3) . . . . ?
O2 C3 C1 C4 61(5) . . . . ?
O15 C15 C13 N3 -46(5) . . . . ?
O15 C15 C13 C14 -175(4) . . . . ?
O15 C15 C13 C16 69(5) . . . . ?
O5 C6 C5 N1 121(4) . . . . ?
O11 C18 C11A N2A -122(4) . . . . ?
O11 C18 C17 N3 131(5) . . . . ?
O8 C9A C7A N2A -58(4) . . . . ?
O8 C9A C7A C8A 178(5) . . . . ?
O8 C9A C7A C10A 58(5) . . . . ?
O3 C4A C1A N1A -51(6) . . . . ?
O3 C4A C1A C2A -175(4) . . . . ?
O3 C4A C1A C3A 67(5) . . . . ?
O4A N1A C5A C12 -45(3) . . . . ?
O4A N1A C1A C2A 56(5) . . . . ?
O4A N1A C1A C3A 168(4) . . . . ?
O4A N1A C1A C4A -70(5) . . . . ?
O4A C12 C11 N2 -60(5) . . . . ?
O4A C12 C5A N1A 53(4) . . . . ?
O12 C18 C11A N2A 64(5) . . . . ?
O1 C2 C1 N1 -47(6) . . . . ?
O1 C2 C1 C3 63(6) . . . . ?
O1 C2 C1 C4 -169(5) . . . . ?
O6A C18 C17 N3 -42(7) . . . . ?
O1A C2A C1A N1A -174(4) . . . . ?
O1A C2A C1A C3A 73(5) . . . . ?
O1A C2A C1A C4A -49(6) . . . . ?
O7A C8A C7A N2A -86(6) . . . . ?
O7A C8A C7A C9A 34(8) . . . . ?
O7A C8A C7A C10A 162(5) . . . . ?
N1A O4A C12 O10 -31(6) . . . . ?
N1A O4A C12 C11 156(3) . . . . ?
N1A O4A C12 C5A -34(3) . . . . ?
N1A O4A C5A C12 132(4) . . . . ?
N2A C7A C10A O9 56(4) . . . . ?
N3 C13 C14 O13 62(7) . . . . ?
N2 C7 C9 O8 58(5) . . . . ?
N2 C7 C8 O7 -62(6) . . . . ?
N2 C7 C10 O9 -51(4) . . . . ?
N1 C1 C4 O3 53(5) . . . . ?
C15 O15 C15 C13 -114(4) 8_755 . . . ?
C15 C13 C14 O13 -173(5) . . . . ?
C15 C13 C16 O14 -67(5) . . . . ?
C12 O4A N1A Eu5 43(3) . . . . ?
C12 O4A N1A C5A 43(3) . . . . ?
C12 O4A N1A C1A 164(4) . . . . ?
C12 O4A C5A N1A -132(4) . . . . ?
C13 N3 C17 C18 143(6) . . . . ?
C8A C7A C10A O9 175(5) . . . . ?
C11A N2A C7A C8A 124(5) . . . . ?
C11A N2A C7A C9A 2(6) . . . . ?
C11A N2A C7A C10A -123(5) . . . . ?
C7 N2 C11 C12 141(5) . . . . ?
C5 N1 C1 C3 125(5) . . . . ?
C5 N1 C1 C2 -122(5) . . . . ?
C5 N1 C1 C4 4(7) . . . . ?
C5 C6 C5 N1 -98(23) 8_755 . . . ?
C11 N2 C7 C9 4(6) . . . . ?
C11 N2 C7 C8 -118(5) . . . . ?
C11 N2 C7 C10 121(5) . . . . ?
C11 C12 C5A O4A 35(11) . . . . ?
C11 C12 C5A N1A 88(12) . . . . ?
C9A O8 C9 C7 109(4) . . . . ?
C9A C7A C10A O9 -62(5) . . . . ?
C17 N3 C13 C15 114(8) . . . . ?
C17 N3 C13 C14 -116(8) . . . . ?
C5A O4A N1A Eu5 0(3) . . . . ?
C5A O4A N1A C1A 121(5) . . . . ?
C5A O4A C12 O10 3(6) . . . . ?
C5A O4A C12 C11 -170(4) . . . . ?
C5A N1A C1A C2A 123(5) . . . . ?
C5A N1A C1A C3A -125(5) . . . . ?
C5A N1A C1A C4A -3(7) . . . . ?
C5A C12 C11 N2 -90(12) . . . . ?
C9 O8 C9A C7A -109(4) . . . . ?
C9 C7 C8 O7 -177(4) . . . . ?
C9 C7 C10 O9 56(5) . . . . ?
C3A O2 C3 C1 -110(4) . . . . ?
C8 C7 C9 O8 -177(4) . . . . ?
C8 C7 C10 O9 -176(3) . . . . ?
C7A N2A C11A C18 -146(4) . . . . ?
C3 O2 C3A C1A 115(4) . . . . ?
C3 C1 C4 O3 -58(5) . . . . ?
C14 C13 C16 O14 169(4) . . . . ?
C2 C1 C4 O3 180(4) . . . . ?
C16 C13 C14 O13 -57(7) . . . . ?
C1 N1 C5 C6 137(5) . . . . ?
C10 O9 C10A C7A 115(4) . . . . ?
C10 C7 C9 O8 -49(6) . . . . ?
C10 C7 C8 O7 53(5) . . . . ?
C4 O3 C4A C1A -119(4) . . . . ?
C4A O3 C4 C1 113(4) . . . . ?
C10A O9 C10 C7 -113(4) . . . . ?
C1A N1A C5A O4A -99(5) . . . . ?
C1A N1A C5A C12 -144(5) . . . . ?
O25 O26 N4 O25 118(11) . . . 8_755 ?
O25 O26 N4 O26 155(5) . . . 8_755 ?
O25 O26 N4 O24A 164(9) . . . . ?
O25 O26 N4 O24 14(9) . . . . ?
O25 O26 O24A O26 10(34) . . . 8_755 ?
O25 O26 O24A N4 -15(8) . . . . ?
O25 N4 O24A O26 -14(8) 8_755 . . 8_755 ?
O25 N4 O24A O26 154(8) 8_755 . . . ?
O25 N4 O24A O26 14(8) . . . . ?
O25 N4 O24A O26 -154(8) . . . 8_755 ?
O25 N4 O24 O25 154(7) . . . 8_755 ?
O25 N4 O24 O25 -154(7) 8_755 . . . ?
O26 O25 N4 O25 -135(9) . . . 8_755 ?
O26 O25 N4 O26 -45(10) . . . 8_755 ?
O26 O25 N4 O24A -12(7) . . . . ?
O26 O25 N4 O24 -168(8) . . . . ?
O26 O25 O24 O25 -12(12) . . . 8_755 ?
O26 O25 O24 N4 12(8) . . . . ?
O26 N4 O24A O26 -167(14) . . . 8_755 ?
O26 N4 O24A O26 167(14) 8_755 . . . ?
O26 N4 O24 O25 -142(8) 8_755 . . . ?
O26 N4 O24 O25 13(8) 8_755 . . 8_755 ?
O26 N4 O24 O25 -13(8) . . . . ?
O26 N4 O24 O25 142(8) . . . 8_755 ?
N4 O25 O26 O24A 14(8) . . . . ?
N4 O25 O24 O25 -24(6) . . . 8_755 ?
N4 O26 O24A O26 25(27) . . . 8_755 ?
O24A O26 N4 O25 -164(9) . . . . ?
O24A O26 N4 O25 -46(12) . . . 8_755 ?
O24A O26 N4 O26 -9(10) . . . 8_755 ?
O24A O26 N4 O24 -150(9) . . . . ?
O24A N4 O24 O25 77(3) . . . 8_755 ?
O24A N4 O24 O25 -77(3) . . . . ?
O24 O25 O26 N4 -11(7) . . . . ?
O24 O25 O26 O24A 4(14) . . . . ?
O24 O25 N4 O25 33(8) . . . 8_755 ?
O24 O25 N4 O26 122(12) . . . 8_755 ?
O24 O25 N4 O26 168(8) . . . . ?
O24 O25 N4 O24A 156(7) . . . . ?
O24 N4 O24A O26 -84(7) . . . 8_755 ?
O24 N4 O24A O26 84(7) . . . . ?

_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 19.502
_oxdiff_exptl_absorpt_empirical_full_min 0.442
####################################################################### 
# 
# 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_4
_database_code_depnum_ccdc_archive 'CCDC 2141694'
loop_
_audit_author_name
_audit_author_address
'Guo-Ming Wang'
;Qingdao University
China
;
_audit_update_record             
;
2022-01-13 deposited with the CCDC.	2022-10-05 downloaded from the CCDC.
;
_audit_creation_date             2022-01-12
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C60 H144 Cl N10 O80 Sm15, 11(Cl)'
_chemical_formula_sum            'C60 H144 Cl12 N10 O80 Sm15'
_chemical_formula_weight         4966.49
_chemical_melting_point          ?
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sm Sm -0.1638 3.4418 '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      orthorhombic
_space_group_IT_number           51
_space_group_name_H-M_alt        'P m m a'
_space_group_name_Hall           '-P 2a 2a'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z'
'-x, y, -z'
'x+1/2, -y, -z'
'-x, -y, -z'
'x-1/2, y, -z'
'x, -y, z'
'-x-1/2, y, z'

_cell_length_a                   30.0081(9)
_cell_length_b                   12.3183(3)
_cell_length_c                   21.6051(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     7986.3(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    14292
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30.3080
_cell_measurement_theta_min      2.2280
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    5.703
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.27270
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.110a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.065
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4696
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0617
_diffrn_reflns_av_unetI/netI     0.0411
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            33272
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         2.004
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_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    -23.00  29.00   0.50    1.09    --    3.51  95.00 108.00  104
  2  ω     -8.00  37.00   0.50    1.09    --    3.51 -99.00-150.00   90
  3  ω    -17.00  12.00   0.50    1.09    --   -6.87 -99.00 -30.00   58
  4  ω    -24.00   2.00   0.50    1.09    --   -6.87 -95.00  -0.00   52
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0134687000
_diffrn_orient_matrix_UB_12      0.0317390000
_diffrn_orient_matrix_UB_13      0.0200462000
_diffrn_orient_matrix_UB_21      -0.0154690000
_diffrn_orient_matrix_UB_22      0.0433183000
_diffrn_orient_matrix_UB_23      -0.0022576000
_diffrn_orient_matrix_UB_31      -0.0117600000
_diffrn_orient_matrix_UB_32      -0.0207614000
_diffrn_orient_matrix_UB_33      0.0258960000
_diffrn_oxdiff_digest_frames     
;
0105946b85ed2ab788c0885abac3a3e04700028ee52
;
_diffrn_oxdiff_digest_hkl        
;
01d63481bec038b54e25336fbe3a903ce4d6dd
;
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5789
_reflns_number_total             7533
_reflns_odcompleteness_completeness 99.53
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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 1.171.41.110a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_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    ?
_refine_diff_density_max         3.801
_refine_diff_density_min         -2.538
_refine_diff_density_rms         0.366
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.134
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     654
_refine_ls_number_reflns         7533
_refine_ls_number_restraints     324
_refine_ls_R_factor_all          0.1124
_refine_ls_R_factor_gt           0.0863
_refine_ls_restrained_S_all      1.113
_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)+(0.1122P)²+416.7511P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2270
_refine_ls_wR_factor_ref         0.2631
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups, H6 of O6, H8 of O8, H4 of O4, H5 of O5, H1 of O1, H3 of
  O3, H7 of O7, H2 of O2, All N(H) groups
 At 1.5 times of:
  All O(H,H) groups, H9 of O9, H11 of O11, H10 of O10, H21A of O21A, H21 of
  O21, H16A of O16A, H16 of O16
2. Restrained distances
 C14A-C16A
 1.5 with sigma of 0.02
 C18-C13A
 1.52 with sigma of 0.02
 C13A-N3A
 1.2 with sigma of 0.02
 C14A-C15A
 1.5 with sigma of 0.02
 O16A-C9A
 1.4 with sigma of 0.02
 C8A-O16A
 2.4 with sigma of 0.02
 O11-C4
 1.45 with sigma of 0.02
 C17-C14
 1.48 with sigma of 0.02
 C16-C17
 2.2 with sigma of 0.02
 C10A-C10
 2.2 with sigma of 0.02
 O16-C8
 2.2 with sigma of 0.02
 C10-C8 = C8-C9
 1.5 with sigma of 0.02
 C9-O16
 1.45 with sigma of 0.02
 C2-C3
 1.5 with sigma of 0.02
 C2-O9
 1.5 with sigma of 0.02
 O9-H9
 0.85 with sigma of 0.01
 O10-C1
 1.45 with sigma of 0.02
 O10-H10
 0.85 with sigma of 0.01
 C17A-O21A
 1.45 with sigma of 0.02
 C2-H9
 1.948792 with sigma of 0.02
 Sm1-H9
 3.088505 with sigma of 0.02
 C1-H10
 1.90845 with sigma of 0.02
 Sm1-H10
 3.128948 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
N3A \\sim C13A \\sim C18 \\sim O19A \\sim O20A: within 1.7A with sigma of 0.001
and sigma for terminal atoms of 0.002
N3A \\sim C15A \\sim C16A \\sim C17A \\sim O21A \\sim O22 \\sim O23: within
1.7A with sigma of 0.01 and sigma for terminal atoms of 0.02
Cl8: within 1.7A with sigma of 0.001 and sigma for terminal atoms of 0.002
N2A \\sim C8A \\sim C9A \\sim C10A \\sim C11A \\sim O17 \\sim O18: within 1.7A
with sigma of 0.01 and sigma for terminal atoms of 0.02
N2A \\sim C8A \\sim C9A \\sim C10A \\sim C11A \\sim O16A \\sim O17: within 1.7A
with sigma of 0.01 and sigma for terminal atoms of 0.02
N2 \\sim C8 \\sim C9 \\sim C10 \\sim C11 \\sim O16 \\sim O17 \\sim O18: within
1.7A with sigma of 0.001 and sigma for terminal atoms of 0.002
N1 \\sim C1 \\sim C2 \\sim C3 \\sim C4 \\sim O9 \\sim O10: within 1.7A with
sigma of 0.001 and sigma for terminal atoms of 0.002
N1 \\sim C1 \\sim C2 \\sim C3 \\sim C4 \\sim O9 \\sim O10 \\sim O11: within
1.7A with sigma of 0.001 and sigma for terminal atoms of 0.002
N3 \\sim C12 \\sim C13 \\sim O14A \\sim C14 \\sim O15A \\sim C15 \\sim C16
\\sim C17 \\sim O21 \\sim O22 \\sim O23: within 1.7A with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(N3A) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O19) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O13) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C7A) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C5) \\sim Ueq, Uanis(C7) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
4. Others
 Fixed Sof: H1WA(0.5) H1WB(0.5) N1(0.5) H1A(0.5) C1(0.5) H1B(0.5) H1C(0.5)
 N2A(0.5) H2AA(0.5) N2(0.5) H2A(0.5) C2(0.5) H2B(0.5) H2C(0.5) N3(0.5) H3A(0.5)
 N3A(0.5) H3AA(0.5) C3(0.5) C4(0.5) H4A(0.5) H4B(0.5) C5(0.5) H5A(0.5) H5B(0.5)
 C7(0.5) H7A(0.5) H7B(0.5) C7A(0.5) H7AB(0.5) H7AA(0.5) C8A(0.5) C8(0.5)
 O9(0.5) H9(0.5) C9(0.5) H9A(0.5) H9B(0.5) C9A(0.5) H9AA(0.5) H9AB(0.5)
 O10(0.5) H10(0.5) C10A(0.5) H10C(0.5) H10D(0.5) C10(0.5) H10A(0.5) H10B(0.5)
 O11(0.5) H11(0.5) C11(0.5) H11A(0.5) H11B(0.5) C11A(0.5) H11C(0.5) H11D(0.5)
 O12(0.5) O13(0.5) C13A(0.5) H13C(0.5) H13D(0.5) C13(0.5) H13A(0.5) H13B(0.5)
 O14(0.5) O14A(0.5) C14A(0.5) C14(0.5) O15(0.5) O15A(0.5) C15A(0.5) H15C(0.5)
 H15D(0.5) C15(0.5) H15A(0.5) H15B(0.5) O16A(0.5) H16A(0.5) O16(0.5) H16(0.5)
 C16(0.5) H16B(0.5) H16C(0.5) C16A(0.5) H16D(0.5) H16E(0.5) C17(0.5) H17A(0.5)
 H17B(0.5) C17A(0.5) H17C(0.5) H17D(0.5) O19(0.5) O19A(0.5) O20A(0.5) O20(0.5)
 O21(0.5) H21(0.5) O21A(0.5) H21A(0.5) Cl8(0.25)
5.a Riding coordinates:
 C5(H5A,H5B), C13A(H13C,H13D)
5.b Rotating group:
 O1W(H1WA,H1WB), O2W(H2WA,H2WB), O3W(H3WA,H3WB)
5.c Ternary CH refined with riding coordinates:
 O1(H1), O2(H2), N2A(H2AA), N2(H2A), O3(H3), N3(H3A), N3A(H3AA), O4(H4),
 O5(H5), O6(H6), O7(H7), O8(H8)
5.d Secondary CH2 refined with riding coordinates:
 C1(H1B,H1C), C2(H2B,H2C), C4(H4A,H4B), C7(H7A,H7B), C7A(H7AB,H7AA), C9(H9A,
 H9B), C9A(H9AA,H9AB), C10A(H10C,H10D), C10(H10A,H10B), C11(H11A,H11B),
 C11A(H11C,H11D), C13(H13A,H13B), C15A(H15C,H15D), C15(H15A,H15B), C16(H16B,
 H16C), C16A(H16D,H16E), C17(H17A,H17B), C17A(H17C,H17D)
5.e Aromatic/amide H refined with riding coordinates:
 N1(H1A)
5.f Tetrahedral OH refined with riding coordinates:
 O16A(H16A), O16(H16), O21(H21), O21A(H21A)
5.g Idealised tetrahedral OH refined as rotating group:
 O11(H11)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_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
Sm1 Sm 0.2500 0.66487(11) 0.48426(6) 0.0438(4) Uani 1 2 d DS T P . .
Cl1 Cl 0.2500 0.5000 0.2484(8) 0.126(8) Uani 1 4 d S T P A .
O1 O 0.2940(7) 0.5000 0.4759(7) 0.043(5) Uani 1 2 d S T P A .
H1 H 0.3201 0.5000 0.5031 0.052 Uiso 1 2 calc RS T P . .
O1W O 0.2500 0.8359(18) 0.4215(11) 0.065(6) Uani 1 2 d S T P A .
H1WA H 0.2231 0.8496 0.4050 0.098 Uiso 0.5 1 d GR . . . .
H1WB H 0.2672 0.8296 0.3877 0.098 Uiso 0.5 1 d GR . . . .
N1 N 0.3256(19) 0.706(5) 0.549(2) 0.090(4) Uani 0.5 1 d . U . A 1
H1A H 0.3395 0.6448 0.5501 0.108 Uiso 0.5 1 calc R . . A 1
C1 C 0.286(2) 0.843(5) 0.600(2) 0.090(4) Uani 0.5 1 d D U . A -1
H1B H 0.2723 0.8633 0.6389 0.109 Uiso 0.5 1 calc R . . A -1
H1C H 0.3054 0.9023 0.5874 0.109 Uiso 0.5 1 calc R . . A -1
Sm2 Sm 0.31309(4) 0.5000 0.36931(5) 0.0289(3) Uani 1 2 d S T P A .
O2W O 0.3664(7) 0.8350(12) 0.3004(8) 0.068(5) Uani 1 1 d . . . . .
H2WA H 0.3515 0.8327 0.2632 0.102 Uiso 1 1 d GR . . . .
H2WB H 0.3844 0.8945 0.2951 0.102 Uiso 1 1 d GR . . . .
O2 O 0.3930(7) 0.5000 0.3753(9) 0.051(5) Uani 1 2 d S T P A .
H2 H 0.4039 0.5000 0.4180 0.061 Uiso 1 2 calc RS T P . .
N2A N 0.4779(13) 0.698(4) 0.239(2) 0.069(6) Uani 0.5 1 d . U . A 1
H2AA H 0.4845 0.6352 0.2120 0.083 Uiso 0.5 1 calc R . . A 1
N2 N 0.4326(15) 0.696(4) 0.443(2) 0.079(3) Uani 0.5 1 d . U . A -1
H2A H 0.4280 0.6338 0.4705 0.094 Uiso 0.5 1 calc R . . A -1
C2 C 0.2818(19) 0.660(5) 0.637(2) 0.090(4) Uani 0.5 1 d D U . A -1
H2B H 0.2983 0.6005 0.6549 0.108 Uiso 0.5 1 calc R . . A -1
H2C H 0.2661 0.6963 0.6700 0.108 Uiso 0.5 1 calc R . . A -1
Sm3 Sm 0.41077(3) 0.66469(8) 0.32073(5) 0.0445(3) Uani 1 1 d . . . . .
O3 O 0.4189(6) 0.5000 0.2605(8) 0.046(5) Uani 1 2 d S T P A .
H3 H 0.4457 0.5000 0.2345 0.055 Uiso 1 2 calc RS T P . .
O3W O 0.3207(6) 0.8340(13) 0.1098(8) 0.068(5) Uani 1 1 d . . . . .
H3WA H 0.2897 0.8398 0.1092 0.102 Uiso 1 1 d GR . . . .
H3WB H 0.3290 0.8962 0.0887 0.102 Uiso 1 1 d GR . . . .
N3 N 0.4394(13) 0.696(3) 0.0715(17) 0.057(4) Uani 0.5 1 d . U . A -1
H3A H 0.4572 0.6346 0.0871 0.069 Uiso 0.5 1 calc R . . A -1
N3A N 0.3128(12) 0.699(3) -0.0574(14) 0.054(3) Uani 0.5 1 d D U . A .
H3AA H 0.3054 0.6220 -0.0622 0.065 Uiso 0.5 1 calc R . . A .
C3 C 0.315(2) 0.739(5) 0.610(2) 0.090(4) Uani 0.5 1 d D U . . .
Sm4 Sm 0.35181(4) 0.5000 0.20181(5) 0.0290(3) Uani 1 2 d S T P A .
O4 O 0.3815(5) 0.5000 0.0991(7) 0.037(4) Uani 1 2 d S T P A .
H4 H 0.4142 0.5000 0.0983 0.045 Uiso 1 2 calc RS T P A .
C4 C 0.345(2) 0.752(4) 0.652(3) 0.091(4) Uani 0.5 1 d D U . A .
H4A H 0.3656 0.6915 0.6520 0.109 Uiso 0.5 1 calc R . . . .
H4B H 0.3313 0.7570 0.6926 0.109 Uiso 0.5 1 calc R . . . .
Sm5 Sm 0.34950(4) 0.66459(8) 0.05721(5) 0.0451(3) Uani 1 1 d . . . . .
O5 O 0.3105(6) 0.5000 0.0274(7) 0.041(4) Uani 1 2 d S T P A .
H5 H 0.3011 0.5000 -0.0161 0.050 Uiso 1 2 calc RS T P . .
C5 C 0.3218(9) 0.735(2) 0.4956(13) 0.018(6) Uani 0.5 1 d . U . A 1
H5A H 0.2967 0.6956 0.4783 0.022 Uiso 0.5 1 d R . . A 1
H5B H 0.3134 0.8105 0.4968 0.022 Uiso 0.5 1 d R . . A 1
Sm6 Sm 0.2500 0.5000 0.09765(8) 0.0284(4) Uani 1 4 d S T P A .
O6 O 0.3042(4) 0.6115(10) 0.1432(5) 0.036(3) Uani 1 1 d . . . . .
H6 H 0.2918 0.6727 0.1665 0.043 Uiso 1 1 calc R . . A .
C6 C 0.3571(8) 0.7268(16) 0.4526(10) 0.053(6) Uani 1 1 d . . . . .
O7 O 0.3383(4) 0.6106(10) 0.2882(5) 0.037(3) Uani 1 1 d . . . . .
H7 H 0.3184 0.6718 0.2793 0.044 Uiso 1 1 calc R . . A .
C7 C 0.3961(9) 0.738(2) 0.4178(13) 0.020(6) Uani 0.5 1 d . U . A -1
H7A H 0.3915 0.7032 0.3780 0.024 Uiso 0.5 1 calc R . . A -1
H7B H 0.4012 0.8144 0.4102 0.024 Uiso 0.5 1 calc R . . A -1
C7A C 0.4392(9) 0.738(2) 0.2311(12) 0.018(5) Uani 0.5 1 d . U . A 1
H7AB H 0.4402 0.8141 0.2420 0.022 Uiso 0.5 1 calc R . . A 1
H7AA H 0.4190 0.7023 0.2596 0.022 Uiso 0.5 1 calc R . . A 1
O8 O 0.2500 0.6127(16) 0.3777(7) 0.039(4) Uani 1 2 d S T P A .
H8 H 0.2500 0.6741 0.3488 0.046 Uiso 1 2 calc RS T P . .
C8A C 0.5189(16) 0.739(5) 0.278(2) 0.074(5) Uani 0.5 1 d D U . . .
C8 C 0.4806(17) 0.729(4) 0.432(2) 0.079(3) Uani 0.5 1 d D U . A -1
O9 O 0.248(2) 0.612(3) 0.5943(11) 0.090(4) Uani 0.5 1 d D U . A -1
H9 H 0.227(5) 0.585(19) 0.616(2) 0.135 Uiso 0.5 1 d DR . . B -1
C9 C 0.4955(18) 0.752(4) 0.497(3) 0.079(3) Uani 0.5 1 d D U . A -1
H9A H 0.4919 0.6899 0.5247 0.095 Uiso 0.5 1 calc R . . A -1
H9B H 0.5258 0.7792 0.4996 0.095 Uiso 0.5 1 calc R . . A -1
C9A C 0.5562(18) 0.764(4) 0.238(2) 0.080(7) Uani 0.5 1 d D U . A .
H9AA H 0.5493 0.8281 0.2142 0.097 Uiso 0.5 1 calc R . . . .
H9AB H 0.5821 0.7796 0.2633 0.097 Uiso 0.5 1 calc R . . . .
O10 O 0.251(2) 0.829(3) 0.5535(11) 0.090(4) Uani 0.5 1 d D U . A -1
H10 H 0.231(6) 0.877(15) 0.559(11) 0.136 Uiso 0.5 1 d DR . . C -1
C10A C 0.5308(17) 0.659(5) 0.317(2) 0.074(5) Uani 0.5 1 d D U . A .
H10C H 0.5521 0.6864 0.3469 0.089 Uiso 0.5 1 calc R . . . .
H10D H 0.5447 0.6008 0.2939 0.089 Uiso 0.5 1 calc R . . . .
C10 C 0.5062(16) 0.633(4) 0.411(2) 0.079(3) Uani 0.5 1 d D U . A .
H10A H 0.5377 0.6491 0.4070 0.094 Uiso 0.5 1 calc R . . A .
H10B H 0.5021 0.5715 0.4382 0.094 Uiso 0.5 1 calc R . . . .
O11 O 0.3688(15) 0.852(4) 0.6385(18) 0.091(4) Uani 0.5 1 d D U . . .
H11 H 0.3512 0.8972 0.6252 0.137 Uiso 0.5 1 calc GR . . A .
C11 C 0.4779(19) 0.848(5) 0.405(3) 0.079(3) Uani 0.5 1 d . U . A .
H11A H 0.4594 0.8943 0.4305 0.095 Uiso 0.5 1 calc R . . A .
H11B H 0.5073 0.8800 0.4008 0.095 Uiso 0.5 1 calc R . . . .
C11A C 0.5007(18) 0.850(5) 0.312(3) 0.077(5) Uani 0.5 1 d . U . A .
H11C H 0.5229 0.8767 0.3405 0.092 Uiso 0.5 1 calc R . . . .
H11D H 0.4956 0.9056 0.2807 0.092 Uiso 0.5 1 calc R . . . .
O12 O 0.3460(12) 0.678(3) 0.4078(16) 0.045(9) Uani 0.5 1 d . . . A 1
C12 C 0.4219(7) 0.7282(18) 0.1712(11) 0.053(4) Uani 1 1 d . U . . .
O13 O 0.4005(15) 0.757(4) 0.472(2) 0.100(13) Uani 0.5 1 d . U . A 1
C13A C 0.2993(7) 0.739(3) -0.0097(16) 0.054(3) Uani 0.5 1 d D U . A -1
H13C H 0.3139 0.7035 0.0248 0.065 Uiso 0.5 1 d R . . A -1
H13D H 0.3067 0.8157 -0.0082 0.065 Uiso 0.5 1 d R . . A -1
C13 C 0.4124(14) 0.735(4) 0.1056(19) 0.049(4) Uani 0.5 1 d . U . A -1
H13A H 0.3840 0.6996 0.0981 0.059 Uiso 0.5 1 calc R . . A -1
H13B H 0.4090 0.8108 0.0947 0.059 Uiso 0.5 1 calc R . . A -1
O14 O 0.3269(13) 0.688(3) 0.4251(19) 0.053(9) Uani 0.5 1 d . . . A 2
O14A O 0.3902(12) 0.677(3) 0.1693(16) 0.048(5) Uani 0.5 1 d . U . A 1
C14A C 0.3524(11) 0.738(3) -0.099(2) 0.050(10) Uani 0.5 1 d D . . A .
C14 C 0.4511(15) 0.741(5) 0.007(2) 0.069(4) Uani 0.5 1 d D U . A -1
O15 O 0.357(2) 0.769(3) 0.513(2) 0.113(18) Uani 0.5 1 d . . . A 2
O15A O 0.4497(10) 0.763(3) 0.1224(14) 0.059(4) Uani 0.5 1 d . U . A 1
C15A C 0.366(2) 0.842(4) -0.067(2) 0.080(7) Uani 0.5 1 d D U . . .
H15C H 0.3417 0.8933 -0.0692 0.096 Uiso 0.5 1 calc R . . A .
H15D H 0.3912 0.8735 -0.0896 0.096 Uiso 0.5 1 calc R . . . .
C15 C 0.4274(18) 0.845(5) -0.007(3) 0.076(5) Uani 0.5 1 d . U . . .
H15A H 0.4374 0.9020 0.0210 0.091 Uiso 0.5 1 calc R . . A .
H15B H 0.4333 0.8673 -0.0489 0.091 Uiso 0.5 1 calc R . . . .
O16A O 0.5669(14) 0.678(4) 0.197(2) 0.109(10) Uani 0.5 1 d D U . . .
H16A H 0.5664 0.6205 0.2155 0.163 Uiso 0.5 1 calc R . . A .
O16 O 0.4621(12) 0.836(3) 0.5072(16) 0.080(3) Uani 0.5 1 d D U . A -1
H16 H 0.4409 0.8249 0.4842 0.120 Uiso 0.5 1 calc R . . A -1
C16 C 0.4431(15) 0.651(4) -0.037(2) 0.068(5) Uani 0.5 1 d D U . . .
H16B H 0.4635 0.5919 -0.0279 0.082 Uiso 0.5 1 calc R . . A .
H16C H 0.4485 0.6757 -0.0786 0.082 Uiso 0.5 1 calc R . . . .
C16A C 0.3856(16) 0.647(4) -0.093(2) 0.070(6) Uani 0.5 1 d D U . . .
H16D H 0.3749 0.5859 -0.1170 0.083 Uiso 0.5 1 calc R . . A .
H16E H 0.4135 0.6705 -0.1113 0.083 Uiso 0.5 1 calc R . . . .
O17 O 0.4865(6) 0.6144(16) 0.3523(9) 0.078(3) Uani 1 1 d . U . . .
C17 C 0.4990(15) 0.754(4) -0.006(4) 0.080(6) Uani 0.5 1 d D U . A -1
H17A H 0.5137 0.7657 0.0330 0.096 Uiso 0.5 1 calc R . . A -1
H17B H 0.5092 0.6846 -0.0218 0.096 Uiso 0.5 1 calc R . . A -1
C17A C 0.340(2) 0.762(6) -0.159(2) 0.109(17) Uani 0.5 1 d D U . . .
H17C H 0.3665 0.7817 -0.1825 0.131 Uiso 0.5 1 calc R . . A .
H17D H 0.3206 0.8250 -0.1587 0.131 Uiso 0.5 1 calc R . . . .
O18 O 0.4579(6) 0.8270(16) 0.3458(9) 0.079(3) Uani 1 1 d . U . . .
C18 C 0.2500 0.725(3) -0.0038(14) 0.054(3) Uani 1 2 d DS TU P . .
O19 O 0.4653(15) 0.767(4) 0.186(2) 0.097(13) Uani 0.5 1 d . U . A 2
O19A O 0.2386(9) 0.680(2) 0.0401(12) 0.054(3) Uani 0.5 1 d . U . A -1
O20A O 0.2748(10) 0.769(2) -0.0564(13) 0.054(3) Uani 0.5 1 d . U . A -2
O20 O 0.3931(14) 0.683(3) 0.1986(16) 0.065(12) Uani 0.5 1 d . . . A 2
O21 O 0.5148(17) 0.827(4) -0.044(2) 0.111(10) Uani 0.5 1 d . U . A -1
H21 H 0.5224 0.7974 -0.0762 0.166 Uiso 0.5 1 calc R . . A -1
O21A O 0.3175(15) 0.675(5) -0.1919(18) 0.116(16) Uani 0.5 1 d D U . A .
H21A H 0.3194 0.6188 -0.1717 0.174 Uiso 0.5 1 calc R . . . .
O22 O 0.3945(6) 0.6101(15) -0.0309(7) 0.066(4) Uani 1 1 d . U . . .
O23 O 0.3799(7) 0.8252(15) 0.0018(9) 0.080(4) Uani 1 1 d . U . . .
Cl6 Cl 0.2500 1.0000 0.0560(8) 0.082(4) Uani 1 4 d S T P . .
Cl5 Cl 0.2500 0.5000 -0.0985(10) 0.138(8) Uani 1 4 d S T P . .
Cl2 Cl 0.3301(4) 1.0000 0.4004(6) 0.091(3) Uani 1 2 d S T P . .
Cl4 Cl 0.4874(4) 0.5000 0.1419(5) 0.087(3) Uani 1 2 d S T P . .
Cl8 Cl 0.2500 0.771(2) 0.2474(17) 0.135(11) Uani 0.5 2 d S TU P . .
Cl3 Cl 0.3984(4) 0.5000 0.5272(6) 0.100(4) Uani 1 2 d S T P . .
Cl7 Cl 0.3797(4) 1.0000 0.1883(6) 0.095(3) Uani 1 2 d S T P . .


_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
Sm1 O1 2.429(11) 2_565 ?
Sm1 O1 2.429(11) . ?
Sm1 O1W 2.51(2) . ?
Sm1 N1 2.71(5) . ?
Sm1 N1 2.71(5) 8_655 ?
Sm1 Sm2 3.7251(15) 2_565 ?
Sm1 C5 2.33(3) 8_655 ?
Sm1 H5A 1.4561 . ?
Sm1 O8 2.391(15) . ?
Sm1 O9 2.46(3) . ?
Sm1 O10 2.52(3) . ?
Sm1 O14 2.65(4) 8_655 ?
Sm1 O14 2.65(4) . ?
Cl1 Sm2 3.226(14) . ?
Cl1 Sm2 3.226(14) 2_565 ?
Cl1 Sm4 3.217(6) 2_565 ?
Cl1 Sm4 3.217(6) . ?
Cl1 Sm6 3.257(17) . ?
O1 Sm1 2.429(11) 2_565 ?
O1 H1 0.9800 . ?
O1 Sm2 2.373(16) . ?
O1W H1WA 0.8995 . ?
O1W H1WB 0.8997 . ?
N1 H1A 0.8600 . ?
N1 C3 1.42(7) . ?
N1 C5 1.21(5) . ?
C1 H1B 0.9700 . ?
C1 H1C 0.9700 . ?
C1 C3 1.56(9) . ?
C1 O10 1.45(2) . ?
Sm2 O2 2.40(2) . ?
Sm2 Sm3 3.7161(14) 7_565 ?
Sm2 O7 2.345(12) . ?
Sm2 O7 2.345(12) 7_565 ?
Sm2 O8 2.355(12) 2_565 ?
Sm2 O8 2.355(11) . ?
Sm2 O12 2.54(4) 7_565 ?
Sm2 O12 2.54(4) . ?
Sm2 O14 2.64(4) 7_565 ?
Sm2 O14 2.64(4) . ?
O2W H2WA 0.9209 . ?
O2W H2WB 0.9174 . ?
O2W Sm3 2.522(15) . ?
O2 H2 0.9800 . ?
O2 Sm3 2.407(10) . ?
O2 Sm3 2.407(10) 7_565 ?
N2A H2AA 0.9800 . ?
N2A Sm3 2.72(4) . ?
N2A C7A 1.27(5) . ?
N2A C8A 1.58(6) . ?
N2 H2A 0.9800 . ?
N2 Sm3 2.75(5) . ?
N2 C7 1.33(5) . ?
N2 C8 1.52(7) . ?
N2 O13 1.38(6) . ?
C2 H2B 0.9700 . ?
C2 H2C 0.9700 . ?
C2 C3 1.51(2) . ?
C2 O9 1.49(2) . ?
Sm3 O3 2.423(9) . ?
Sm3 Sm4 3.7213(14) . ?
Sm3 O7 2.382(12) . ?
Sm3 O12 2.71(3) . ?
Sm3 O17 2.452(18) . ?
Sm3 O18 2.507(19) . ?
Sm3 O20 2.70(4) . ?
O3 Sm3 2.423(9) 7_565 ?
O3 H3 0.9800 . ?
O3 Sm4 2.378(19) . ?
O3W H3WA 0.9328 . ?
O3W H3WB 0.9260 . ?
O3W Sm5 2.528(16) . ?
N3 H3A 0.9800 . ?
N3 Sm5 2.74(4) . ?
N3 C13 1.20(5) . ?
N3 C14 1.54(6) . ?
N3 O15A 1.41(5) . ?
N3A H3AA 0.9800 . ?
N3A Sm5 2.74(3) . ?
N3A C13A 1.21(2) . ?
N3A C14A 1.57(5) . ?
N3A O20A 1.43(5) . ?
C3 C4 1.29(8) . ?
Sm4 Sm3 3.7213(14) 7_565 ?
Sm4 O4 2.390(14) . ?
Sm4 O6 2.352(13) 7_565 ?
Sm4 O6 2.352(13) . ?
Sm4 O7 2.346(12) 7_565 ?
Sm4 O7 2.346(12) . ?
Sm4 O14A 2.57(4) . ?
Sm4 O14A 2.57(4) 7_565 ?
Sm4 O20 2.57(4) . ?
Sm4 O20 2.57(4) 7_565 ?
O4 H4 0.9800 . ?
O4 Sm5 2.420(9) . ?
O4 Sm5 2.419(9) 7_565 ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C4 O11 1.45(2) . ?
Sm5 Sm5 4.055(2) 7_565 ?
Sm5 O5 2.428(9) . ?
Sm5 Sm6 3.7133(11) . ?
Sm5 O6 2.395(11) . ?
Sm5 H13C 1.3639 . ?
Sm5 O14A 2.72(4) . ?
Sm5 O22 2.429(15) . ?
Sm5 O23 2.486(17) . ?
O5 Sm5 2.428(9) 7_565 ?
O5 H5 0.9800 . ?
O5 Sm6 2.366(17) . ?
C5 H5A 0.9701 . ?
C5 H5B 0.9700 . ?
C5 C6 1.41(4) . ?
Sm6 Sm5 3.7134(11) 7_565 ?
Sm6 Sm5 3.7134(11) 8_655 ?
Sm6 Sm5 3.7134(11) 2_565 ?
Sm6 O5 2.366(17) 2_565 ?
Sm6 O6 2.344(11) 2_565 ?
Sm6 O6 2.344(11) 8_655 ?
Sm6 O6 2.344(11) . ?
Sm6 O6 2.344(11) 7_565 ?
Sm6 O19A 2.57(2) . ?
O6 H6 0.9800 . ?
C6 C7 1.40(4) . ?
C6 O12 1.19(4) . ?
C6 O13 1.42(5) . ?
C6 O14 1.18(4) . ?
C6 O15 1.40(5) . ?
O7 H7 0.9800 . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 O12 1.69(5) . ?
C7 O13 1.21(5) . ?
C7A H7AB 0.9700 . ?
C7A H7AA 0.9700 . ?
C7A C12 1.40(4) . ?
O8 Sm2 2.355(11) 2_565 ?
O8 H8 0.9800 . ?
C8A C9A 1.45(6) . ?
C8A C10A 1.34(7) . ?
C8A C11A 1.64(7) . ?
C8 C9 1.51(2) . ?
C8 C10 1.48(2) . ?
C8 C11 1.58(8) . ?
O9 H9 0.851(10) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 O16 1.46(2) . ?
C9A H9AA 0.9700 . ?
C9A H9AB 0.9700 . ?
C9A O16A 1.41(2) . ?
O10 H10 0.851(10) . ?
C10A H10C 0.9700 . ?
C10A H10D 0.9700 . ?
C10A O17 1.63(5) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 O17 1.41(5) . ?
O11 H11 0.8200 . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 O18 1.44(6) . ?
C11A H11C 0.9700 . ?
C11A H11D 0.9700 . ?
C11A O18 1.51(6) . ?
C12 C13 1.45(5) . ?
C12 O14A 1.14(4) . ?
C12 O15A 1.41(4) . ?
C12 O19 1.42(5) . ?
C12 O20 1.19(4) . ?
C13A H13C 0.9701 . ?
C13A H13D 0.9699 . ?
C13A C18 1.496(19) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 O14A 1.68(5) . ?
C13 O15A 1.23(5) . ?
C14A C15A 1.51(2) . ?
C14A C16A 1.51(2) . ?
C14A C17A 1.38(7) . ?
C14 C15 1.49(7) . ?
C14 C16 1.48(7) . ?
C14 C17 1.48(2) . ?
C15A H15C 0.9700 . ?
C15A H15D 0.9700 . ?
C15A O23 1.56(6) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 O23 1.46(6) . ?
O16A H16A 0.8200 . ?
O16 H16 0.8200 . ?
C16 H16B 0.9700 . ?
C16 H16C 0.9700 . ?
C16 O22 1.55(4) . ?
C16A H16D 0.9700 . ?
C16A H16E 0.9700 . ?
C16A O22 1.44(5) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C17 O21 1.29(7) . ?
C17A H17C 0.9700 . ?
C17A H17D 0.9700 . ?
C17A O21A 1.45(2) . ?
C18 O19A 1.15(4) . ?
C18 O20A 1.46(4) . ?
O21 H21 0.8200 . ?
O21A H21A 0.8200 . ?

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
O1 Sm1 O1 65.8(8) 2_565 . ?
O1 Sm1 O1W 131.5(5) 2_565 . ?
O1 Sm1 O1W 131.5(5) . . ?
O1 Sm1 N1 130.5(13) 2_565 . ?
O1 Sm1 N1 130.5(13) . 8_655 ?
O1 Sm1 N1 74.9(13) 2_565 8_655 ?
O1 Sm1 N1 74.9(13) . . ?
O1 Sm1 Sm2 76.7(4) . 2_565 ?
O1 Sm1 Sm2 38.6(4) 2_565 2_565 ?
O1 Sm1 H5A 137.2 2_565 . ?
O1 Sm1 H5A 71.8 . . ?
O1 Sm1 O9 80.6(11) 2_565 . ?
O1 Sm1 O9 82.5(11) . . ?
O1 Sm1 O10 135.0(13) . . ?
O1 Sm1 O10 136.6(15) 2_565 . ?
O1 Sm1 O14 121.7(10) 2_565 . ?
O1 Sm1 O14 65.2(9) 2_565 8_655 ?
O1 Sm1 O14 65.2(9) . . ?
O1 Sm1 O14 121.7(10) . 8_655 ?
O1W Sm1 N1 97.0(13) . . ?
O1W Sm1 N1 97.0(13) . 8_655 ?
O1W Sm1 Sm2 95.6(5) . 2_565 ?
O1W Sm1 H5A 74.6 . . ?
O1W Sm1 O10 69.2(9) . . ?
O1W Sm1 O14 69.5(9) . . ?
O1W Sm1 O14 69.5(9) . 8_655 ?
N1 Sm1 N1 114(2) 8_655 . ?
N1 Sm1 Sm2 91.1(11) 8_655 2_565 ?
N1 Sm1 Sm2 150.5(11) . 2_565 ?
N1 Sm1 H5A 36.1 . . ?
N1 Sm1 H5A 143.3 8_655 . ?
Sm2 Sm1 H5A 124.9 2_565 . ?
C5 Sm1 O1 144.8(8) 8_655 . ?
C5 Sm1 O1 79.2(8) 8_655 2_565 ?
C5 Sm1 O1W 75.4(7) 8_655 . ?
C5 Sm1 N1 26.3(13) 8_655 8_655 ?
C5 Sm1 N1 130.6(13) 8_655 . ?
C5 Sm1 Sm2 78.5(7) 8_655 2_565 ?
C5 Sm1 H5A 143.3 8_655 . ?
C5 Sm1 O8 101.5(7) 8_655 . ?
C5 Sm1 O9 88.2(15) 8_655 . ?
C5 Sm1 O10 70.0(17) 8_655 . ?
O8 Sm1 O1 72.7(5) . 2_565 ?
O8 Sm1 O1 72.7(5) . . ?
O8 Sm1 O1W 72.8(7) . . ?
O8 Sm1 N1 123.1(10) . 8_655 ?
O8 Sm1 N1 123.1(10) . . ?
O8 Sm1 Sm2 37.9(3) . 2_565 ?
O8 Sm1 H5A 89.1 . . ?
O8 Sm1 O9 149.1(9) . . ?
O8 Sm1 O10 142.1(9) . . ?
O8 Sm1 O14 64.2(9) . 8_655 ?
O8 Sm1 O14 64.2(9) . . ?
O9 Sm1 O1W 137.9(9) . . ?
O9 Sm1 N1 65.0(18) . . ?
O9 Sm1 N1 61.9(18) . 8_655 ?
O9 Sm1 Sm2 119.0(10) . 2_565 ?
O9 Sm1 H5A 100.5 . . ?
O9 Sm1 O10 68.8(10) . . ?
O10 Sm1 N1 62.0(19) . . ?
O10 Sm1 N1 63.8(19) . 8_655 ?
O10 Sm1 Sm2 147.5(14) . 2_565 ?
O10 Sm1 H5A 80.0 . . ?
O14 Sm1 Sm2 100.3(9) . 2_565 ?
O14 Sm1 Sm2 45.2(9) 8_655 2_565 ?
O14 Sm1 O14 120.9(18) . 8_655 ?
Sm2 Cl1 Sm2 71.9(4) 2_565 . ?
Sm2 Cl1 Sm6 144.06(18) . . ?
Sm2 Cl1 Sm6 144.06(18) 2_565 . ?
Sm4 Cl1 Sm2 72.31(12) . . ?
Sm4 Cl1 Sm2 144.2(5) . 2_565 ?
Sm4 Cl1 Sm2 144.2(5) 2_565 . ?
Sm4 Cl1 Sm2 72.31(12) 2_565 2_565 ?
Sm4 Cl1 Sm4 143.5(6) 2_565 . ?
Sm4 Cl1 Sm6 71.8(3) . . ?
Sm4 Cl1 Sm6 71.8(3) 2_565 . ?
Sm1 O1 Sm1 113.5(8) . 2_565 ?
Sm1 O1 H1 112.9 2_565 . ?
Sm1 O1 H1 112.9 . . ?
Sm2 O1 Sm1 101.8(5) . . ?
Sm2 O1 Sm1 101.8(5) . 2_565 ?
Sm2 O1 H1 112.9 . . ?
Sm1 O1W H1WA 111.9 . . ?
Sm1 O1W H1WB 111.5 . . ?
H1WA O1W H1WB 102.1 . . ?
Sm1 N1 H1A 105.0 . . ?
C3 N1 Sm1 110(4) . . ?
C3 N1 H1A 109.3 . . ?
C5 N1 Sm1 59(3) . . ?
C5 N1 H1A 109.3 . . ?
C5 N1 C3 141(6) . . ?
H1B C1 H1C 107.7 . . ?
C3 C1 H1B 108.9 . . ?
C3 C1 H1C 108.9 . . ?
O10 C1 H1B 108.9 . . ?
O10 C1 H1C 108.9 . . ?
O10 C1 C3 113(5) . . ?
Cl1 Sm2 Sm3 103.55(15) . 7_565 ?
O1 Sm2 Cl1 130.1(5) . . ?
O1 Sm2 O2 100.9(7) . . ?
O1 Sm2 Sm3 117.7(4) . 7_565 ?
O1 Sm2 O12 77.1(8) . 7_565 ?
O1 Sm2 O12 77.1(8) . . ?
O1 Sm2 O14 66.1(8) . . ?
O1 Sm2 O14 66.1(8) . 7_565 ?
O2 Sm2 Cl1 129.0(5) . . ?
O2 Sm2 Sm3 39.4(2) . 7_565 ?
O2 Sm2 O12 66.1(8) . . ?
O2 Sm2 O12 66.1(8) . 7_565 ?
O2 Sm2 O14 79.6(9) . . ?
O2 Sm2 O14 79.6(9) . 7_565 ?
O7 Sm2 Cl1 65.4(3) 7_565 . ?
O7 Sm2 Cl1 65.4(3) . . ?
O7 Sm2 O1 143.4(3) . . ?
O7 Sm2 O1 143.4(3) 7_565 . ?
O7 Sm2 O2 73.7(5) . . ?
O7 Sm2 O2 73.7(5) 7_565 . ?
O7 Sm2 Sm3 38.5(3) 7_565 7_565 ?
O7 Sm2 Sm3 81.5(3) . 7_565 ?
O7 Sm2 O7 71.0(6) 7_565 . ?
O7 Sm2 O8 88.5(5) 7_565 2_565 ?
O7 Sm2 O8 131.2(5) 7_565 . ?
O7 Sm2 O8 131.2(5) . 2_565 ?
O7 Sm2 O8 88.5(5) . . ?
O7 Sm2 O12 128.3(8) 7_565 . ?
O7 Sm2 O12 128.3(8) . 7_565 ?
O7 Sm2 O12 67.6(8) . . ?
O7 Sm2 O12 67.6(8) 7_565 7_565 ?
O7 Sm2 O14 77.4(9) 7_565 7_565 ?
O7 Sm2 O14 77.4(9) . . ?
O7 Sm2 O14 143.1(9) . 7_565 ?
O7 Sm2 O14 143.1(9) 7_565 . ?
O8 Sm2 Cl1 65.8(4) 2_565 . ?
O8 Sm2 Cl1 65.8(4) . . ?
O8 Sm2 O1 74.4(5) . . ?
O8 Sm2 O1 74.4(5) 2_565 . ?
O8 Sm2 O2 143.0(4) 2_565 . ?
O8 Sm2 O2 143.0(4) . . ?
O8 Sm2 Sm3 109.5(4) 2_565 7_565 ?
O8 Sm2 Sm3 167.9(4) . 7_565 ?
O8 Sm2 O8 72.3(8) 2_565 . ?
O8 Sm2 O12 142.6(8) . 7_565 ?
O8 Sm2 O12 77.2(8) 2_565 7_565 ?
O8 Sm2 O12 77.2(8) . . ?
O8 Sm2 O12 142.6(8) 2_565 . ?
O8 Sm2 O14 64.8(10) 2_565 7_565 ?
O8 Sm2 O14 127.4(9) 2_565 . ?
O8 Sm2 O14 64.8(10) . . ?
O8 Sm2 O14 127.4(9) . 7_565 ?
O12 Sm2 Cl1 119.5(8) 7_565 . ?
O12 Sm2 Cl1 119.5(8) . . ?
O12 Sm2 Sm3 46.8(7) 7_565 7_565 ?
O12 Sm2 Sm3 104.9(7) . 7_565 ?
O12 Sm2 O12 118.9(17) . 7_565 ?
O14 Sm2 Cl1 117.5(9) . . ?
O14 Sm2 Cl1 117.5(9) 7_565 . ?
O14 Sm2 Sm3 118.9(9) . 7_565 ?
O14 Sm2 Sm3 61.8(8) 7_565 7_565 ?
O14 Sm2 O14 122.3(17) . 7_565 ?
H2WA O2W H2WB 101.5 . . ?
Sm3 O2W H2WA 112.5 . . ?
Sm3 O2W H2WB 112.2 . . ?
Sm2 O2 H2 112.8 . . ?
Sm2 O2 Sm3 101.3(6) . 7_565 ?
Sm2 O2 Sm3 101.3(6) . . ?
Sm3 O2 H2 112.8 7_565 . ?
Sm3 O2 H2 112.8 . . ?
Sm3 O2 Sm3 114.9(7) 7_565 . ?
Sm3 N2A H2AA 114.4 . . ?
C7A N2A H2AA 114.4 . . ?
C7A N2A Sm3 58(2) . . ?
C7A N2A C8A 131(4) . . ?
C8A N2A H2AA 114.4 . . ?
C8A N2A Sm3 106(2) . . ?
Sm3 N2 H2A 115.8 . . ?
C7 N2 H2A 115.8 . . ?
C7 N2 Sm3 57(2) . . ?
C7 N2 C8 128(4) . . ?
C7 N2 O13 53(3) . . ?
C8 N2 H2A 115.8 . . ?
C8 N2 Sm3 96(3) . . ?
O13 N2 H2A 93.0 . . ?
O13 N2 Sm3 111(3) . . ?
O13 N2 C8 127(4) . . ?
H2B C2 H2C 107.1 . . ?
C3 C2 H2B 107.7 . . ?
C3 C2 H2C 107.7 . . ?
O9 C2 H2B 107.7 . . ?
O9 C2 H2C 107.7 . . ?
O9 C2 C3 118(5) . . ?
Sm2 Sm3 Sm4 61.47(3) . . ?
O2W Sm3 Sm2 95.0(4) . . ?
O2W Sm3 N2A 98.8(11) . . ?
O2W Sm3 N2 100.1(11) . . ?
O2W Sm3 Sm4 94.7(4) . . ?
O2W Sm3 O12 72.1(9) . . ?
O2W Sm3 O20 69.9(9) . . ?
O2 Sm3 Sm2 39.3(5) . . ?
O2 Sm3 O2W 132.0(6) . . ?
O2 Sm3 N2A 127.7(11) . . ?
O2 Sm3 N2 72.6(12) . . ?
O2 Sm3 O3 65.1(5) . . ?
O2 Sm3 Sm4 76.9(4) . . ?
O2 Sm3 O12 63.3(9) . . ?
O2 Sm3 O17 81.8(7) . . ?
O2 Sm3 O18 133.7(6) . . ?
O2 Sm3 O20 120.4(10) . . ?
N2A Sm3 Sm2 148.4(9) . . ?
N2A Sm3 N2 115.5(13) . . ?
N2A Sm3 Sm4 89.0(9) . . ?
N2 Sm3 Sm2 89.6(10) . . ?
N2 Sm3 Sm4 148.6(10) . . ?
O3 Sm3 Sm2 76.9(4) . . ?
O3 Sm3 O2W 131.0(6) . . ?
O3 Sm3 N2A 72.5(10) . . ?
O3 Sm3 N2 127.6(12) . . ?
O3 Sm3 Sm4 38.7(4) . . ?
O3 Sm3 O12 119.6(10) . . ?
O3 Sm3 O17 81.1(6) . . ?
O3 Sm3 O18 136.7(6) . . ?
O3 Sm3 O20 64.2(9) . . ?
O7 Sm3 Sm2 37.8(3) . . ?
O7 Sm3 O2W 72.5(5) . . ?
O7 Sm3 O2 72.9(6) . . ?
O7 Sm3 N2A 121.8(9) . . ?
O7 Sm3 N2 122.7(10) . . ?
O7 Sm3 O3 72.5(5) . . ?
O7 Sm3 Sm4 37.7(3) . . ?
O7 Sm3 O12 64.3(9) . . ?
O7 Sm3 O17 149.1(6) . . ?
O7 Sm3 O18 143.3(5) . . ?
O7 Sm3 O20 63.6(10) . . ?
O12 Sm3 Sm2 43.1(9) . . ?
O12 Sm3 N2A 167.7(13) . . ?
O12 Sm3 N2 59.7(13) . . ?
O12 Sm3 Sm4 99.8(9) . . ?
O17 Sm3 Sm2 121.0(5) . . ?
O17 Sm3 O2W 138.4(6) . . ?
O17 Sm3 N2A 62.1(10) . . ?
O17 Sm3 N2 63.1(11) . . ?
O17 Sm3 Sm4 119.7(5) . . ?
O17 Sm3 O12 119.1(9) . . ?
O17 Sm3 O18 67.6(6) . . ?
O17 Sm3 O20 118.3(10) . . ?
O18 Sm3 Sm2 145.0(5) . . ?
O18 Sm3 O2W 70.8(6) . . ?
O18 Sm3 N2A 66.7(10) . . ?
O18 Sm3 N2 63.0(11) . . ?
O18 Sm3 Sm4 148.4(4) . . ?
O18 Sm3 O12 102.0(10) . . ?
O18 Sm3 O20 104.8(10) . . ?
O20 Sm3 Sm2 99.6(9) . . ?
O20 Sm3 Sm4 43.8(9) . . ?
Sm3 O3 Sm3 113.7(7) . 7_565 ?
Sm3 O3 H3 112.9 7_565 . ?
Sm3 O3 H3 112.9 . . ?
Sm4 O3 Sm3 101.6(5) . . ?
Sm4 O3 Sm3 101.6(5) . 7_565 ?
Sm4 O3 H3 112.9 . . ?
H3WA O3W H3WB 101.3 . . ?
Sm5 O3W H3WA 113.4 . . ?
Sm5 O3W H3WB 111.7 . . ?
Sm5 N3 H3A 117.8 . . ?
C13 N3 H3A 117.8 . . ?
C13 N3 Sm5 57(3) . . ?
C13 N3 C14 124(4) . . ?
C13 N3 O15A 55(3) . . ?
C14 N3 H3A 117.8 . . ?
C14 N3 Sm5 100(3) . . ?
O15A N3 H3A 93.8 . . ?
O15A N3 Sm5 113(2) . . ?
O15A N3 C14 116(3) . . ?
Sm5 N3A H3AA 92.0 . . ?
C13A N3A H3AA 114.1 . . ?
C13A N3A Sm5 55(2) . . ?
C13A N3A C14A 128(3) . . ?
C14A N3A H3AA 114.1 . . ?
C14A N3A Sm5 105(2) . . ?
O20A N3A H3AA 114.1 . . ?
O20A N3A Sm5 114(2) . . ?
O20A N3A C14A 115(3) . . ?
N1 C3 C1 103(5) . . ?
N1 C3 C2 109(5) . . ?
C2 C3 C1 103(5) . . ?
C4 C3 N1 122(6) . . ?
C4 C3 C1 112(5) . . ?
C4 C3 C2 106(5) . . ?
Cl1 Sm4 Sm3 103.6(2) . 7_565 ?
O3 Sm4 Cl1 129.5(5) . . ?
O3 Sm4 Sm3 39.6(2) . 7_565 ?
O3 Sm4 O4 100.3(6) . . ?
O3 Sm4 O14A 76.5(9) . . ?
O3 Sm4 O14A 76.5(9) . 7_565 ?
O3 Sm4 O20 66.9(9) . . ?
O3 Sm4 O20 66.9(9) . 7_565 ?
O4 Sm4 Cl1 130.1(5) . . ?
O4 Sm4 Sm3 117.6(3) . 7_565 ?
O4 Sm4 O14A 65.1(8) . . ?
O4 Sm4 O14A 65.1(8) . 7_565 ?
O4 Sm4 O20 78.2(8) . . ?
O4 Sm4 O20 78.2(8) . 7_565 ?
O6 Sm4 Cl1 65.9(4) 7_565 . ?
O6 Sm4 Cl1 65.9(4) . . ?
O6 Sm4 Sm3 110.0(3) 7_565 7_565 ?
O6 Sm4 Sm3 168.2(3) . 7_565 ?
O6 Sm4 O3 143.2(3) 7_565 . ?
O6 Sm4 O3 143.3(3) . . ?
O6 Sm4 O4 74.2(4) 7_565 . ?
O6 Sm4 O4 74.2(4) . . ?
O6 Sm4 O6 71.4(6) 7_565 . ?
O6 Sm4 O14A 128.5(9) 7_565 . ?
O6 Sm4 O14A 68.2(9) 7_565 7_565 ?
O6 Sm4 O14A 128.5(9) . 7_565 ?
O6 Sm4 O14A 68.2(9) . . ?
O6 Sm4 O20 76.5(9) 7_565 7_565 ?
O6 Sm4 O20 76.5(9) . . ?
O6 Sm4 O20 142.1(9) . 7_565 ?
O6 Sm4 O20 142.1(9) 7_565 . ?
O7 Sm4 Cl1 65.6(4) 7_565 . ?
O7 Sm4 Cl1 65.6(4) . . ?
O7 Sm4 Sm3 81.4(3) . 7_565 ?
O7 Sm4 Sm3 38.4(3) 7_565 7_565 ?
O7 Sm4 O3 73.9(5) 7_565 . ?
O7 Sm4 O3 73.9(5) . . ?
O7 Sm4 O4 143.4(3) . . ?
O7 Sm4 O4 143.4(3) 7_565 . ?
O7 Sm4 O6 89.1(4) 7_565 7_565 ?
O7 Sm4 O6 131.4(4) 7_565 . ?
O7 Sm4 O6 131.4(4) . 7_565 ?
O7 Sm4 O6 89.1(4) . . ?
O7 Sm4 O7 71.0(6) . 7_565 ?
O7 Sm4 O14A 142.1(9) 7_565 . ?
O7 Sm4 O14A 78.5(8) . . ?
O7 Sm4 O14A 142.1(8) . 7_565 ?
O7 Sm4 O14A 78.5(8) 7_565 7_565 ?
O7 Sm4 O20 66.2(8) . . ?
O7 Sm4 O20 127.9(8) . 7_565 ?
O7 Sm4 O20 127.9(8) 7_565 . ?
O7 Sm4 O20 66.2(8) 7_565 7_565 ?
O14A Sm4 Cl1 120.8(9) . . ?
O14A Sm4 Cl1 120.8(9) 7_565 . ?
O14A Sm4 Sm3 116.1(8) . 7_565 ?
O14A Sm4 Sm3 60.8(8) 7_565 7_565 ?
O14A Sm4 O14A 116.6(17) . 7_565 ?
O20 Sm4 Cl1 117.8(8) 7_565 . ?
O20 Sm4 Cl1 117.8(8) . . ?
O20 Sm4 Sm3 46.6(8) 7_565 7_565 ?
O20 Sm4 Sm3 105.5(9) . 7_565 ?
O20 Sm4 O20 122.3(17) 7_565 . ?
Sm4 O4 H4 113.0 . . ?
Sm4 O4 Sm5 101.5(4) . 7_565 ?
Sm4 O4 Sm5 101.5(4) . . ?
Sm5 O4 H4 113.0 . . ?
Sm5 O4 H4 113.0 7_565 . ?
Sm5 O4 Sm5 113.9(6) 7_565 . ?
C3 C4 H4A 110.1 . . ?
C3 C4 H4B 110.1 . . ?
C3 C4 O11 108(5) . . ?
H4A C4 H4B 108.4 . . ?
O11 C4 H4A 110.1 . . ?
O11 C4 H4B 110.1 . . ?
O3W Sm5 N3 99.8(9) . . ?
O3W Sm5 N3A 98.1(8) . . ?
O3W Sm5 Sm4 94.5(4) . . ?
O3W Sm5 Sm5 145.6(4) . 7_565 ?
O3W Sm5 Sm6 94.0(4) . . ?
O3W Sm5 H13C 70.9 . . ?
O3W Sm5 O14A 72.8(9) . . ?
N3 Sm5 N3A 118.4(11) . . ?
N3 Sm5 Sm4 87.9(8) . . ?
N3 Sm5 Sm5 98.0(9) . 7_565 ?
N3 Sm5 Sm6 147.2(8) . . ?
N3 Sm5 H13C 141.2 . . ?
N3A Sm5 Sm4 148.1(8) . . ?
N3A Sm5 Sm5 98.9(8) . 7_565 ?
N3A Sm5 Sm6 88.5(8) . . ?
N3A Sm5 H13C 33.7 . . ?
Sm4 Sm5 Sm5 57.023(18) . 7_565 ?
Sm4 Sm5 H13C 129.5 . . ?
O4 Sm5 O3W 131.2(5) . . ?
O4 Sm5 N3 71.6(9) . . ?
O4 Sm5 N3A 128.8(8) . . ?
O4 Sm5 Sm4 39.0(3) . . ?
O4 Sm5 Sm5 33.1(3) . 7_565 ?
O4 Sm5 O5 65.9(5) . . ?
O4 Sm5 Sm6 76.9(3) . . ?
O4 Sm5 H13C 142.9 . . ?
O4 Sm5 O14A 62.4(9) . . ?
O4 Sm5 O22 80.9(5) . . ?
O4 Sm5 O23 134.6(6) . . ?
Sm5 Sm5 H13C 110.6 7_565 . ?
O5 Sm5 O3W 130.1(6) . . ?
O5 Sm5 N3 128.4(9) . . ?
O5 Sm5 N3A 72.3(9) . . ?
O5 Sm5 Sm4 77.1(3) . . ?
O5 Sm5 Sm5 33.4(3) . 7_565 ?
O5 Sm5 Sm6 38.6(4) . . ?
O5 Sm5 H13C 77.3 . . ?
O5 Sm5 O14A 120.1(8) . . ?
O5 Sm5 O22 80.2(6) . . ?
O5 Sm5 O23 135.5(6) . . ?
Sm6 Sm5 Sm4 61.34(3) . . ?
Sm6 Sm5 Sm5 56.908(16) . 7_565 ?
Sm6 Sm5 H13C 71.5 . . ?
O6 Sm5 O3W 71.5(5) . . ?
O6 Sm5 N3 120.6(8) . . ?
O6 Sm5 N3A 121.0(8) . . ?
O6 Sm5 Sm4 37.9(3) . . ?
O6 Sm5 O4 72.9(5) . . ?
O6 Sm5 Sm5 74.1(3) . 7_565 ?
O6 Sm5 O5 72.8(5) . . ?
O6 Sm5 Sm6 37.9(3) . . ?
O6 Sm5 H13C 92.8 . . ?
O6 Sm5 O14A 65.2(8) . . ?
O6 Sm5 O22 148.1(5) . . ?
O6 Sm5 O23 143.1(6) . . ?
O14A Sm5 N3 56.6(11) . . ?
O14A Sm5 N3A 167.4(11) . . ?
O14A Sm5 Sm4 43.6(7) . . ?
O14A Sm5 Sm5 93.4(8) . 7_565 ?
O14A Sm5 Sm6 100.6(7) . . ?
O14A Sm5 H13C 142.1 . . ?
O22 Sm5 O3W 140.4(6) . . ?
O22 Sm5 N3 65.2(9) . . ?
O22 Sm5 N3A 63.8(8) . . ?
O22 Sm5 Sm4 119.8(4) . . ?
O22 Sm5 Sm5 74.0(4) . 7_565 ?
O22 Sm5 Sm6 118.7(4) . . ?
O22 Sm5 H13C 97.5 . . ?
O22 Sm5 O14A 117.7(9) . . ?
O22 Sm5 O23 68.8(6) . . ?
O23 Sm5 O3W 71.6(6) . . ?
O23 Sm5 N3 65.3(10) . . ?
O23 Sm5 N3A 65.8(9) . . ?
O23 Sm5 Sm4 146.1(5) . . ?
O23 Sm5 Sm5 142.7(5) . 7_565 ?
O23 Sm5 Sm6 147.5(5) . . ?
O23 Sm5 H13C 76.2 . . ?
O23 Sm5 O14A 102.6(9) . . ?
Sm5 O5 Sm5 113.2(7) . 7_565 ?
Sm5 O5 H5 113.2 7_565 . ?
Sm5 O5 H5 113.2 . . ?
Sm6 O5 Sm5 101.5(4) . 7_565 ?
Sm6 O5 Sm5 101.5(4) . . ?
Sm6 O5 H5 113.2 . . ?
N1 C5 H5A 107.2 . . ?
N1 C5 H5B 106.3 . . ?
N1 C5 C6 122(4) . . ?
H5A C5 H5B 106.5 . . ?
C6 C5 H5A 107.3 . . ?
C6 C5 H5B 106.2 . . ?
Cl1 Sm6 Sm5 103.61(3) . 8_655 ?
Cl1 Sm6 Sm5 103.61(3) . 7_565 ?
Cl1 Sm6 Sm5 103.61(3) . . ?
Cl1 Sm6 Sm5 103.61(3) . 2_565 ?
Sm5 Sm6 Sm5 152.78(6) . 2_565 ?
Sm5 Sm6 Sm5 66.18(3) . 7_565 ?
Sm5 Sm6 Sm5 107.04(4) 2_565 7_565 ?
Sm5 Sm6 Sm5 152.78(6) 8_655 7_565 ?
Sm5 Sm6 Sm5 107.04(4) . 8_655 ?
Sm5 Sm6 Sm5 66.18(3) 2_565 8_655 ?
O5 Sm6 Cl1 129.9(4) . . ?
O5 Sm6 Cl1 129.9(4) 2_565 . ?
O5 Sm6 Sm5 39.9(2) . . ?
O5 Sm6 Sm5 117.8(3) . 8_655 ?
O5 Sm6 Sm5 39.9(2) . 7_565 ?
O5 Sm6 Sm5 39.9(2) 2_565 2_565 ?
O5 Sm6 Sm5 117.8(3) 2_565 7_565 ?
O5 Sm6 Sm5 117.8(3) . 2_565 ?
O5 Sm6 Sm5 117.8(3) 2_565 . ?
O5 Sm6 Sm5 39.9(2) 2_565 8_655 ?
O5 Sm6 O5 100.2(8) 2_565 . ?
O5 Sm6 O19A 77.9(6) . . ?
O5 Sm6 O19A 65.6(6) 2_565 . ?
O6 Sm6 Cl1 65.2(3) 7_565 . ?
O6 Sm6 Cl1 65.2(3) . . ?
O6 Sm6 Cl1 65.2(3) 8_655 . ?
O6 Sm6 Cl1 65.2(3) 2_565 . ?
O6 Sm6 Sm5 109.7(3) 7_565 2_565 ?
O6 Sm6 Sm5 82.0(3) 2_565 8_655 ?
O6 Sm6 Sm5 38.9(3) 7_565 7_565 ?
O6 Sm6 Sm5 167.4(3) 7_565 8_655 ?
O6 Sm6 Sm5 109.7(3) 2_565 7_565 ?
O6 Sm6 Sm5 38.9(3) 8_655 8_655 ?
O6 Sm6 Sm5 167.4(3) 8_655 7_565 ?
O6 Sm6 Sm5 167.4(3) 2_565 . ?
O6 Sm6 Sm5 109.7(3) 8_655 . ?
O6 Sm6 Sm5 38.9(3) 2_565 2_565 ?
O6 Sm6 Sm5 82.0(3) 7_565 . ?
O6 Sm6 Sm5 167.4(3) . 2_565 ?
O6 Sm6 Sm5 109.7(3) . 8_655 ?
O6 Sm6 Sm5 82.0(3) . 7_565 ?
O6 Sm6 Sm5 82.0(3) 8_655 2_565 ?
O6 Sm6 Sm5 38.9(3) . . ?
O6 Sm6 O5 143.2(3) . 2_565 ?
O6 Sm6 O5 74.8(4) . . ?
O6 Sm6 O5 143.2(3) 8_655 . ?
O6 Sm6 O5 74.8(4) 2_565 2_565 ?
O6 Sm6 O5 143.2(3) 2_565 . ?
O6 Sm6 O5 143.2(3) 7_565 2_565 ?
O6 Sm6 O5 74.8(4) 8_655 2_565 ?
O6 Sm6 O5 74.8(4) 7_565 . ?
O6 Sm6 O6 87.8(6) . 8_655 ?
O6 Sm6 O6 71.7(6) . 7_565 ?
O6 Sm6 O6 87.8(6) 2_565 7_565 ?
O6 Sm6 O6 71.7(6) 2_565 8_655 ?
O6 Sm6 O6 130.3(5) . 2_565 ?
O6 Sm6 O6 130.3(5) 7_565 8_655 ?
O6 Sm6 O19A 77.9(7) . . ?
O6 Sm6 O19A 66.8(7) 8_655 . ?
O6 Sm6 O19A 128.2(7) 2_565 . ?
O6 Sm6 O19A 143.3(7) 7_565 . ?
O19A Sm6 Cl1 119.0(6) . . ?
O19A Sm6 Sm5 117.7(6) . 7_565 ?
O19A Sm6 Sm5 46.1(6) . 8_655 ?
O19A Sm6 Sm5 104.5(6) . 2_565 ?
O19A Sm6 Sm5 61.4(6) . . ?
Sm4 O6 Sm5 103.4(5) . . ?
Sm4 O6 H6 113.8 . . ?
Sm5 O6 H6 113.8 . . ?
Sm6 O6 Sm4 107.8(5) . . ?
Sm6 O6 Sm5 103.2(4) . . ?
Sm6 O6 H6 113.8 . . ?
C5 C6 O13 118(3) . . ?
C7 C6 C5 167(2) . . ?
C7 C6 O13 51(2) . . ?
O12 C6 C5 111(3) . . ?
O12 C6 C7 81(3) . . ?
O12 C6 O13 129(3) . . ?
O14 C6 O15 128(4) . . ?
Sm2 O7 Sm3 103.7(5) . . ?
Sm2 O7 Sm4 108.3(5) . . ?
Sm2 O7 H7 113.4 . . ?
Sm3 O7 H7 113.4 . . ?
Sm4 O7 Sm3 103.8(5) . . ?
Sm4 O7 H7 113.4 . . ?
N2 C7 C6 116(3) . . ?
N2 C7 H7A 108.4 . . ?
N2 C7 H7B 108.4 . . ?
N2 C7 O12 128(3) . . ?
C6 C7 H7A 108.4 . . ?
C6 C7 H7B 108.4 . . ?
C6 C7 O12 44.0(15) . . ?
H7A C7 H7B 107.4 . . ?
O12 C7 H7A 64.4 . . ?
O12 C7 H7B 122.9 . . ?
O13 C7 N2 65(3) . . ?
O13 C7 C6 66(3) . . ?
O13 C7 H7A 165.1 . . ?
O13 C7 H7B 87.5 . . ?
O13 C7 O12 108(3) . . ?
N2A C7A H7AB 108.5 . . ?
N2A C7A H7AA 108.5 . . ?
N2A C7A C12 115(3) . . ?
H7AB C7A H7AA 107.5 . . ?
C12 C7A H7AB 108.5 . . ?
C12 C7A H7AA 108.5 . . ?
Sm1 O8 H8 113.9 . . ?
Sm2 O8 Sm1 103.4(5) . . ?
Sm2 O8 Sm1 103.4(5) 2_565 . ?
Sm2 O8 Sm2 107.0(8) 2_565 . ?
Sm2 O8 H8 113.9 2_565 . ?
Sm2 O8 H8 113.9 . . ?
N2A C8A C11A 104(4) . . ?
C9A C8A N2A 110(4) . . ?
C9A C8A C11A 110(4) . . ?
C10A C8A N2A 108(5) . . ?
C10A C8A C9A 109(4) . . ?
C10A C8A C11A 115(4) . . ?
N2 C8 C11 105(4) . . ?
C9 C8 N2 101(4) . . ?
C9 C8 C11 101(4) . . ?
C10 C8 N2 109(4) . . ?
C10 C8 C9 107(4) . . ?
C10 C8 C11 131(5) . . ?
Sm1 O9 H9 131(4) . . ?
C2 O9 Sm1 118(3) . . ?
C2 O9 H9 109(3) . . ?
C8 C9 H9A 113.0 . . ?
C8 C9 H9B 113.0 . . ?
H9A C9 H9B 110.4 . . ?
O16 C9 C8 93.8(16) . . ?
O16 C9 H9A 113.0 . . ?
O16 C9 H9B 113.0 . . ?
C8A C9A H9AA 108.9 . . ?
C8A C9A H9AB 108.9 . . ?
H9AA C9A H9AB 107.7 . . ?
O16A C9A C8A 113(4) . . ?
O16A C9A H9AA 108.9 . . ?
O16A C9A H9AB 108.9 . . ?
Sm1 O10 H10 129(4) . . ?
C1 O10 Sm1 121(3) . . ?
C1 O10 H10 109(3) . . ?
C8A C10A H10C 109.9 . . ?
C8A C10A H10D 109.9 . . ?
C8A C10A O17 109(4) . . ?
H10C C10A H10D 108.3 . . ?
O17 C10A H10C 109.9 . . ?
O17 C10A H10D 109.9 . . ?
C8 C10 H10A 111.6 . . ?
C8 C10 H10B 111.6 . . ?
H10A C10 H10B 109.4 . . ?
O17 C10 C8 101(3) . . ?
O17 C10 H10A 111.6 . . ?
O17 C10 H10B 111.6 . . ?
C4 O11 H11 109.5 . . ?
C8 C11 H11A 111.6 . . ?
C8 C11 H11B 111.6 . . ?
H11A C11 H11B 109.4 . . ?
O18 C11 C8 101(4) . . ?
O18 C11 H11A 111.6 . . ?
O18 C11 H11B 111.6 . . ?
C8A C11A H11C 109.7 . . ?
C8A C11A H11D 109.7 . . ?
H11C C11A H11D 108.2 . . ?
O18 C11A C8A 110(4) . . ?
O18 C11A H11C 109.7 . . ?
O18 C11A H11D 109.7 . . ?
Sm2 O12 Sm3 90.0(10) . . ?
C6 O12 Sm2 144(3) . . ?
C6 O12 Sm3 113(3) . . ?
C6 O12 C7 55(2) . . ?
C7 O12 Sm2 139.9(19) . . ?
C7 O12 Sm3 58.4(13) . . ?
C7A C12 C13 167(3) . . ?
C7A C12 O15A 116(2) . . ?
O14A C12 C7A 113(3) . . ?
O14A C12 C13 80(3) . . ?
O14A C12 O15A 129(3) . . ?
O15A C12 C13 51(2) . . ?
O20 C12 O19 135(3) . . ?
N2 O13 C6 111(4) . . ?
C7 O13 N2 61(3) . . ?
C7 O13 C6 64(3) . . ?
N3A C13A H13C 108.7 . . ?
N3A C13A H13D 110.5 . . ?
N3A C13A C18 111(3) . . ?
H13C C13A H13D 108.0 . . ?
C18 C13A H13C 109.2 . . ?
C18 C13A H13D 109.5 . . ?
N3 C13 C12 116(4) . . ?
N3 C13 H13A 108.2 . . ?
N3 C13 H13B 108.2 . . ?
N3 C13 O14A 127(4) . . ?
N3 C13 O15A 71(3) . . ?
C12 C13 H13A 108.2 . . ?
C12 C13 H13B 108.2 . . ?
C12 C13 O14A 41.8(18) . . ?
H13A C13 H13B 107.3 . . ?
O14A C13 H13A 66.5 . . ?
O14A C13 H13B 124.1 . . ?
O15A C13 C12 63(3) . . ?
O15A C13 H13A 167.9 . . ?
O15A C13 H13B 83.9 . . ?
O15A C13 O14A 104(3) . . ?
Sm2 O14 Sm1 89.4(12) . . ?
C6 O14 Sm1 118(3) . . ?
C6 O14 Sm2 135(3) . . ?
Sm4 O14A Sm5 89.6(11) . . ?
C12 O14A Sm4 146(3) . . ?
C12 O14A Sm5 116(3) . . ?
C12 O14A C13 58(2) . . ?
C13 O14A Sm4 139(2) . . ?
C13 O14A Sm5 58.2(18) . . ?
C15A C14A N3A 102(3) . . ?
C16A C14A N3A 103(3) . . ?
C16A C14A C15A 114(4) . . ?
C17A C14A N3A 114(3) . . ?
C17A C14A C15A 109(4) . . ?
C17A C14A C16A 115(5) . . ?
C15 C14 N3 113(4) . . ?
C16 C14 N3 105(4) . . ?
C16 C14 C15 116(5) . . ?
C17 C14 N3 116(5) . . ?
C17 C14 C15 109(5) . . ?
C17 C14 C16 96(3) . . ?
C12 O15A N3 106(3) . . ?
C13 O15A N3 53(3) . . ?
C13 O15A C12 66(3) . . ?
C14A C15A H15C 108.9 . . ?
C14A C15A H15D 108.9 . . ?
C14A C15A O23 113(4) . . ?
H15C C15A H15D 107.7 . . ?
O23 C15A H15C 108.9 . . ?
O23 C15A H15D 108.9 . . ?
C14 C15 H15A 110.2 . . ?
C14 C15 H15B 110.2 . . ?
H15A C15 H15B 108.5 . . ?
O23 C15 C14 107(4) . . ?
O23 C15 H15A 110.2 . . ?
O23 C15 H15B 110.2 . . ?
C9A O16A H16A 109.5 . . ?
C9 O16 H16 109.5 . . ?
C14 C16 H16B 109.6 . . ?
C14 C16 H16C 109.6 . . ?
C14 C16 O22 110(4) . . ?
H16B C16 H16C 108.1 . . ?
O22 C16 H16B 109.6 . . ?
O22 C16 H16C 109.6 . . ?
C14A C16A H16D 108.2 . . ?
C14A C16A H16E 108.2 . . ?
H16D C16A H16E 107.4 . . ?
O22 C16A C14A 116(3) . . ?
O22 C16A H16D 108.2 . . ?
O22 C16A H16E 108.2 . . ?
C10A O17 Sm3 123(2) . . ?
C10 O17 Sm3 126(2) . . ?
C10 O17 C10A 91(2) . . ?
C14 C17 H17A 106.3 . . ?
C14 C17 H17B 106.3 . . ?
H17A C17 H17B 106.4 . . ?
O21 C17 C14 124(5) . . ?
O21 C17 H17A 106.3 . . ?
O21 C17 H17B 106.3 . . ?
C14A C17A H17C 108.5 . . ?
C14A C17A H17D 108.5 . . ?
C14A C17A O21A 115(5) . . ?
H17C C17A H17D 107.5 . . ?
O21A C17A H17C 108.5 . . ?
O21A C17A H17D 108.5 . . ?
C11 O18 Sm3 125(3) . . ?
C11 O18 C11A 93(3) . . ?
C11A O18 Sm3 122(2) . . ?
O19A C18 C13A 115(3) . . ?
C18 O19A Sm6 141(2) . . ?
N3A O20A C18 101(2) . . ?
Sm4 O20 Sm3 89.7(9) . . ?
C12 O20 Sm3 113(3) . . ?
C12 O20 Sm4 141(3) . . ?
C17 O21 H21 109.5 . . ?
C17A O21A H21A 109.5 . . ?
C16 O22 Sm5 120(2) . . ?
C16A O22 Sm5 122.7(19) . . ?
C16A O22 C16 90(3) . . ?
C15A O23 Sm5 118.0(19) . . ?
C15 O23 Sm5 124(2) . . ?
C15 O23 C15A 97(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
Sm1 N1 C3 C1 -60(5) . . . . ?
Sm1 N1 C3 C2 49(6) . . . . ?
Sm1 N1 C3 C4 173(5) . . . . ?
Sm1 N1 C5 C6 -140(4) . . . . ?
N1 C3 C4 O11 74(8) . . . . ?
N1 C5 C6 C7 -70(12) . . . . ?
N1 C5 C6 O12 126(5) . . . . ?
N1 C5 C6 O13 -42(5) . . . . ?
C1 C3 C4 O11 -50(7) . . . . ?
N2A C7A C12 C13 -65(13) . . . . ?
N2A C7A C12 O14A 118(4) . . . . ?
N2A C7A C12 O15A -51(4) . . . . ?
N2A C8A C9A O16A -51(6) . . . . ?
N2A C8A C10A O17 -49(4) . . . . ?
N2A C8A C11A O18 53(5) . . . . ?
N2 C7 O12 Sm2 -46(5) . . . . ?
N2 C7 O12 Sm3 -90(4) . . . . ?
N2 C7 O12 C6 89(4) . . . . ?
N2 C7 O13 C6 -137(4) . . . . ?
N2 C8 C9 O16 -59(4) . . . . ?
N2 C8 C10 O17 67(4) . . . . ?
N2 C8 C11 O18 -68(4) . . . . ?
C2 C3 C4 O11 -161(5) . . . . ?
Sm3 N2A C7A C12 -135(3) . . . . ?
Sm3 N2A C8A C9A -178(3) . . . . ?
Sm3 N2A C8A C10A 64(4) . . . . ?
Sm3 N2A C8A C11A -59(4) . . . . ?
Sm3 N2 C7 C6 135(3) . . . . ?
Sm3 N2 C7 O12 85(3) . . . . ?
Sm3 N2 C7 O13 179(3) . . . . ?
Sm3 N2 C8 C9 178(2) . . . . ?
Sm3 N2 C8 C10 -70(4) . . . . ?
Sm3 N2 C8 C11 74(3) . . . . ?
Sm3 N2 O13 C6 40(5) . . . . ?
Sm3 N2 O13 C7 -1(3) . . . . ?
N3 C13 O14A Sm4 -51(6) . . . . ?
N3 C13 O14A Sm5 -94(5) . . . . ?
N3 C13 O14A C12 90(5) . . . . ?
N3 C13 O15A C12 -134(4) . . . . ?
N3 C14 C15 O23 -54(6) . . . . ?
N3 C14 C16 O22 57(5) . . . . ?
N3 C14 C17 O21 -151(6) . . . . ?
N3A C13A C18 O19A 122(4) . . . . ?
N3A C14A C15A O23 58(5) . . . . ?
N3A C14A C16A O22 -48(5) . . . . ?
N3A C14A C17A O21A -55(6) . . . . ?
C3 N1 C5 C6 137(7) . . . . ?
C3 C1 O10 Sm1 -11(6) . . . . ?
C3 C2 O9 Sm1 1(7) . . . . ?
Sm5 N3 C13 C12 136(4) . . . . ?
Sm5 N3 C13 O14A 87(4) . . . . ?
Sm5 N3 C13 O15A -179(3) . . . . ?
Sm5 N3 C14 C15 61(4) . . . . ?
Sm5 N3 C14 C16 -66(3) . . . . ?
Sm5 N3 C14 C17 -171(4) . . . . ?
Sm5 N3 O15A C12 43(3) . . . . ?
Sm5 N3 O15A C13 1(3) . . . . ?
Sm5 N3A C13A C18 -131(4) . . . . ?
Sm5 N3A C14A C15A -62(3) . . . . ?
Sm5 N3A C14A C16A 57(3) . . . . ?
Sm5 N3A C14A C17A -179(4) . . . . ?
Sm5 N3A O20A C18 -45(3) . . . . ?
C5 N1 C3 C1 6(10) . . . . ?
C5 N1 C3 C2 114(9) . . . . ?
C5 N1 C3 C4 -122(9) . . . . ?
C5 C6 C7 N2 76(12) . . . . ?
C5 C6 C7 O12 -165(12) . . . . ?
C5 C6 C7 O13 32(11) . . . . ?
C5 C6 O12 Sm2 -55(5) . . . . ?
C5 C6 O12 Sm3 178.0(18) . . . . ?
C5 C6 O12 C7 176(3) . . . . ?
C5 C6 O13 N2 148(4) . . . . ?
C5 C6 O13 C7 -172(3) . . . . ?
C6 C7 O12 Sm2 -135(4) . . . . ?
C6 C7 O12 Sm3 -178(2) . . . . ?
C6 C7 O13 N2 137(4) . . . . ?
C7 N2 C8 C9 125(5) . . . . ?
C7 N2 C8 C10 -123(5) . . . . ?
C7 N2 C8 C11 21(6) . . . . ?
C7 N2 O13 C6 41(3) . . . . ?
C7 C6 O12 Sm2 129(4) . . . . ?
C7 C6 O12 Sm3 2(2) . . . . ?
C7 C6 O13 N2 -40(3) . . . . ?
C7A N2A C8A C9A -117(5) . . . . ?
C7A N2A C8A C10A 124(5) . . . . ?
C7A N2A C8A C11A 1(6) . . . . ?
C7A C12 C13 N3 66(14) . . . . ?
C7A C12 C13 O14A -177(13) . . . . ?
C7A C12 C13 O15A 17(13) . . . . ?
C7A C12 O14A Sm4 -48(6) . . . . ?
C7A C12 O14A Sm5 175.6(19) . . . . ?
C7A C12 O14A C13 179(3) . . . . ?
C7A C12 O15A N3 148(3) . . . . ?
C7A C12 O15A C13 -176(3) . . . . ?
C8A N2A C7A C12 142(4) . . . . ?
C8A C10A O17 Sm3 11(5) . . . . ?
C8A C10A O17 C10 -125(4) . . . . ?
C8A C11A O18 Sm3 -20(5) . . . . ?
C8A C11A O18 C11 114(4) . . . . ?
C8 N2 C7 C6 -154(4) . . . . ?
C8 N2 C7 O12 155(4) . . . . ?
C8 N2 C7 O13 -111(6) . . . . ?
C8 N2 O13 C6 155(4) . . . . ?
C8 N2 O13 C7 114(6) . . . . ?
C8 C10 O17 Sm3 -26(5) . . . . ?
C8 C10 O17 C10A 107(4) . . . . ?
C8 C11 O18 Sm3 24(5) . . . . ?
C8 C11 O18 C11A -108(4) . . . . ?
O9 C2 C3 N1 -36(8) . . . . ?
O9 C2 C3 C1 73(6) . . . . ?
O9 C2 C3 C4 -169(5) . . . . ?
C9 C8 C10 O17 175(4) . . . . ?
C9 C8 C11 O18 -172(4) . . . . ?
C9A C8A C10A O17 -169(3) . . . . ?
C9A C8A C11A O18 172(4) . . . . ?
O10 C1 C3 N1 47(6) . . . . ?
O10 C1 C3 C2 -65(6) . . . . ?
O10 C1 C3 C4 -179(5) . . . . ?
C10A C8A C9A O16A 67(6) . . . . ?
C10A C8A C11A O18 -65(6) . . . . ?
C10 C8 C9 O16 -173(4) . . . . ?
C10 C8 C11 O18 64(7) . . . . ?
C11 C8 C9 O16 48(5) . . . . ?
C11 C8 C10 O17 -64(7) . . . . ?
C11A C8A C9A O16A -166(5) . . . . ?
C11A C8A C10A O17 67(5) . . . . ?
O12 C6 C7 N2 -119(4) . . . . ?
O12 C6 C7 O13 -163(4) . . . . ?
O12 C6 O13 N2 -18(6) . . . . ?
O12 C6 O13 C7 22(5) . . . . ?
O12 C7 O13 N2 125(3) . . . . ?
O12 C7 O13 C6 -12(3) . . . . ?
C12 C13 O14A Sm4 -141(5) . . . . ?
C12 C13 O14A Sm5 176(3) . . . . ?
C12 C13 O15A N3 134(4) . . . . ?
O13 N2 C7 C6 -44(4) . . . . ?
O13 N2 C7 O12 -94(4) . . . . ?
O13 N2 C8 C9 57(6) . . . . ?
O13 N2 C8 C10 169(5) . . . . ?
O13 N2 C8 C11 -48(6) . . . . ?
O13 C6 C7 N2 44(4) . . . . ?
O13 C6 C7 O12 163(4) . . . . ?
O13 C6 O12 Sm2 111(5) . . . . ?
O13 C6 O12 Sm3 -16(5) . . . . ?
O13 C6 O12 C7 -17(4) . . . . ?
O13 C7 O12 Sm2 -119(4) . . . . ?
O13 C7 O12 Sm3 -162(3) . . . . ?
O13 C7 O12 C6 16(3) . . . . ?
C13A N3A C14A C15A -4(6) . . . . ?
C13A N3A C14A C16A 114(5) . . . . ?
C13A N3A C14A C17A -121(5) . . . . ?
C13A C18 O19A Sm6 -56(5) . . . . ?
C13 N3 C14 C15 4(7) . . . . ?
C13 N3 C14 C16 -123(5) . . . . ?
C13 N3 C14 C17 131(5) . . . . ?
C13 N3 O15A C12 43(3) . . . . ?
C13 C12 O14A Sm4 132(5) . . . . ?
C13 C12 O14A Sm5 -4(3) . . . . ?
C13 C12 O15A N3 -37(3) . . . . ?
O14A C12 C13 N3 -117(4) . . . . ?
O14A C12 C13 O15A -166(4) . . . . ?
O14A C12 O15A N3 -18(5) . . . . ?
O14A C12 O15A C13 18(5) . . . . ?
O14A C13 O15A N3 125(4) . . . . ?
O14A C13 O15A C12 -10(2) . . . . ?
C14A N3A C13A C18 147(4) . . . . ?
C14A N3A O20A C18 -167(3) . . . . ?
C14A C15A O23 Sm5 -24(5) . . . . ?
C14A C15A O23 C15 110(5) . . . . ?
C14A C16A O22 Sm5 11(5) . . . . ?
C14A C16A O22 C16 -115(4) . . . . ?
C14 N3 C13 C12 -145(4) . . . . ?
C14 N3 C13 O14A 167(4) . . . . ?
C14 N3 C13 O15A -100(5) . . . . ?
C14 N3 O15A C12 158(3) . . . . ?
C14 N3 O15A C13 115(5) . . . . ?
C14 C15 O23 Sm5 15(6) . . . . ?
C14 C15 O23 C15A -115(4) . . . . ?
C14 C16 O22 Sm5 -14(5) . . . . ?
C14 C16 O22 C16A 115(4) . . . . ?
O15 C6 O14 Sm1 -4(5) . . . . ?
O15 C6 O14 Sm2 -124(4) . . . . ?
O15A N3 C13 C12 -45(3) . . . . ?
O15A N3 C13 O14A -93(5) . . . . ?
O15A N3 C14 C15 -60(5) . . . . ?
O15A N3 C14 C16 173(4) . . . . ?
O15A N3 C14 C17 67(6) . . . . ?
O15A C12 C13 N3 49(4) . . . . ?
O15A C12 C13 O14A 166(4) . . . . ?
O15A C12 O14A Sm4 118(5) . . . . ?
O15A C12 O14A Sm5 -18(5) . . . . ?
O15A C12 O14A C13 -14(4) . . . . ?
O15A C13 O14A Sm4 -128(4) . . . . ?
O15A C13 O14A Sm5 -171(4) . . . . ?
O15A C13 O14A C12 13(3) . . . . ?
C15A C14A C16A O22 62(6) . . . . ?
C15A C14A C17A O21A -168(5) . . . . ?
C15 C14 C16 O22 -69(5) . . . . ?
C15 C14 C17 O21 -22(8) . . . . ?
C16 C14 C15 O23 67(5) . . . . ?
C16 C14 C17 O21 98(7) . . . . ?
C16A C14A C15A O23 -52(6) . . . . ?
C16A C14A C17A O21A 63(6) . . . . ?
C17 C14 C15 O23 174(5) . . . . ?
C17 C14 C16 O22 176(4) . . . . ?
C17A C14A C15A O23 179(4) . . . . ?
C17A C14A C16A O22 -172(4) . . . . ?
O19 C12 O20 Sm3 7(5) . . . . ?
O19 C12 O20 Sm4 -113(5) . . . . ?
O20A N3A C14A C15A 64(4) . . . . ?
O20A N3A C14A C16A -178(3) . . . . ?
O20A N3A C14A C17A -53(5) . . . . ?

_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 2.516
_oxdiff_exptl_absorpt_empirical_full_min 0.520
####################################################################### 
# 
# 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_5
_database_code_depnum_ccdc_archive 'CCDC 2141692'
loop_
_audit_author_name
_audit_author_address
'Guo-Ming Wang'
;Qingdao University
China
;
_audit_update_record             
;
2022-01-13 deposited with the CCDC.	2022-10-05 downloaded from the CCDC.
;
_audit_creation_date             2022-01-12
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C60 H160 Cl Ho15 N10 O80, 14(Cl)'
_chemical_formula_sum            'C60 H160 Cl15 Ho15 N10 O80'
_chemical_formula_weight         5307.67
_chemical_melting_point          ?
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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ho Ho -14.9734 3.7046 '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'

_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      orthorhombic
_space_group_IT_number           57
_space_group_name_H-M_alt        'P b c m'
_space_group_name_Hall           '-P 2c 2b'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x, -y+1/2, -z'
'-x, -y, -z'
'x, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x, y-1/2, z'

_cell_length_a                   21.4098(3)
_cell_length_b                   29.7523(4)
_cell_length_c                   24.2371(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     15438.8(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    22368
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      75.5050
_cell_measurement_theta_min      2.9520
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    16.728
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.17492
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.110a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.283
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             9960
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0906
_diffrn_reflns_av_unetI/netI     0.0650
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.942
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            53272
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.942
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.751
_diffrn_reflns_theta_min         2.543
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.942
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     37.00 103.00   0.50    0.36    --  104.12-111.00  23.00  132
  2  ω    121.00 170.00   0.50    0.36    --  104.12  86.00-134.00   98
  3  ω     92.00 170.00   0.50    0.36    --  104.12  39.00  35.00  156
  4  ω     18.00  43.00   0.50    0.09    --   45.82-125.00-180.00   50
  5  ω    -21.00  14.00   0.50    0.09    --  -45.82  19.00-180.00   70
  6  ω    -74.00 -43.00   0.50    0.36    -- -104.00  77.00-180.00   62
  7  ω    -42.00  16.00   0.50    0.09    --  -45.82  39.00  35.00  116
  8  ω    -58.00 -31.00   0.50    0.36    -- -104.00  61.00  30.00   54
  9  ω    -66.00 -41.00   0.50    0.36    -- -104.00  61.00  60.00   50
 10  ω    -69.00 -41.00   0.50    0.36    -- -104.00  61.00  90.00   56
 11  ω   -112.00 -72.00   0.50    0.36    -- -104.00 125.00 150.00   80
 12  ω    -68.00 -31.00   0.50    0.36    -- -104.00 125.00 150.00   74
 13  ω    -88.00 -35.00   0.50    0.09    --  -45.82 -39.00-118.00  106
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0267236000
_diffrn_orient_matrix_UB_12      -0.0448956000
_diffrn_orient_matrix_UB_13      0.0210863000
_diffrn_orient_matrix_UB_21      -0.0234165000
_diffrn_orient_matrix_UB_22      0.0110759000
_diffrn_orient_matrix_UB_23      0.0585660000
_diffrn_orient_matrix_UB_31      -0.0625578000
_diffrn_orient_matrix_UB_32      -0.0232886000
_diffrn_orient_matrix_UB_33      -0.0129451000
_diffrn_oxdiff_digest_frames     
;
011a737294839c89e5268f1be8b2d4ba0e00035dafe
;
_diffrn_oxdiff_digest_hkl        
;
013d446eb6b536e343a3ef0f0368505b5ab992
;
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12348
_reflns_number_total             15720
_reflns_odcompleteness_completeness 99.64
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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 1.171.41.110a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_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    ?
_refine_diff_density_max         4.798
_refine_diff_density_min         -3.423
_refine_diff_density_rms         0.421
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     860
_refine_ls_number_reflns         15720
_refine_ls_number_restraints     128
_refine_ls_R_factor_all          0.1120
_refine_ls_R_factor_gt           0.0955
_refine_ls_restrained_S_all      1.017
_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)+(0.1820P)²+310.0208P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2622
_refine_ls_wR_factor_ref         0.2857
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups, H34 of O34, H35 of O35, H1 of O1, H24 of O24, H20 of O20,
   H8 of O8, H9 of O9, H5 of O5, H17 of O17, H7 of O7, H12 of O12, All N(H)
  groups
 At 1.5 times of:
  All O(H,H) groups, H33 of O33, H32 of O32, H31 of O31, H25 of O25, H28 of
  O28, H23 of O23, H27 of O27, H26 of O26, H29 of O29, H30 of O30, H21 of O21,
  H22 of O22, H11 of O11, H14 of O14
2. Restrained distances
 O11-H11
 0.87 with sigma of 0.01
 O14-H14
 0.87 with sigma of 0.01
 O21-H21
 0.87 with sigma of 0.01
 O25-H25
 0.87 with sigma of 0.01
 O26-H26
 0.87 with sigma of 0.01
 O28-H28
 0.87 with sigma of 0.01
 O29-H29
 0.87 with sigma of 0.01
 H24-O24
 0.9 with sigma of 0.02
 H24-C30
 2 with sigma of 0.02
 O23-H23
 0.87 with sigma of 0.01
 C26-H23
 1.874652 with sigma of 0.02
 C22-H25
 1.865107 with sigma of 0.02
 C25-H21
 1.9019 with sigma of 0.02
 C21-H28
 1.927606 with sigma of 0.02
 C16-H26
 1.914931 with sigma of 0.02
 C23-H29
 1.931584 with sigma of 0.02
 Ho7-H21
 3.008234 with sigma of 0.02
 Ho7-H25
 3.018335 with sigma of 0.02
 C13-H11
 1.894629 with sigma of 0.02
 Ho4-H26
 3.012827 with sigma of 0.02
 Ho5-H11
 3.039455 with sigma of 0.02
 Ho5-H28
 3.038243 with sigma of 0.02
 C11-H14
 1.887024 with sigma of 0.02
 Ho8-H29
 3.062816 with sigma of 0.02
 Ho8-H14
 3.002823 with sigma of 0.02
 Ho4-H23
 3.010038 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C15 \\sim C16 \\sim C24 \\sim C26 \\sim O30: within 1.7A with sigma of 0.001
and sigma for terminal atoms of 0.002
N2 \\sim C17 \\sim C20 \\sim O22 \\sim O24 \\sim C28 \\sim C30 \\sim O33:
within 1.7A with sigma of 0.001 and sigma for terminal atoms of 0.002
C7 \\sim C11 \\sim O14 \\sim C23 \\sim C27 \\sim O29 \\sim O32: within 1.7A
with sigma of 0.001 and sigma for terminal atoms of 0.002
4.a Riding coordinates:
 C26(H26A,H26B)
4.b Rotating group:
 O1W(H1WA,H1WB), O2W(H2WA,H2WB), O3W(H3WA,H3WB), O4W(H4WA,H4WB), O5W(H5WA,H5WB)
4.c Ternary CH refined with riding coordinates:
 O1(H1), N1(H1A), N2(H2), N3(H3), N4(H4), O5(H5), N5(H5A), O7(H7), O8(H8),
 O9(H9), O12(H12), O17(H17), O20(H20), O34(H34), O35(H35)
4.d Secondary CH2 refined with riding coordinates:
 C6(H6A,H6B), C9(H9A,H9B), C10(H10A,H10B), C11(H11A,H11B), C12(H12A,H12B),
 C13(H13A,H13B), C14(H14A,H14B), C16(H16A,H16B), C18(H18A,H18B), C20(H20A,H20B),
  C21(H21A,H21B), C22(H22A,H22B), C23(H23A,H23B), C24(H24A,H24B), C25(H25A,
 H25B), C27(H27A,H27B), C28(H28A,H28B), C29(H29A,H29B), C30(H30A,H30B)
4.e Tetrahedral OH refined with riding coordinates:
 O30(H30)
4.f Idealised tetrahedral OH refined as rotating group:
 O22(H22), O27(H27), O31(H31), O32(H32), O33(H33)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_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
Ho1 Ho 0.59581(5) 0.2500 0.5000 0.0169(2) Uani 1 2 d S T P . .
O1W O 0.8033(4) 0.3631(3) 0.6646(4) 0.0353(19) Uani 1 1 d . . . . .
H1WA H 0.8167 0.3771 0.6957 0.053 Uiso 1 1 d GR . . . .
H1WB H 0.7615 0.3615 0.6698 0.053 Uiso 1 1 d GR . . . .
O1 O 0.7603(4) 0.4180(2) 0.5045(3) 0.0185(14) Uani 1 1 d . . . . .
H1 H 0.7340 0.4457 0.5074 0.022 Uiso 1 1 calc R . . . .
N1 N 0.9397(4) 0.4331(3) 0.5959(4) 0.0260(19) Uani 1 1 d . . . . .
H1A H 0.9600 0.4341 0.5587 0.031 Uiso 1 1 calc R . . . .
C1 C 0.9443(5) 0.1401(4) 0.6141(4) 0.024(2) Uani 1 1 d . . . . .
Ho2 Ho 0.70113(4) 0.35186(2) 0.49995(3) 0.0174(2) Uani 1 1 d . . . . .
O2W O 0.6132(4) 0.1785(3) 0.3351(3) 0.0319(18) Uani 1 1 d . . . . .
H2WA H 0.6417 0.1591 0.3204 0.048 Uiso 1 1 d GR . . . .
H2WB H 0.5852 0.1818 0.3070 0.048 Uiso 1 1 d GR . . . .
O2 O 0.5420(3) 0.2620(3) 0.4111(3) 0.0210(14) Uani 1 1 d . . . . .
N2 N 0.5696(6) 0.4370(4) 0.5991(5) 0.0447(12) Uani 1 1 d . U . . .
H2 H 0.5760 0.4516 0.5624 0.054 Uiso 1 1 calc R . . . .
C2 C 0.9569(5) 0.3526(3) 0.6096(4) 0.021(2) Uani 1 1 d . . . . .
Ho3 Ho 0.86877(3) 0.31298(2) 0.49891(3) 0.0157(2) Uani 1 1 d . . . . .
O3W O 0.6061(5) 0.3205(3) 0.3353(3) 0.038(2) Uani 1 1 d . . . . .
H3WA H 0.5790 0.3167 0.3067 0.057 Uiso 1 1 d GR . . . .
H3WB H 0.6320 0.3424 0.3226 0.057 Uiso 1 1 d GR . . . .
O3 O 0.9231(3) 0.1749(2) 0.5897(3) 0.0217(15) Uani 1 1 d . . . . .
N3 N 0.7388(5) 0.4774(3) 0.3997(4) 0.029(2) Uani 1 1 d . . . . .
H3 H 0.7217 0.4868 0.4363 0.035 Uiso 1 1 calc R . . . .
C3 C 0.6602(6) 0.4203(3) 0.3867(4) 0.026(2) Uani 1 1 d . . . . .
Ho4 Ho 0.82758(4) 0.40777(2) 0.58142(3) 0.0181(2) Uani 1 1 d D . . . .
Cl4 Cl 0.7513(10) 0.2500 0.5000 0.190(9) Uani 1 2 d S T P . .
O4W O 0.7953(4) 0.3669(4) 0.3338(4) 0.043(2) Uani 1 1 d . . . . .
H4WA H 0.7555 0.3700 0.3209 0.064 Uiso 1 1 d GR . . . .
H4WB H 0.8187 0.3772 0.3050 0.064 Uiso 1 1 d GR . . . .
O4 O 0.9037(3) 0.3477(2) 0.5879(3) 0.0228(15) Uani 1 1 d . . . . .
N4 N 0.4420(4) 0.3137(3) 0.4019(4) 0.0256(19) Uani 1 1 d . . . . .
H4 H 0.4247 0.3045 0.4385 0.031 Uiso 1 1 calc R . . . .
C4 C 0.6798(5) 0.4231(3) 0.6124(4) 0.021(2) Uani 1 1 d . . . . .
Ho5 Ho 0.55216(4) 0.34434(3) 0.41870(3) 0.0195(2) Uani 1 1 d D . . . .
O5 O 0.6436(3) 0.3046(2) 0.4448(3) 0.0177(13) Uani 1 1 d . . . . .
H5 H 0.6675 0.2920 0.4129 0.021 Uiso 1 1 calc R . . . .
O5W O 0.9206(5) 0.2498(3) 0.6651(4) 0.038(2) Uani 1 1 d . . . . .
H5WA H 0.9192 0.2230 0.6826 0.058 Uiso 1 1 d GR . . . .
H5WB H 0.9384 0.2679 0.6906 0.058 Uiso 1 1 d GR . . . .
N5 N 1.0452(5) 0.1746(4) 0.6018(4) 0.031(2) Uani 1 1 d . . . . .
H5A H 1.0512 0.1590 0.5656 0.037 Uiso 1 1 calc R . . . .
C5 C 0.4952(5) 0.2439(3) 0.3873(4) 0.019(2) Uani 1 1 d . . . . .
Ho6 Ho 0.56304(4) 0.14627(2) 0.41754(3) 0.0189(2) Uani 1 1 d . . . . .
O6 O 0.6681(3) 0.3851(2) 0.5889(3) 0.0203(14) Uani 1 1 d . . . . .
C6 C 1.0099(6) 0.1438(4) 0.6369(5) 0.033(3) Uani 1 1 d . . . . .
H6A H 1.0087 0.1553 0.6752 0.040 Uiso 1 1 calc R . . . .
H6B H 1.0301 0.1139 0.6372 0.040 Uiso 1 1 calc R . . . .
Ho7 Ho 0.98311(4) 0.24555(3) 0.58190(3) 0.0199(2) Uani 1 1 d D . . . .
O7 O 0.6435(3) 0.3028(2) 0.5550(3) 0.0149(13) Uani 1 1 d . . . . .
H7 H 0.6676 0.2898 0.5865 0.018 Uiso 1 1 calc R . . . .
C7 C 0.7774(8) 0.5146(5) 0.3792(7) 0.0538(13) Uani 1 1 d . U . . .
Ho8 Ho 0.81170(4) 0.41142(2) 0.41723(3) 0.0199(2) Uani 1 1 d D . . . .
O8 O 0.7877(3) 0.3372(2) 0.4442(3) 0.0182(13) Uani 1 1 d . . . . .
H8 H 0.7785 0.3167 0.4125 0.022 Uiso 1 1 calc R . . . .
C8 C 0.4040(5) 0.3527(4) 0.3819(5) 0.031(3) Uani 1 1 d . . . . .
O9 O 0.8774(3) 0.25172(19) 0.5553(3) 0.0159(14) Uani 1 1 d . . . . .
H9 H 0.8478 0.2523 0.5872 0.019 Uiso 1 1 calc R . . . .
C9 C 0.6849(6) 0.4635(4) 0.3653(5) 0.032(3) Uani 1 1 d . . . . .
H9A H 0.6982 0.4599 0.3264 0.038 Uiso 1 1 calc R . . . .
H9B H 0.6519 0.4869 0.3667 0.038 Uiso 1 1 calc R . . . .
O10 O 0.7002(3) 0.3932(2) 0.4107(3) 0.0221(15) Uani 1 1 d . . . . .
C10 C 0.9741(5) 0.3993(4) 0.6291(5) 0.030(2) Uani 1 1 d . . . . .
H10A H 0.9632 0.4026 0.6686 0.036 Uiso 1 1 calc R . . . .
H10B H 1.0196 0.4040 0.6251 0.036 Uiso 1 1 calc R . . . .
O11 O 0.4711(4) 0.3943(3) 0.4475(4) 0.0297(17) Uani 1 1 d D . . . .
H11 H 0.4686(16) 0.411(3) 0.477(3) 0.045 Uiso 1 1 d DR . . . .
C11 C 0.8257(8) 0.5233(5) 0.4246(7) 0.0524(13) Uani 1 1 d D U . . .
H11A H 0.8585 0.5437 0.4104 0.063 Uiso 1 1 calc R . . . .
H11B H 0.8051 0.5383 0.4562 0.063 Uiso 1 1 calc R . . . .
O12 O 0.5990(3) 0.3814(2) 0.4948(2) 0.0161(14) Uani 1 1 d . . . . .
H12 H 0.5978 0.4149 0.4919 0.019 Uiso 1 1 calc R . . . .
C12 C 0.6242(6) 0.4488(4) 0.6337(5) 0.033(3) Uani 1 1 d . . . . .
H12A H 0.6160 0.4407 0.6726 0.040 Uiso 1 1 calc R . . . .
H12B H 0.6323 0.4815 0.6317 0.040 Uiso 1 1 calc R . . . .
O13 O 0.9956(3) 0.3208(3) 0.6160(3) 0.0269(16) Uani 1 1 d . . . . .
C13 C 0.4084(6) 0.3873(4) 0.4284(6) 0.034(3) Uani 1 1 d D . . . .
H13A H 0.3912 0.4162 0.4152 0.041 Uiso 1 1 calc R . . . .
H13B H 0.3823 0.3771 0.4598 0.041 Uiso 1 1 calc R . . . .
O14 O 0.8536(5) 0.4824(3) 0.4427(5) 0.0514(14) Uani 1 1 d D U . . .
H14 H 0.8933(13) 0.4884(8) 0.448(4) 0.077 Uiso 1 1 d DR . . . .
C14 C 0.4434(5) 0.2735(4) 0.3668(5) 0.030(2) Uani 1 1 d . . . . .
H14A H 0.4510 0.2820 0.3279 0.035 Uiso 1 1 calc R . . . .
H14B H 0.4030 0.2574 0.3689 0.035 Uiso 1 1 calc R . . . .
O15 O 0.6040(3) 0.4101(2) 0.3822(3) 0.0240(15) Uani 1 1 d . . . . .
C15 C 0.9357(7) 0.4798(5) 0.6161(6) 0.0460(15) Uani 1 1 d . U . . .
O16 O 0.4923(3) 0.2017(2) 0.3804(3) 0.0250(15) Uani 1 1 d . . . . .
C16 C 0.9020(7) 0.4795(5) 0.6715(6) 0.0455(16) Uani 1 1 d D U . . .
H16A H 0.9304 0.4694 0.7013 0.055 Uiso 1 1 calc R . . . .
H16B H 0.8864 0.5099 0.6807 0.055 Uiso 1 1 calc R . . . .
O17 O 0.5277(3) 0.1884(3) 0.4934(3) 0.0188(14) Uani 1 1 d . . . . .
H17 H 0.4829 0.1975 0.4901 0.023 Uiso 1 1 calc R . . . .
C17 C 0.5068(7) 0.4515(5) 0.6194(6) 0.0456(11) Uani 1 1 d . U . . .
O18 O 0.9132(4) 0.1043(2) 0.6202(3) 0.0270(16) Uani 1 1 d . . . . .
C18 C 0.3359(6) 0.3406(5) 0.3717(7) 0.046(3) Uani 1 1 d . . . . .
H18A H 0.3122 0.3684 0.3639 0.056 Uiso 1 1 calc R . . . .
H18B H 0.3333 0.3211 0.3387 0.056 Uiso 1 1 calc R . . . .
O19 O 0.7335(4) 0.4385(2) 0.6188(3) 0.0270(16) Uani 1 1 d . . . . .
C19 C 1.1073(6) 0.1890(5) 0.6201(6) 0.040(3) Uani 1 1 d . . . . .
O20 O 0.9753(3) 0.2934(2) 0.5050(3) 0.0178(14) Uani 1 1 d . . . . .
H20 H 1.0035 0.3201 0.5074 0.021 Uiso 1 1 calc R . . . .
C20 C 0.4620(7) 0.4390(5) 0.5733(6) 0.0454(11) Uani 1 1 d . U . . .
H20A H 0.4185 0.4433 0.5861 0.054 Uiso 1 1 calc R . . . .
H20B H 0.4690 0.4590 0.5413 0.054 Uiso 1 1 calc R . . . .
O21 O 1.0885(4) 0.2495(3) 0.5541(4) 0.040(2) Uani 1 1 d D . . . .
H21 H 1.1059(19) 0.264(4) 0.527(4) 0.060 Uiso 1 1 d DR . . . .
C21 C 0.4322(6) 0.3712(5) 0.3298(5) 0.040(3) Uani 1 1 d D . . . .
H21A H 0.4221 0.3515 0.2981 0.048 Uiso 1 1 calc R . . . .
H21B H 0.4155 0.4016 0.3221 0.048 Uiso 1 1 calc R . . . .
O22 O 0.4705(5) 0.3942(3) 0.5571(4) 0.0451(12) Uani 1 1 d . U . . .
H22 H 0.4776 0.3931 0.5231 0.068 Uiso 1 1 calc GR . . . .
C22 C 1.0982(7) 0.2168(5) 0.6733(6) 0.045(3) Uani 1 1 d D . . . .
H22A H 1.0872 0.1968 0.7046 0.054 Uiso 1 1 calc R . . . .
H22B H 1.1371 0.2331 0.6827 0.054 Uiso 1 1 calc R . . . .
O23 O 0.8447(6) 0.4846(3) 0.5586(4) 0.055(3) Uani 1 1 d D . . . .
H23 H 0.8168(11) 0.5060(7) 0.556(4) 0.083 Uiso 1 1 d DR . . . .
C23 C 0.8080(8) 0.5003(4) 0.3271(7) 0.0544(14) Uani 1 1 d D U . . .
H23A H 0.7770 0.4990 0.2969 0.065 Uiso 1 1 calc R . . . .
H23B H 0.8410 0.5220 0.3167 0.065 Uiso 1 1 calc R . . . .
O24 O 0.5142(5) 0.3826(3) 0.6653(4) 0.0452(12) Uani 1 1 d D U . . .
H24 H 0.483(2) 0.3617(11) 0.664(7) 0.054 Uiso 1 1 d DR . . . .
C24 C 1.0010(7) 0.5020(5) 0.6250(7) 0.0471(15) Uani 1 1 d . U . . .
H24A H 0.9970 0.5304 0.6460 0.056 Uiso 1 1 calc R . . . .
H24B H 1.0294 0.4815 0.6451 0.056 Uiso 1 1 calc R . . . .
O25 O 1.0498(6) 0.2471(3) 0.6629(4) 0.058(3) Uani 1 1 d D . . . .
H25 H 1.057(4) 0.2710(15) 0.683(3) 0.086 Uiso 1 1 d DR . . . .
C25 C 1.1335(5) 0.2177(5) 0.5742(6) 0.040(3) Uani 1 1 d D . . . .
H25A H 1.1706 0.2340 0.5879 0.048 Uiso 1 1 calc R . . . .
H25B H 1.1470 0.1980 0.5435 0.048 Uiso 1 1 calc R . . . .
O26 O 0.8513(4) 0.4488(3) 0.6653(3) 0.037(2) Uani 1 1 d D . . . .
H26 H 0.836(4) 0.442(3) 0.6975(10) 0.056 Uiso 1 1 d DR . . . .
C26 C 0.9017(7) 0.5054(5) 0.5719(6) 0.0460(16) Uani 1 1 d D U . . .
H26A H 0.8936 0.5363 0.5852 0.055 Uiso 1 1 d R . . . .
H26B H 0.9281 0.5074 0.5385 0.055 Uiso 1 1 d R . . . .
O27 O 0.3074(5) 0.3179(5) 0.4173(6) 0.069(4) Uani 1 1 d . . . . .
H27 H 0.2770 0.3027 0.4061 0.104 Uiso 1 1 calc GR . . . .
C27 C 0.7405(9) 0.5585(5) 0.3677(7) 0.0552(14) Uani 1 1 d . U . . .
H27A H 0.7695 0.5822 0.3547 0.066 Uiso 1 1 calc R . . A 1
H27B H 0.7090 0.5531 0.3386 0.066 Uiso 1 1 calc R . . A 1
O28 O 0.4983(5) 0.3731(6) 0.3381(4) 0.076(4) Uani 1 1 d D . . . .
H28 H 0.5154(18) 0.389(6) 0.311(5) 0.114 Uiso 1 1 d DR . . . .
C28 C 0.5048(7) 0.5031(4) 0.6300(7) 0.0476(12) Uani 1 1 d . U . . .
H28A H 0.5441 0.5123 0.6482 0.057 Uiso 1 1 calc R . . . .
H28B H 0.5026 0.5189 0.5940 0.057 Uiso 1 1 calc R . . . .
O29 O 0.8346(6) 0.4568(3) 0.3361(5) 0.0551(14) Uani 1 1 d D U . . .
H29 H 0.860(7) 0.450(3) 0.309(4) 0.083 Uiso 1 1 d DR . . . .
C29 C 1.1518(7) 0.1505(6) 0.6335(8) 0.063(5) Uani 1 1 d . . . . .
H29A H 1.1556 0.1316 0.6001 0.075 Uiso 1 1 calc R . . . .
H29B H 1.1935 0.1636 0.6407 0.075 Uiso 1 1 calc R . . . .
O30 O 1.0237(5) 0.5105(4) 0.5695(5) 0.0522(17) Uani 1 1 d . U . . .
H30 H 1.0293 0.4859 0.5532 0.078 Uiso 1 1 calc R . . . .
C30 C 0.4931(7) 0.4280(5) 0.6724(6) 0.0453(11) Uani 1 1 d D U . . .
H30A H 0.5155 0.4426 0.7033 0.054 Uiso 1 1 calc R . . . .
H30B H 0.4477 0.4287 0.6803 0.054 Uiso 1 1 calc R . . . .
O31 O 1.1372(7) 0.1226(6) 0.6772(7) 0.094(5) Uani 1 1 d . . . . .
H31 H 1.1697 0.1095 0.6881 0.141 Uiso 1 1 calc GR . . . .
O32 O 0.7096(6) 0.5732(4) 0.4182(5) 0.0615(16) Uani 1 1 d . U . B 1
H32 H 0.6946 0.5990 0.4134 0.092 Uiso 1 1 calc GR . . B 1
O33 O 0.4553(5) 0.5167(4) 0.6620(5) 0.0546(15) Uani 1 1 d . U . . .
H33 H 0.4572 0.5446 0.6669 0.082 Uiso 1 1 calc GR . . . .
O34 O 0.7863(3) 0.3377(2) 0.5542(3) 0.0169(13) Uani 1 1 d . . . . .
H34 H 0.7771 0.3172 0.5859 0.020 Uiso 1 1 calc R . . . .
O35 O 0.8745(3) 0.3922(2) 0.4929(3) 0.0176(14) Uani 1 1 d . . . . .
H35 H 0.9182 0.4037 0.4897 0.021 Uiso 1 1 calc R . . . .
Cl9 Cl 0.4657(9) 0.3338(4) 0.7500 0.159(6) Uani 1 2 d S T P . .
Cl7 Cl 0.6421(2) 0.48769(12) 0.50160(15) 0.0518(9) Uani 1 1 d . . . . .
Cl1 Cl 0.6851(2) 0.37988(18) 0.2500 0.0449(10) Uani 1 2 d S T P . .
Cl11 Cl 0.5540(2) 0.25009(12) 0.7500 0.0335(9) Uani 1 2 d S T P . .
Cl2 Cl 0.7489(4) 0.2498(2) 0.3698(3) 0.102(2) Uani 1 1 d . . . . .
Cl8 Cl 0.6902(2) 0.37800(14) 0.7500 0.0357(9) Uani 1 2 d S T P . .
Cl3 Cl 0.4012(5) 0.2500 0.5000 0.216(12) Uani 1 2 d S T P . .
Cl10 Cl 0.9034(3) 0.3312(2) 0.7500 0.0518(12) Uani 1 2 d S T P . .
Cl5 Cl 0.8967(2) 0.32789(16) 0.2500 0.0420(10) Uani 1 2 d S T P . .
Cl12 Cl 0.7701(6) 0.4645(5) 0.7500 0.136(4) Uani 1 2 d S T P . .
Cl6 Cl 1.02663(18) 0.10130(13) 0.50452(14) 0.0493(9) Uani 1 1 d . . . . .


_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
Ho1 O2 2.470(8) 4_556 ?
Ho1 O2 2.470(8) . ?
Ho1 Ho5 3.5544(8) . ?
Ho1 Ho5 3.5543(8) 4_556 ?
Ho1 O5 2.341(7) . ?
Ho1 O5 2.341(7) 4_556 ?
Ho1 Ho6 3.7430(7) . ?
Ho1 Ho6 3.7430(7) 4_556 ?
Ho1 O7 2.300(6) 4_556 ?
Ho1 O7 2.300(6) . ?
Ho1 O17 2.347(7) . ?
Ho1 O17 2.347(7) 4_556 ?
O1W H1WA 0.9079 . ?
O1W H1WB 0.9042 . ?
O1W Ho4 2.470(9) . ?
O1 H1 1.0000 . ?
O1 Ho2 2.343(8) . ?
O1 Ho4 2.376(7) . ?
O1 Ho8 2.391(6) . ?
N1 H1A 1.0000 . ?
N1 Ho4 2.540(8) . ?
N1 C10 1.484(15) . ?
N1 C15 1.476(16) . ?
C1 O3 1.274(13) . ?
C1 C6 1.514(16) . ?
C1 O18 1.266(14) . ?
Ho2 Ho4 3.7410(10) . ?
Ho2 Cl4 3.216(7) . ?
Ho2 O5 2.299(6) . ?
Ho2 Ho6 3.5695(11) 4_556 ?
Ho2 O6 2.475(7) . ?
Ho2 O7 2.330(6) . ?
Ho2 Ho8 3.5725(11) . ?
Ho2 O8 2.336(7) . ?
Ho2 O10 2.489(7) . ?
Ho2 O12 2.360(7) . ?
Ho2 O34 2.288(7) . ?
O2W H2WA 0.9121 . ?
O2W H2WB 0.9138 . ?
O2W Ho6 2.463(8) . ?
O2 Ho5 2.465(7) . ?
O2 C5 1.276(13) . ?
N2 H2 1.0000 . ?
N2 Ho6 2.516(12) 4_556 ?
N2 C12 1.479(18) . ?
N2 C17 1.494(18) . ?
C2 O4 1.264(12) . ?
C2 C10 1.512(14) . ?
C2 O13 1.268(13) . ?
Ho3 O3 2.469(7) 4_556 ?
Ho3 Ho4 3.5679(10) . ?
Ho3 Cl4 3.136(17) . ?
Ho3 O4 2.505(7) . ?
Ho3 Ho7 3.5863(10) 4_556 ?
Ho3 Ho8 3.7402(10) . ?
Ho3 O8 2.299(7) . ?
Ho3 O9 2.285(6) . ?
Ho3 O9 2.337(7) 4_556 ?
Ho3 O20 2.358(7) . ?
Ho3 O34 2.336(7) . ?
Ho3 O35 2.364(7) . ?
O3W H3WA 0.9086 . ?
O3W H3WB 0.9096 . ?
O3W Ho5 2.435(9) . ?
O3 Ho3 2.469(7) 4_556 ?
O3 Ho7 2.471(7) . ?
N3 H3 1.0000 . ?
N3 C7 1.468(17) . ?
N3 Ho8 2.543(9) . ?
N3 C9 1.482(16) . ?
C3 C9 1.486(15) . ?
C3 O10 1.311(13) . ?
C3 O15 1.247(15) . ?
Ho4 O4 2.424(8) . ?
Ho4 O19 2.390(8) . ?
Ho4 O23 2.380(8) . ?
Ho4 O26 2.425(8) . ?
Ho4 O34 2.359(6) . ?
Ho4 O35 2.414(7) . ?
Cl4 Ho2 3.216(7) 4_556 ?
Cl4 Ho3 3.136(17) 4_556 ?
O4W H4WA 0.9113 . ?
O4W H4WB 0.9131 . ?
O4W Ho8 2.442(8) . ?
N4 H4 1.0000 . ?
N4 Ho5 2.560(9) . ?
N4 C8 1.498(14) . ?
N4 C14 1.469(15) . ?
C4 O6 1.290(12) . ?
C4 C12 1.506(15) . ?
C4 O19 1.247(13) . ?
Ho5 O5 2.372(7) . ?
Ho5 O11 2.390(8) . ?
Ho5 O12 2.371(7) . ?
Ho5 O15 2.416(7) . ?
Ho5 O17 2.400(7) 4_556 ?
Ho5 O28 2.425(10) . ?
O5 H5 1.0000 . ?
O5W H5WA 0.9039 . ?
O5W H5WB 0.9035 . ?
O5W Ho7 2.423(9) . ?
N5 H5A 1.0000 . ?
N5 C6 1.461(16) . ?
N5 Ho7 2.540(10) . ?
N5 C19 1.465(16) . ?
C5 C14 1.501(15) . ?
C5 O16 1.268(12) . ?
Ho6 Ho2 3.5696(11) 4_556 ?
Ho6 N2 2.516(12) 4_556 ?
Ho6 O6 2.440(7) 4_556 ?
Ho6 O7 2.388(6) 4_556 ?
Ho6 O12 2.404(6) 4_556 ?
Ho6 O16 2.413(8) . ?
Ho6 O17 2.352(7) . ?
Ho6 O22 2.398(10) 4_556 ?
Ho6 O24 2.422(9) 4_556 ?
O6 Ho6 2.440(7) 4_556 ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
Ho7 Ho3 3.5863(10) 4_556 ?
Ho7 Ho7 3.9791(15) 4_556 ?
Ho7 O9 2.360(7) . ?
Ho7 O13 2.400(8) . ?
Ho7 O20 2.352(7) . ?
Ho7 O20 2.409(7) 4_556 ?
Ho7 O21 2.357(9) . ?
Ho7 O25 2.428(10) . ?
O7 Ho6 2.388(6) 4_556 ?
O7 H7 1.0000 . ?
C7 C11 1.53(3) . ?
C7 C23 1.49(2) . ?
C7 C27 1.552(19) . ?
Ho8 O8 2.359(7) . ?
Ho8 O10 2.452(7) . ?
Ho8 O14 2.376(11) . ?
Ho8 O18 2.401(8) 4_556 ?
Ho8 O29 2.435(10) . ?
Ho8 O35 2.345(7) . ?
O8 H8 1.0000 . ?
C8 C13 1.528(17) . ?
C8 C18 1.523(16) . ?
C8 C21 1.505(18) . ?
O9 Ho3 2.338(7) 4_556 ?
O9 H9 1.0000 . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
O11 H11 0.875(10) . ?
O11 C13 1.434(14) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 O14 1.427(16) . ?
O12 Ho6 2.404(6) 4_556 ?
O12 H12 1.0000 . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
O14 H14 0.877(10) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.53(2) . ?
C15 C24 1.561(19) . ?
C15 C26 1.50(2) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 O26 1.424(14) . ?
O17 Ho5 2.400(7) 4_556 ?
O17 H17 1.0000 . ?
C17 C20 1.52(2) . ?
C17 C28 1.558(18) . ?
C17 C30 1.492(19) . ?
O18 Ho8 2.401(8) 4_556 ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 O27 1.43(2) . ?
C19 C22 1.544(19) . ?
C19 C25 1.51(2) . ?
C19 C29 1.524(19) . ?
O20 Ho7 2.409(7) 4_556 ?
O20 H20 1.0000 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 O22 1.402(16) . ?
O21 H21 0.874(10) . ?
O21 C25 1.437(15) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 O28 1.431(15) . ?
O22 Ho6 2.398(10) 4_556 ?
O22 H22 0.8400 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 O25 1.397(16) . ?
O23 H23 0.876(10) . ?
O23 C26 1.404(17) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 O29 1.432(15) . ?
O24 Ho6 2.422(9) 4_556 ?
O24 H24 0.90(2) . ?
O24 C30 1.435(15) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 O30 1.451(19) . ?
O25 H25 0.873(10) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
O26 H26 0.872(10) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
O27 H27 0.8400 . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C27 O32 1.46(2) . ?
O28 H28 0.877(10) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C28 O33 1.373(17) . ?
O29 H29 0.878(10) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C29 O31 1.38(2) . ?
O30 H30 0.8400 . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
O31 H31 0.8400 . ?
O32 H32 0.8400 . ?
O33 H33 0.8400 . ?
O34 H34 1.0000 . ?
O35 H35 1.0000 . ?

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
O2 Ho1 O2 124.4(3) 4_556 . ?
O2 Ho1 Ho5 118.41(17) 4_556 . ?
O2 Ho1 Ho5 43.86(17) . . ?
O2 Ho1 Ho5 43.87(17) 4_556 4_556 ?
O2 Ho1 Ho5 118.41(17) . 4_556 ?
O2 Ho1 Ho6 105.01(17) . 4_556 ?
O2 Ho1 Ho6 64.30(17) . . ?
O2 Ho1 Ho6 105.01(17) 4_556 . ?
O2 Ho1 Ho6 64.30(17) 4_556 4_556 ?
Ho5 Ho1 Ho5 149.51(4) 4_556 . ?
Ho5 Ho1 Ho6 107.80(2) . . ?
Ho5 Ho1 Ho6 66.151(18) . 4_556 ?
Ho5 Ho1 Ho6 107.80(2) 4_556 4_556 ?
Ho5 Ho1 Ho6 66.151(18) 4_556 . ?
O5 Ho1 O2 143.5(2) . 4_556 ?
O5 Ho1 O2 66.6(2) . . ?
O5 Ho1 O2 143.5(2) 4_556 . ?
O5 Ho1 O2 66.6(2) 4_556 4_556 ?
O5 Ho1 Ho5 41.36(17) . . ?
O5 Ho1 Ho5 168.58(17) 4_556 . ?
O5 Ho1 Ho5 168.58(17) . 4_556 ?
O5 Ho1 Ho5 41.36(17) 4_556 4_556 ?
O5 Ho1 O5 128.2(3) 4_556 . ?
O5 Ho1 Ho6 110.42(16) . . ?
O5 Ho1 Ho6 79.33(17) 4_556 . ?
O5 Ho1 Ho6 110.42(16) 4_556 4_556 ?
O5 Ho1 Ho6 79.33(16) . 4_556 ?
O5 Ho1 O17 140.8(2) . . ?
O5 Ho1 O17 76.6(2) 4_556 . ?
O5 Ho1 O17 76.6(2) . 4_556 ?
O5 Ho1 O17 140.8(2) 4_556 4_556 ?
Ho6 Ho1 Ho6 158.40(4) 4_556 . ?
O7 Ho1 O2 127.8(2) 4_556 4_556 ?
O7 Ho1 O2 127.8(2) . . ?
O7 Ho1 O2 78.5(2) 4_556 . ?
O7 Ho1 O2 78.5(2) . 4_556 ?
O7 Ho1 Ho5 84.16(16) . . ?
O7 Ho1 Ho5 84.16(16) 4_556 4_556 ?
O7 Ho1 Ho5 109.59(16) 4_556 . ?
O7 Ho1 Ho5 109.59(16) . 4_556 ?
O7 Ho1 O5 87.1(2) . 4_556 ?
O7 Ho1 O5 87.1(2) 4_556 . ?
O7 Ho1 O5 70.3(3) . . ?
O7 Ho1 O5 70.3(2) 4_556 4_556 ?
O7 Ho1 Ho6 37.83(16) . 4_556 ?
O7 Ho1 Ho6 37.84(16) 4_556 . ?
O7 Ho1 Ho6 162.97(16) 4_556 4_556 ?
O7 Ho1 Ho6 162.97(16) . . ?
O7 Ho1 O7 127.3(3) . 4_556 ?
O7 Ho1 O17 148.1(2) . . ?
O7 Ho1 O17 72.7(2) 4_556 . ?
O7 Ho1 O17 72.7(2) . 4_556 ?
O7 Ho1 O17 148.1(2) 4_556 4_556 ?
O17 Ho1 O2 69.9(2) . 4_556 ?
O17 Ho1 O2 69.9(2) 4_556 . ?
O17 Ho1 O2 76.4(2) . . ?
O17 Ho1 O2 76.4(2) 4_556 4_556 ?
O17 Ho1 Ho5 114.54(18) . . ?
O17 Ho1 Ho5 42.09(17) 4_556 . ?
O17 Ho1 Ho5 42.09(17) . 4_556 ?
O17 Ho1 Ho5 114.54(18) 4_556 4_556 ?
O17 Ho1 Ho6 124.28(17) 4_556 . ?
O17 Ho1 Ho6 37.24(16) . . ?
O17 Ho1 Ho6 124.28(17) . 4_556 ?
O17 Ho1 Ho6 37.24(16) 4_556 4_556 ?
O17 Ho1 O17 103.1(4) 4_556 . ?
H1WA O1W H1WB 102.9 . . ?
Ho4 O1W H1WA 111.3 . . ?
Ho4 O1W H1WB 110.5 . . ?
Ho2 O1 H1 113.0 . . ?
Ho2 O1 Ho4 104.9(3) . . ?
Ho2 O1 Ho8 98.0(2) . . ?
Ho4 O1 H1 113.0 . . ?
Ho4 O1 Ho8 113.9(3) . . ?
Ho8 O1 H1 113.0 . . ?
Ho4 N1 H1A 107.1 . . ?
C10 N1 H1A 107.1 . . ?
C10 N1 Ho4 110.0(6) . . ?
C15 N1 H1A 107.1 . . ?
C15 N1 Ho4 105.7(8) . . ?
C15 N1 C10 119.1(10) . . ?
O3 C1 C6 116.2(10) . . ?
O18 C1 O3 123.4(10) . . ?
O18 C1 C6 120.4(10) . . ?
O1 Ho2 Ho4 37.86(16) . . ?
O1 Ho2 Cl4 127.6(4) . . ?
O1 Ho2 Ho6 114.13(17) . 4_556 ?
O1 Ho2 O6 77.2(2) . . ?
O1 Ho2 Ho8 41.52(15) . . ?
O1 Ho2 O10 68.3(2) . . ?
O1 Ho2 O12 101.0(2) . . ?
Cl4 Ho2 Ho4 100.2(3) . . ?
Cl4 Ho2 Ho6 106.9(3) . 4_556 ?
Cl4 Ho2 Ho8 104.2(3) . . ?
O5 Ho2 O1 146.2(2) . . ?
O5 Ho2 Ho4 165.25(17) . . ?
O5 Ho2 Cl4 66.6(3) . . ?
O5 Ho2 Ho6 83.77(17) . 4_556 ?
O5 Ho2 O6 126.7(2) . . ?
O5 Ho2 O7 70.5(3) . . ?
O5 Ho2 Ho8 109.39(17) . . ?
O5 Ho2 O8 88.6(2) . . ?
O5 Ho2 O10 78.0(2) . . ?
O5 Ho2 O12 72.5(2) . . ?
Ho6 Ho2 Ho4 107.27(2) 4_556 . ?
Ho6 Ho2 Ho8 148.81(3) 4_556 . ?
O6 Ho2 Ho4 64.51(17) . . ?
O6 Ho2 Cl4 118.19(17) . . ?
O6 Ho2 Ho6 43.04(17) . 4_556 ?
O6 Ho2 Ho8 118.67(17) . . ?
O6 Ho2 O10 123.8(2) . . ?
O7 Ho2 O1 141.8(2) . . ?
O7 Ho2 Ho4 111.07(16) . . ?
O7 Ho2 Cl4 65.6(3) . . ?
O7 Ho2 Ho6 41.45(16) . 4_556 ?
O7 Ho2 O6 66.5(2) . . ?
O7 Ho2 Ho8 169.31(16) . . ?
O7 Ho2 O8 129.4(2) . . ?
O7 Ho2 O10 143.4(2) . . ?
O7 Ho2 O12 76.8(2) . . ?
Ho8 Ho2 Ho4 66.18(2) . . ?
O8 Ho2 O1 75.8(2) . . ?
O8 Ho2 Ho4 79.26(16) . . ?
O8 Ho2 Cl4 63.8(3) . . ?
O8 Ho2 Ho6 169.93(16) . 4_556 ?
O8 Ho2 O6 143.7(2) . . ?
O8 Ho2 Ho8 40.70(16) . . ?
O8 Ho2 O10 66.1(2) . . ?
O8 Ho2 O12 140.8(2) . . ?
O10 Ho2 Ho4 104.15(17) . . ?
O10 Ho2 Cl4 117.95(18) . . ?
O10 Ho2 Ho6 118.22(16) . 4_556 ?
O10 Ho2 Ho8 43.29(17) . . ?
O12 Ho2 Ho4 122.22(17) . . ?
O12 Ho2 Cl4 131.3(4) . . ?
O12 Ho2 Ho6 41.93(15) . 4_556 ?
O12 Ho2 O6 68.4(2) . . ?
O12 Ho2 Ho8 113.60(17) . . ?
O12 Ho2 O10 76.3(2) . . ?
O34 Ho2 O1 72.4(2) . . ?
O34 Ho2 Ho4 37.04(16) . . ?
O34 Ho2 Cl4 63.9(3) . . ?
O34 Ho2 O5 130.5(2) . . ?
O34 Ho2 Ho6 109.93(17) . 4_556 ?
O34 Ho2 O6 78.5(2) . . ?
O34 Ho2 O7 88.7(2) . . ?
O34 Ho2 Ho8 83.46(16) . . ?
O34 Ho2 O8 70.4(3) . . ?
O34 Ho2 O10 126.7(2) . . ?
O34 Ho2 O12 146.9(2) . . ?
H2WA O2W H2WB 102.4 . . ?
Ho6 O2W H2WA 111.2 . . ?
Ho6 O2W H2WB 111.2 . . ?
Ho5 O2 Ho1 92.2(2) . . ?
C5 O2 Ho1 134.4(7) . . ?
C5 O2 Ho5 121.6(7) . . ?
Ho6 N2 H2 107.0 4_556 . ?
C12 N2 H2 107.0 . . ?
C12 N2 Ho6 111.5(7) . 4_556 ?
C12 N2 C17 117.2(11) . . ?
C17 N2 H2 107.0 . . ?
C17 N2 Ho6 106.7(9) . 4_556 ?
O4 C2 C10 117.1(9) . . ?
O4 C2 O13 123.5(9) . . ?
O13 C2 C10 119.3(9) . . ?
O3 Ho3 Ho4 119.22(16) 4_556 . ?
O3 Ho3 Cl4 118.20(17) 4_556 . ?
O3 Ho3 O4 123.2(2) 4_556 . ?
O3 Ho3 Ho7 43.48(17) 4_556 4_556 ?
O3 Ho3 Ho8 65.10(17) 4_556 . ?
Ho4 Ho3 Ho7 149.16(3) . 4_556 ?
Ho4 Ho3 Ho8 66.23(2) . . ?
Cl4 Ho3 Ho4 105.63(18) . . ?
Cl4 Ho3 Ho7 105.17(19) . 4_556 ?
Cl4 Ho3 Ho8 102.15(19) . . ?
O4 Ho3 Ho4 42.73(18) . . ?
O4 Ho3 Cl4 118.58(17) . . ?
O4 Ho3 Ho7 117.81(18) . 4_556 ?
O4 Ho3 Ho8 103.31(17) . . ?
Ho7 Ho3 Ho8 108.31(2) 4_556 . ?
O8 Ho3 O3 78.9(3) . 4_556 ?
O8 Ho3 Ho4 83.63(16) . . ?
O8 Ho3 Cl4 65.6(2) . . ?
O8 Ho3 O4 126.3(2) . . ?
O8 Ho3 Ho7 110.62(17) . 4_556 ?
O8 Ho3 Ho8 37.14(17) . . ?
O8 Ho3 O9 89.7(2) . 4_556 ?
O8 Ho3 O20 147.4(2) . . ?
O8 Ho3 O34 70.2(3) . . ?
O8 Ho3 O35 72.0(2) . . ?
O9 Ho3 O3 126.8(2) . 4_556 ?
O9 Ho3 O3 66.1(2) 4_556 4_556 ?
O9 Ho3 Ho4 108.40(18) . . ?
O9 Ho3 Ho4 170.19(17) 4_556 . ?
O9 Ho3 Cl4 64.9(2) 4_556 . ?
O9 Ho3 Cl4 65.4(2) . . ?
O9 Ho3 O4 143.1(2) 4_556 . ?
O9 Ho3 O4 77.9(2) . . ?
O9 Ho3 Ho7 83.32(18) . 4_556 ?
O9 Ho3 Ho7 40.46(17) 4_556 4_556 ?
O9 Ho3 Ho8 111.93(16) 4_556 . ?
O9 Ho3 Ho8 165.34(18) . . ?
O9 Ho3 O8 131.0(2) . . ?
O9 Ho3 O9 70.9(3) . 4_556 ?
O9 Ho3 O20 75.8(2) 4_556 . ?
O9 Ho3 O20 71.8(2) . . ?
O9 Ho3 O34 88.2(2) . . ?
O9 Ho3 O35 141.5(2) 4_556 . ?
O9 Ho3 O35 145.9(2) . . ?
O20 Ho3 O3 68.6(2) . 4_556 ?
O20 Ho3 Ho4 113.55(17) . . ?
O20 Ho3 Cl4 128.8(3) . . ?
O20 Ho3 O4 76.1(2) . . ?
O20 Ho3 Ho7 41.75(16) . 4_556 ?
O20 Ho3 Ho8 122.84(17) . . ?
O20 Ho3 O35 101.5(3) . . ?
O34 Ho3 O3 144.0(2) . 4_556 ?
O34 Ho3 Ho4 40.79(16) . . ?
O34 Ho3 Cl4 65.0(2) . . ?
O34 Ho3 O4 66.5(2) . . ?
O34 Ho3 Ho7 169.20(16) . 4_556 ?
O34 Ho3 Ho8 79.08(16) . . ?
O34 Ho3 O9 129.9(2) . 4_556 ?
O34 Ho3 O20 140.6(2) . . ?
O34 Ho3 O35 76.2(2) . . ?
O35 Ho3 O3 77.1(2) . 4_556 ?
O35 Ho3 Ho4 42.22(16) . . ?
O35 Ho3 Cl4 129.6(3) . . ?
O35 Ho3 O4 68.1(2) . . ?
O35 Ho3 Ho7 114.52(17) . 4_556 ?
O35 Ho3 Ho8 37.23(16) . . ?
H3WA O3W H3WB 102.8 . . ?
Ho5 O3W H3WA 111.5 . . ?
Ho5 O3W H3WB 111.1 . . ?
C1 O3 Ho3 133.6(6) . 4_556 ?
C1 O3 Ho7 122.7(7) . . ?
Ho3 O3 Ho7 93.1(2) 4_556 . ?
C7 N3 H3 107.0 . . ?
C7 N3 Ho8 107.0(8) . . ?
C7 N3 C9 117.2(10) . . ?
Ho8 N3 H3 107.0 . . ?
C9 N3 H3 107.0 . . ?
C9 N3 Ho8 111.0(6) . . ?
O10 C3 C9 117.0(11) . . ?
O15 C3 C9 121.6(10) . . ?
O15 C3 O10 121.4(9) . . ?
O1W Ho4 N1 104.2(3) . . ?
O1W Ho4 Ho2 92.2(2) . . ?
O1W Ho4 Ho3 94.8(2) . . ?
O1 Ho4 O1W 125.6(3) . . ?
O1 Ho4 N1 130.0(3) . . ?
O1 Ho4 Ho2 37.25(18) . . ?
O1 Ho4 Ho3 79.11(16) . . ?
O1 Ho4 O4 123.6(2) . . ?
O1 Ho4 O19 74.8(3) . . ?
O1 Ho4 O23 77.8(3) . . ?
O1 Ho4 O26 136.1(3) . . ?
O1 Ho4 O35 65.1(2) . . ?
N1 Ho4 Ho2 152.7(2) . . ?
N1 Ho4 Ho3 94.5(2) . . ?
Ho3 Ho4 Ho2 62.07(2) . . ?
O4 Ho4 O1W 72.1(3) . . ?
O4 Ho4 N1 64.8(3) . . ?
O4 Ho4 Ho2 101.12(17) . . ?
O4 Ho4 Ho3 44.54(17) . . ?
O4 Ho4 O26 100.2(3) . . ?
O19 Ho4 O1W 73.6(3) . . ?
O19 Ho4 N1 129.1(3) . . ?
O19 Ho4 Ho2 76.13(18) . . ?
O19 Ho4 Ho3 136.30(17) . . ?
O19 Ho4 O4 145.5(2) . . ?
O19 Ho4 O26 70.5(3) . . ?
O19 Ho4 O35 139.6(3) . . ?
O23 Ho4 O1W 137.6(3) . . ?
O23 Ho4 N1 66.5(4) . . ?
O23 Ho4 Ho2 114.6(2) . . ?
O23 Ho4 Ho3 126.2(3) . . ?
O23 Ho4 O4 128.3(3) . . ?
O23 Ho4 O19 81.4(4) . . ?
O23 Ho4 O26 71.2(3) . . ?
O23 Ho4 O35 85.1(3) . . ?
O26 Ho4 O1W 68.4(3) . . ?
O26 Ho4 N1 62.4(3) . . ?
O26 Ho4 Ho2 144.9(2) . . ?
O26 Ho4 Ho3 144.7(2) . . ?
O34 Ho4 O1W 70.9(3) . . ?
O34 Ho4 O1 70.5(2) . . ?
O34 Ho4 N1 130.9(3) . . ?
O34 Ho4 Ho2 35.74(16) . . ?
O34 Ho4 Ho3 40.29(17) . . ?
O34 Ho4 O4 67.5(2) . . ?
O34 Ho4 O19 97.4(2) . . ?
O34 Ho4 O23 147.4(3) . . ?
O34 Ho4 O26 139.3(3) . . ?
O34 Ho4 O35 74.8(2) . . ?
O35 Ho4 O1W 135.2(3) . . ?
O35 Ho4 N1 77.7(3) . . ?
O35 Ho4 Ho2 75.32(17) . . ?
O35 Ho4 Ho3 41.17(16) . . ?
O35 Ho4 O4 68.7(2) . . ?
O35 Ho4 O26 139.0(2) . . ?
Ho2 Cl4 Ho2 140.9(7) . 4_556 ?
Ho3 Cl4 Ho2 72.83(12) . . ?
Ho3 Cl4 Ho2 146.2(6) 4_556 . ?
Ho3 Cl4 Ho2 72.83(12) 4_556 4_556 ?
Ho3 Cl4 Ho2 146.2(6) . 4_556 ?
Ho3 Cl4 Ho3 73.4(5) 4_556 . ?
H4WA O4W H4WB 102.5 . . ?
Ho8 O4W H4WA 111.4 . . ?
Ho8 O4W H4WB 111.8 . . ?
C2 O4 Ho3 132.5(7) . . ?
C2 O4 Ho4 123.2(7) . . ?
Ho4 O4 Ho3 92.7(2) . . ?
Ho5 N4 H4 107.3 . . ?
C8 N4 H4 107.3 . . ?
C8 N4 Ho5 106.0(7) . . ?
C14 N4 H4 107.3 . . ?
C14 N4 Ho5 111.3(6) . . ?
C14 N4 C8 117.1(9) . . ?
O6 C4 C12 116.1(10) . . ?
O19 C4 O6 123.8(9) . . ?
O19 C4 C12 120.0(9) . . ?
Ho1 Ho5 Ho2 62.16(2) . . ?
O2 Ho5 Ho1 43.98(17) . . ?
O2 Ho5 Ho2 99.98(17) . . ?
O2 Ho5 N4 63.5(3) . . ?
O3W Ho5 Ho1 96.1(2) . . ?
O3W Ho5 Ho2 92.9(2) . . ?
O3W Ho5 O2 71.9(3) . . ?
O3W Ho5 N4 101.6(3) . . ?
N4 Ho5 Ho1 92.8(2) . . ?
N4 Ho5 Ho2 152.5(2) . . ?
O5 Ho5 Ho1 40.71(16) . . ?
O5 Ho5 Ho2 35.83(16) . . ?
O5 Ho5 O2 66.3(2) . . ?
O5 Ho5 O3W 71.6(3) . . ?
O5 Ho5 N4 128.7(3) . . ?
O5 Ho5 O11 146.3(3) . . ?
O5 Ho5 O15 97.0(2) . . ?
O5 Ho5 O17 75.0(2) . 4_556 ?
O5 Ho5 O28 141.5(4) . . ?
O11 Ho5 Ho1 121.4(2) . . ?
O11 Ho5 Ho2 115.26(19) . . ?
O11 Ho5 O2 125.2(3) . . ?
O11 Ho5 O3W 140.2(3) . . ?
O11 Ho5 N4 66.4(3) . . ?
O11 Ho5 O15 86.4(3) . . ?
O11 Ho5 O17 80.5(3) . 4_556 ?
O11 Ho5 O28 70.7(4) . . ?
O12 Ho5 Ho1 79.88(16) . . ?
O12 Ho5 Ho2 37.37(16) . . ?
O12 Ho5 O2 123.8(2) . . ?
O12 Ho5 O3W 125.6(3) . . ?
O12 Ho5 N4 132.7(3) . . ?
O12 Ho5 O5 71.1(2) . . ?
O12 Ho5 O11 77.9(2) . . ?
O12 Ho5 O15 73.5(2) . . ?
O12 Ho5 O17 65.8(2) . 4_556 ?
O12 Ho5 O28 131.6(4) . . ?
O15 Ho5 Ho1 136.18(17) . . ?
O15 Ho5 Ho2 75.76(17) . . ?
O15 Ho5 O2 144.8(2) . . ?
O15 Ho5 O3W 73.4(3) . . ?
O15 Ho5 N4 130.7(3) . . ?
O15 Ho5 O28 68.8(3) . . ?
O17 Ho5 Ho1 40.96(17) 4_556 . ?
O17 Ho5 Ho2 75.19(17) 4_556 . ?
O17 Ho5 O2 69.1(2) 4_556 . ?
O17 Ho5 O3W 136.2(3) 4_556 . ?
O17 Ho5 N4 78.2(3) 4_556 . ?
O17 Ho5 O15 139.0(2) 4_556 . ?
O17 Ho5 O28 139.0(3) 4_556 . ?
O28 Ho5 Ho1 148.2(4) . . ?
O28 Ho5 Ho2 143.7(3) . . ?
O28 Ho5 O2 104.4(4) . . ?
O28 Ho5 O3W 70.1(4) . . ?
O28 Ho5 N4 63.9(3) . . ?
Ho1 O5 Ho5 97.9(2) . . ?
Ho1 O5 H5 113.9 . . ?
Ho2 O5 Ho1 109.0(3) . . ?
Ho2 O5 Ho5 107.0(3) . . ?
Ho2 O5 H5 113.9 . . ?
Ho5 O5 H5 113.9 . . ?
H5WA O5W H5WB 102.7 . . ?
Ho7 O5W H5WA 111.2 . . ?
Ho7 O5W H5WB 111.6 . . ?
C6 N5 H5A 106.6 . . ?
C6 N5 Ho7 111.2(7) . . ?
C6 N5 C19 118.4(10) . . ?
Ho7 N5 H5A 106.6 . . ?
C19 N5 H5A 106.6 . . ?
C19 N5 Ho7 106.9(8) . . ?
O2 C5 C14 118.8(9) . . ?
O16 C5 O2 121.1(10) . . ?
O16 C5 C14 120.0(10) . . ?
Ho2 Ho6 Ho1 62.15(2) 4_556 . ?
O2W Ho6 Ho1 91.7(2) . . ?
O2W Ho6 Ho2 95.0(2) . 4_556 ?
O2W Ho6 N2 103.3(4) . 4_556 ?
N2 Ho6 Ho1 152.6(3) 4_556 . ?
N2 Ho6 Ho2 93.4(3) 4_556 4_556 ?
O6 Ho6 Ho1 100.20(16) 4_556 . ?
O6 Ho6 Ho2 43.81(16) 4_556 4_556 ?
O6 Ho6 O2W 72.3(3) 4_556 . ?
O6 Ho6 N2 64.0(3) 4_556 4_556 ?
O7 Ho6 Ho1 36.22(15) 4_556 . ?
O7 Ho6 Ho2 40.23(15) 4_556 4_556 ?
O7 Ho6 O2W 70.4(3) 4_556 . ?
O7 Ho6 N2 129.0(3) 4_556 4_556 ?
O7 Ho6 O6 66.2(2) 4_556 4_556 ?
O7 Ho6 O12 74.9(2) 4_556 4_556 ?
O7 Ho6 O16 97.1(2) 4_556 . ?
O7 Ho6 O22 147.4(3) 4_556 4_556 ?
O7 Ho6 O24 140.2(3) 4_556 4_556 ?
O12 Ho6 Ho1 75.54(16) 4_556 . ?
O12 Ho6 Ho2 41.00(16) 4_556 4_556 ?
O12 Ho6 O2W 135.3(3) 4_556 . ?
O12 Ho6 N2 77.7(3) 4_556 4_556 ?
O12 Ho6 O6 68.3(2) 4_556 4_556 ?
O12 Ho6 O16 139.8(2) 4_556 . ?
O12 Ho6 O24 138.5(3) 4_556 4_556 ?
O16 Ho6 Ho1 75.71(17) . . ?
O16 Ho6 Ho2 135.89(17) . 4_556 ?
O16 Ho6 O2W 72.9(3) . . ?
O16 Ho6 N2 130.4(3) . 4_556 ?
O16 Ho6 O6 144.8(2) . 4_556 ?
O16 Ho6 O24 70.3(3) . 4_556 ?
O17 Ho6 Ho1 37.16(18) . . ?
O17 Ho6 Ho2 79.64(17) . 4_556 ?
O17 Ho6 O2W 124.6(3) . . ?
O17 Ho6 N2 132.0(3) . 4_556 ?
O17 Ho6 O6 123.4(2) . 4_556 ?
O17 Ho6 O7 71.1(2) . 4_556 ?
O17 Ho6 O12 66.1(2) . 4_556 ?
O17 Ho6 O16 74.0(3) . . ?
O17 Ho6 O22 78.5(3) . 4_556 ?
O17 Ho6 O24 134.3(3) . 4_556 ?
O22 Ho6 Ho1 115.6(3) 4_556 . ?
O22 Ho6 Ho2 123.3(2) 4_556 4_556 ?
O22 Ho6 O2W 139.8(3) 4_556 . ?
O22 Ho6 N2 65.9(4) 4_556 4_556 ?
O22 Ho6 O6 125.8(3) 4_556 4_556 ?
O22 Ho6 O12 82.3(3) 4_556 4_556 ?
O22 Ho6 O16 85.4(3) 4_556 . ?
O22 Ho6 O24 71.2(3) 4_556 4_556 ?
O24 Ho6 Ho1 144.7(2) 4_556 . ?
O24 Ho6 Ho2 145.9(3) 4_556 4_556 ?
O24 Ho6 O2W 69.8(3) 4_556 . ?
O24 Ho6 N2 62.7(4) 4_556 4_556 ?
O24 Ho6 O6 102.1(3) 4_556 4_556 ?
C4 O6 Ho2 132.8(6) . . ?
C4 O6 Ho6 122.9(7) . 4_556 ?
Ho6 O6 Ho2 93.2(2) 4_556 . ?
C1 C6 H6A 110.1 . . ?
C1 C6 H6B 110.1 . . ?
N5 C6 C1 108.2(9) . . ?
N5 C6 H6A 110.1 . . ?
N5 C6 H6B 110.1 . . ?
H6A C6 H6B 108.4 . . ?
Ho3 Ho7 Ho3 61.40(2) 4_556 . ?
Ho3 Ho7 Ho7 59.161(18) 4_556 4_556 ?
Ho3 Ho7 Ho7 55.193(18) . 4_556 ?
O3 Ho7 Ho3 99.03(16) . . ?
O3 Ho7 Ho3 43.43(16) . 4_556 ?
O3 Ho7 N5 63.3(3) . . ?
O3 Ho7 Ho7 97.64(17) . 4_556 ?
O5W Ho7 Ho3 93.3(3) . . ?
O5W Ho7 Ho3 95.9(2) . 4_556 ?
O5W Ho7 O3 72.2(3) . . ?
O5W Ho7 N5 100.0(3) . . ?
O5W Ho7 Ho7 145.8(3) . 4_556 ?
O5W Ho7 O25 69.6(4) . . ?
N5 Ho7 Ho3 152.6(2) . . ?
N5 Ho7 Ho3 93.3(2) . 4_556 ?
N5 Ho7 Ho7 104.2(2) . 4_556 ?
O9 Ho7 Ho3 35.49(14) . . ?
O9 Ho7 Ho3 40.00(16) . 4_556 ?
O9 Ho7 O3 65.7(2) . . ?
O9 Ho7 O5W 72.2(3) . . ?
O9 Ho7 N5 128.2(3) . . ?
O9 Ho7 Ho7 73.85(18) . 4_556 ?
O9 Ho7 O13 97.4(2) . . ?
O9 Ho7 O20 74.4(2) . 4_556 ?
O9 Ho7 O25 141.6(4) . . ?
O13 Ho7 Ho3 135.77(18) . 4_556 ?
O13 Ho7 Ho3 76.01(18) . . ?
O13 Ho7 O3 145.6(3) . . ?
O13 Ho7 O5W 74.1(3) . . ?
O13 Ho7 N5 130.6(3) . . ?
O13 Ho7 Ho7 106.32(19) . 4_556 ?
O13 Ho7 O20 139.2(3) . 4_556 ?
O13 Ho7 O25 68.8(3) . . ?
O20 Ho7 Ho3 75.12(17) 4_556 . ?
O20 Ho7 Ho3 79.18(17) . 4_556 ?
O20 Ho7 Ho3 40.68(17) 4_556 4_556 ?
O20 Ho7 Ho3 37.30(17) . . ?
O20 Ho7 O3 67.8(2) 4_556 . ?
O20 Ho7 O3 122.6(2) . . ?
O20 Ho7 O5W 135.6(3) 4_556 . ?
O20 Ho7 O5W 126.1(3) . . ?
O20 Ho7 N5 78.6(3) 4_556 . ?
O20 Ho7 N5 133.7(3) . . ?
O20 Ho7 Ho7 32.86(17) 4_556 4_556 ?
O20 Ho7 Ho7 33.76(17) . 4_556 ?
O20 Ho7 O9 70.6(2) . . ?
O20 Ho7 O13 73.5(3) . . ?
O20 Ho7 O20 66.0(3) . 4_556 ?
O20 Ho7 O21 79.1(3) . . ?
O20 Ho7 O25 139.2(3) 4_556 . ?
O20 Ho7 O25 132.2(4) . . ?
O21 Ho7 Ho3 121.4(3) . 4_556 ?
O21 Ho7 Ho3 116.4(2) . . ?
O21 Ho7 O3 124.2(3) . . ?
O21 Ho7 O5W 139.8(4) . . ?
O21 Ho7 N5 66.1(3) . . ?
O21 Ho7 Ho7 73.2(3) . 4_556 ?
O21 Ho7 O9 146.6(3) . . ?
O21 Ho7 O13 86.9(3) . . ?
O21 Ho7 O20 80.8(3) . 4_556 ?
O21 Ho7 O25 70.6(4) . . ?
O25 Ho7 Ho3 148.4(3) . 4_556 ?
O25 Ho7 Ho3 143.9(2) . . ?
O25 Ho7 O3 105.1(3) . . ?
O25 Ho7 N5 63.5(3) . . ?
O25 Ho7 Ho7 143.7(3) . 4_556 ?
Ho1 O7 Ho2 109.3(3) . . ?
Ho1 O7 Ho6 106.0(3) . 4_556 ?
Ho1 O7 H7 114.0 . . ?
Ho2 O7 Ho6 98.3(2) . 4_556 ?
Ho2 O7 H7 114.0 . . ?
Ho6 O7 H7 114.0 4_556 . ?
N3 C7 C11 105.4(11) . . ?
N3 C7 C23 108.7(12) . . ?
N3 C7 C27 114.1(13) . . ?
C11 C7 C27 109.2(13) . . ?
C23 C7 C11 111.2(15) . . ?
C23 C7 C27 108.2(12) . . ?
O1 Ho8 Ho2 40.50(18) . . ?
O1 Ho8 Ho3 75.31(16) . . ?
O1 Ho8 N3 78.6(3) . . ?
O1 Ho8 O4W 135.2(3) . . ?
O1 Ho8 O10 68.1(3) . . ?
O1 Ho8 O18 140.0(3) . 4_556 ?
O1 Ho8 O29 139.6(3) . . ?
Ho2 Ho8 Ho3 62.04(2) . . ?
N3 Ho8 Ho2 94.0(2) . . ?
N3 Ho8 Ho3 153.3(2) . . ?
O4W Ho8 Ho2 95.7(3) . . ?
O4W Ho8 Ho3 93.5(2) . . ?
O4W Ho8 N3 101.0(3) . . ?
O4W Ho8 O10 71.7(3) . . ?
O8 Ho8 O1 74.4(2) . . ?
O8 Ho8 Ho2 40.21(17) . . ?
O8 Ho8 Ho3 36.05(16) . . ?
O8 Ho8 N3 129.4(3) . . ?
O8 Ho8 O4W 72.0(3) . . ?
O8 Ho8 O10 66.4(2) . . ?
O8 Ho8 O14 147.3(3) . . ?
O8 Ho8 O18 96.9(2) . 4_556 ?
O8 Ho8 O29 141.9(3) . . ?
O10 Ho8 Ho2 44.11(17) . . ?
O10 Ho8 Ho3 100.33(17) . . ?
O10 Ho8 N3 64.0(3) . . ?
O14 Ho8 O1 82.6(3) . . ?
O14 Ho8 Ho2 123.0(3) . . ?
O14 Ho8 Ho3 115.8(3) . . ?
O14 Ho8 N3 65.8(4) . . ?
O14 Ho8 O4W 138.7(4) . . ?
O14 Ho8 O10 125.5(3) . . ?
O14 Ho8 O18 85.9(3) . 4_556 ?
O14 Ho8 O29 69.0(4) . . ?
O18 Ho8 Ho2 135.68(17) 4_556 . ?
O18 Ho8 Ho3 75.65(17) 4_556 . ?
O18 Ho8 N3 130.0(3) 4_556 . ?
O18 Ho8 O4W 73.3(3) 4_556 . ?
O18 Ho8 O10 144.4(3) 4_556 . ?
O18 Ho8 O29 67.7(3) 4_556 . ?
O29 Ho8 Ho2 149.5(3) . . ?
O29 Ho8 Ho3 142.7(2) . . ?
O29 Ho8 N3 64.0(3) . . ?
O29 Ho8 O4W 70.2(4) . . ?
O29 Ho8 O10 105.4(3) . . ?
O35 Ho8 O1 65.9(2) . . ?
O35 Ho8 Ho2 79.63(17) . . ?
O35 Ho8 Ho3 37.60(17) . . ?
O35 Ho8 N3 132.1(3) . . ?
O35 Ho8 O4W 126.7(3) . . ?
O35 Ho8 O8 71.3(2) . . ?
O35 Ho8 O10 123.7(2) . . ?
O35 Ho8 O14 78.3(3) . . ?
O35 Ho8 O18 74.3(3) . 4_556 ?
O35 Ho8 O29 130.6(4) . . ?
Ho2 O8 Ho8 99.1(2) . . ?
Ho2 O8 H8 113.6 . . ?
Ho3 O8 Ho2 108.9(3) . . ?
Ho3 O8 Ho8 106.8(3) . . ?
Ho3 O8 H8 113.6 . . ?
Ho8 O8 H8 113.6 . . ?
N4 C8 C13 104.5(9) . . ?
N4 C8 C18 112.9(10) . . ?
N4 C8 C21 109.7(10) . . ?
C18 C8 C13 109.7(10) . . ?
C21 C8 C13 110.4(11) . . ?
C21 C8 C18 109.5(10) . . ?
Ho3 O9 Ho3 108.3(3) . 4_556 ?
Ho3 O9 Ho7 107.7(3) . . ?
Ho3 O9 Ho7 99.5(2) 4_556 . ?
Ho3 O9 H9 113.4 4_556 . ?
Ho3 O9 H9 113.4 . . ?
Ho7 O9 H9 113.4 . . ?
N3 C9 C3 108.7(9) . . ?
N3 C9 H9A 110.0 . . ?
N3 C9 H9B 110.0 . . ?
C3 C9 H9A 110.0 . . ?
C3 C9 H9B 110.0 . . ?
H9A C9 H9B 108.3 . . ?
C3 O10 Ho2 133.9(7) . . ?
C3 O10 Ho8 122.0(7) . . ?
Ho8 O10 Ho2 92.6(2) . . ?
N1 C10 C2 109.4(8) . . ?
N1 C10 H10A 109.8 . . ?
N1 C10 H10B 109.8 . . ?
C2 C10 H10A 109.8 . . ?
C2 C10 H10B 109.8 . . ?
H10A C10 H10B 108.2 . . ?
Ho5 O11 H11 130(2) . . ?
C13 O11 Ho5 119.7(7) . . ?
C13 O11 H11 107(2) . . ?
C7 C11 H11A 109.4 . . ?
C7 C11 H11B 109.4 . . ?
H11A C11 H11B 108.0 . . ?
O14 C11 C7 111.0(12) . . ?
O14 C11 H11A 109.4 . . ?
O14 C11 H11B 109.4 . . ?
Ho2 O12 Ho5 105.1(2) . . ?
Ho2 O12 Ho6 97.1(2) . 4_556 ?
Ho2 O12 H12 113.4 . . ?
Ho5 O12 Ho6 113.2(3) . 4_556 ?
Ho5 O12 H12 113.4 . . ?
Ho6 O12 H12 113.4 4_556 . ?
N2 C12 C4 108.2(9) . . ?
N2 C12 H12A 110.1 . . ?
N2 C12 H12B 110.1 . . ?
C4 C12 H12A 110.1 . . ?
C4 C12 H12B 110.1 . . ?
H12A C12 H12B 108.4 . . ?
C2 O13 Ho7 125.6(6) . . ?
C8 C13 H13A 109.0 . . ?
C8 C13 H13B 109.0 . . ?
O11 C13 C8 113.1(10) . . ?
O11 C13 H13A 109.0 . . ?
O11 C13 H13B 109.0 . . ?
H13A C13 H13B 107.8 . . ?
Ho8 O14 H14 126(2) . . ?
C11 O14 Ho8 121.4(10) . . ?
C11 O14 H14 106(2) . . ?
N4 C14 C5 107.5(9) . . ?
N4 C14 H14A 110.2 . . ?
N4 C14 H14B 110.2 . . ?
C5 C14 H14A 110.2 . . ?
C5 C14 H14B 110.2 . . ?
H14A C14 H14B 108.5 . . ?
C3 O15 Ho5 127.4(6) . . ?
N1 C15 C16 108.3(11) . . ?
N1 C15 C24 113.1(12) . . ?
N1 C15 C26 105.6(11) . . ?
C16 C15 C24 107.8(12) . . ?
C26 C15 C16 113.7(13) . . ?
C26 C15 C24 108.5(12) . . ?
C5 O16 Ho6 126.6(7) . . ?
C15 C16 H16A 110.6 . . ?
C15 C16 H16B 110.6 . . ?
H16A C16 H16B 108.7 . . ?
O26 C16 C15 105.7(10) . . ?
O26 C16 H16A 110.6 . . ?
O26 C16 H16B 110.6 . . ?
Ho1 O17 Ho5 97.0(2) . 4_556 ?
Ho1 O17 Ho6 105.6(3) . . ?
Ho1 O17 H17 113.0 . . ?
Ho5 O17 H17 113.0 4_556 . ?
Ho6 O17 Ho5 114.0(3) . 4_556 ?
Ho6 O17 H17 113.0 . . ?
N2 C17 C20 104.9(11) . . ?
N2 C17 C28 111.3(12) . . ?
C20 C17 C28 110.2(12) . . ?
C30 C17 N2 109.0(11) . . ?
C30 C17 C20 113.2(14) . . ?
C30 C17 C28 108.3(12) . . ?
C1 O18 Ho8 126.5(6) . 4_556 ?
C8 C18 H18A 108.9 . . ?
C8 C18 H18B 108.9 . . ?
H18A C18 H18B 107.7 . . ?
O27 C18 C8 113.2(11) . . ?
O27 C18 H18A 108.9 . . ?
O27 C18 H18B 108.9 . . ?
C4 O19 Ho4 126.1(6) . . ?
N5 C19 C22 107.1(11) . . ?
N5 C19 C25 106.2(10) . . ?
N5 C19 C29 114.4(12) . . ?
C25 C19 C22 111.1(12) . . ?
C25 C19 C29 110.5(12) . . ?
C29 C19 C22 107.6(12) . . ?
Ho3 O20 Ho7 97.6(2) . 4_556 ?
Ho3 O20 H20 113.0 . . ?
Ho7 O20 Ho3 105.5(3) . . ?
Ho7 O20 Ho7 113.4(3) . 4_556 ?
Ho7 O20 H20 113.0 . . ?
Ho7 O20 H20 113.0 4_556 . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
H20A C20 H20B 108.0 . . ?
O22 C20 C17 110.9(11) . . ?
O22 C20 H20A 109.5 . . ?
O22 C20 H20B 109.5 . . ?
Ho7 O21 H21 130(2) . . ?
C25 O21 Ho7 120.7(7) . . ?
C25 O21 H21 108(2) . . ?
C8 C21 H21A 110.3 . . ?
C8 C21 H21B 110.3 . . ?
H21A C21 H21B 108.6 . . ?
O28 C21 C8 106.9(9) . . ?
O28 C21 H21A 110.3 . . ?
O28 C21 H21B 110.3 . . ?
Ho6 O22 H22 94.8 4_556 . ?
C20 O22 Ho6 120.9(9) . 4_556 ?
C20 O22 H22 109.5 . . ?
C19 C22 H22A 110.4 . . ?
C19 C22 H22B 110.4 . . ?
H22A C22 H22B 108.6 . . ?
O25 C22 C19 106.7(10) . . ?
O25 C22 H22A 110.4 . . ?
O25 C22 H22B 110.4 . . ?
Ho4 O23 H23 128(2) . . ?
C26 O23 Ho4 120.2(8) . . ?
C26 O23 H23 107(2) . . ?
C7 C23 H23A 110.2 . . ?
C7 C23 H23B 110.2 . . ?
H23A C23 H23B 108.5 . . ?
O29 C23 C7 107.7(12) . . ?
O29 C23 H23A 110.2 . . ?
O29 C23 H23B 110.2 . . ?
Ho6 O24 H24 92(9) 4_556 . ?
C30 O24 Ho6 124.7(8) . 4_556 ?
C30 O24 H24 115(3) . . ?
C15 C24 H24A 110.9 . . ?
C15 C24 H24B 110.9 . . ?
H24A C24 H24B 108.9 . . ?
O30 C24 C15 104.2(12) . . ?
O30 C24 H24A 110.9 . . ?
O30 C24 H24B 110.9 . . ?
Ho7 O25 H25 124(2) . . ?
C22 O25 Ho7 124.8(8) . . ?
C22 O25 H25 107(2) . . ?
C19 C25 H25A 109.2 . . ?
C19 C25 H25B 109.2 . . ?
O21 C25 C19 112.0(10) . . ?
O21 C25 H25A 109.2 . . ?
O21 C25 H25B 109.2 . . ?
H25A C25 H25B 107.9 . . ?
Ho4 O26 H26 123.9(19) . . ?
C16 O26 Ho4 124.8(7) . . ?
C16 O26 H26 110(2) . . ?
C15 C26 H26A 109.0 . . ?
C15 C26 H26B 109.8 . . ?
O23 C26 C15 111.2(11) . . ?
O23 C26 H26A 109.3 . . ?
O23 C26 H26B 109.5 . . ?
H26A C26 H26B 108.0 . . ?
C18 O27 H27 109.5 . . ?
C7 C27 H27A 109.8 . . ?
C7 C27 H27B 109.8 . . ?
H27A C27 H27B 108.2 . . ?
O32 C27 C7 109.5(12) . . ?
O32 C27 H27A 109.8 . . ?
O32 C27 H27B 109.8 . . ?
Ho5 O28 H28 125.7(19) . . ?
C21 O28 Ho5 124.8(7) . . ?
C21 O28 H28 109.2(19) . . ?
C17 C28 H28A 108.8 . . ?
C17 C28 H28B 108.8 . . ?
H28A C28 H28B 107.7 . . ?
O33 C28 C17 113.8(12) . . ?
O33 C28 H28A 108.8 . . ?
O33 C28 H28B 108.8 . . ?
Ho8 O29 H29 127.2(18) . . ?
C23 O29 Ho8 123.0(8) . . ?
C23 O29 H29 109.8(18) . . ?
C19 C29 H29A 107.8 . . ?
C19 C29 H29B 107.8 . . ?
H29A C29 H29B 107.1 . . ?
O31 C29 C19 118.2(14) . . ?
O31 C29 H29A 107.8 . . ?
O31 C29 H29B 107.8 . . ?
C24 O30 H30 109.5 . . ?
C17 C30 H30A 110.5 . . ?
C17 C30 H30B 110.5 . . ?
O24 C30 C17 106.0(10) . . ?
O24 C30 H30A 110.5 . . ?
O24 C30 H30B 110.5 . . ?
H30A C30 H30B 108.7 . . ?
C29 O31 H31 109.5 . . ?
C27 O32 H32 109.5 . . ?
C28 O33 H33 109.5 . . ?
Ho2 O34 Ho3 109.3(3) . . ?
Ho2 O34 Ho4 107.2(3) . . ?
Ho2 O34 H34 113.4 . . ?
Ho3 O34 Ho4 98.9(2) . . ?
Ho3 O34 H34 113.4 . . ?
Ho4 O34 H34 113.4 . . ?
Ho3 O35 Ho4 96.6(2) . . ?
Ho3 O35 H35 113.2 . . ?
Ho4 O35 H35 113.2 . . ?
Ho8 O35 Ho3 105.2(3) . . ?
Ho8 O35 Ho4 114.2(3) . . ?
Ho8 O35 H35 113.2 . . ?

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
Ho1 O2 C5 C14 127.5(9) . . . . ?
Ho1 O2 C5 O16 -53.0(14) . . . . ?
N1 C15 C16 O26 -42.1(16) . . . . ?
N1 C15 C24 O30 73.0(14) . . . . ?
N1 C15 C26 O23 53.3(15) . . . . ?
O2 C5 C14 N4 -28.3(14) . . . . ?
O2 C5 O16 Ho6 7.5(14) . . . . ?
N2 C17 C20 O22 50.5(15) . . . . ?
N2 C17 C28 O33 -163.4(13) . . . . ?
N2 C17 C30 O24 -41.3(17) . . . . ?
O3 C1 C6 N5 -30.7(13) . . . . ?
O3 C1 O18 Ho8 5.4(14) . . . 4_556 ?
N3 C7 C11 O14 47.6(16) . . . . ?
N3 C7 C23 O29 -47.7(18) . . . . ?
N3 C7 C27 O32 58.6(19) . . . . ?
Ho4 N1 C10 C2 42.0(11) . . . . ?
Ho4 N1 C15 C16 63.2(12) . . . . ?
Ho4 N1 C15 C24 -177.4(10) . . . . ?
Ho4 N1 C15 C26 -58.9(11) . . . . ?
Ho4 O23 C26 C15 -19.6(16) . . . . ?
O4 C2 C10 N1 -27.3(14) . . . . ?
O4 C2 O13 Ho7 6.0(15) . . . . ?
N4 C8 C13 O11 47.9(13) . . . . ?
N4 C8 C18 O27 50.6(16) . . . . ?
N4 C8 C21 O28 -43.7(15) . . . . ?
Ho5 O2 C5 C14 -4.0(13) . . . . ?
Ho5 O2 C5 O16 175.5(7) . . . . ?
Ho5 N4 C8 C13 -58.8(9) . . . . ?
Ho5 N4 C8 C18 -178.0(9) . . . . ?
Ho5 N4 C8 C21 59.6(10) . . . . ?
Ho5 N4 C14 C5 44.5(10) . . . . ?
Ho5 O11 C13 C8 -11.3(13) . . . . ?
N5 C19 C22 O25 -47.0(15) . . . . ?
N5 C19 C25 O21 45.6(15) . . . . ?
N5 C19 C29 O31 -65(2) . . . . ?
Ho6 N2 C12 C4 45.0(11) 4_556 . . . ?
Ho6 N2 C17 C20 -59.6(11) 4_556 . . . ?
Ho6 N2 C17 C28 -178.7(10) 4_556 . . . ?
Ho6 N2 C17 C30 61.9(13) 4_556 . . . ?
Ho6 O24 C30 C17 0.8(17) 4_556 . . . ?
O6 C4 C12 N2 -28.7(14) . . . . ?
O6 C4 O19 Ho4 7.6(14) . . . . ?
C6 C1 O3 Ho3 132.7(9) . . . 4_556 ?
C6 C1 O3 Ho7 -1.8(12) . . . . ?
C6 C1 O18 Ho8 -175.6(7) . . . 4_556 ?
C6 N5 C19 C22 -64.9(14) . . . . ?
C6 N5 C19 C25 176.3(11) . . . . ?
C6 N5 C19 C29 54.2(17) . . . . ?
Ho7 N5 C6 C1 46.7(10) . . . . ?
Ho7 N5 C19 C22 61.4(11) . . . . ?
Ho7 N5 C19 C25 -57.3(11) . . . . ?
Ho7 N5 C19 C29 -179.4(11) . . . . ?
Ho7 O21 C25 C19 -9.6(15) . . . . ?
C7 N3 C9 C3 168.5(11) . . . . ?
C7 C11 O14 Ho8 -12.1(16) . . . . ?
C7 C23 O29 Ho8 11.4(19) . . . . ?
Ho8 N3 C7 C11 -58.6(12) . . . . ?
Ho8 N3 C7 C23 60.8(14) . . . . ?
Ho8 N3 C7 C27 -178.4(11) . . . . ?
Ho8 N3 C9 C3 45.2(11) . . . . ?
C8 N4 C14 C5 166.6(9) . . . . ?
C8 C21 O28 Ho5 5.4(18) . . . . ?
C9 N3 C7 C11 176.0(11) . . . . ?
C9 N3 C7 C23 -64.6(16) . . . . ?
C9 N3 C7 C27 56.2(17) . . . . ?
C9 C3 O10 Ho2 130.2(9) . . . . ?
C9 C3 O10 Ho8 -2.2(12) . . . . ?
C9 C3 O15 Ho5 -175.7(7) . . . . ?
O10 C3 C9 N3 -29.6(13) . . . . ?
O10 C3 O15 Ho5 4.3(14) . . . . ?
C10 N1 C15 C16 -61.1(15) . . . . ?
C10 N1 C15 C24 58.3(15) . . . . ?
C10 N1 C15 C26 176.8(10) . . . . ?
C10 C2 O4 Ho3 129.0(9) . . . . ?
C10 C2 O4 Ho4 -3.6(13) . . . . ?
C10 C2 O13 Ho7 -174.6(8) . . . . ?
C11 C7 C23 O29 67.9(16) . . . . ?
C11 C7 C27 O32 -59.1(17) . . . . ?
C12 N2 C17 C20 174.6(11) . . . . ?
C12 N2 C17 C28 55.5(16) . . . . ?
C12 N2 C17 C30 -63.9(16) . . . . ?
C12 C4 O6 Ho2 130.5(9) . . . . ?
C12 C4 O6 Ho6 -3.0(12) . . . 4_556 ?
C12 C4 O19 Ho4 -173.8(8) . . . . ?
O13 C2 O4 Ho3 -51.6(14) . . . . ?
O13 C2 O4 Ho4 175.8(7) . . . . ?
O13 C2 C10 N1 153.2(10) . . . . ?
C13 C8 C18 O27 -65.5(15) . . . . ?
C13 C8 C21 O28 71.0(14) . . . . ?
C14 N4 C8 C13 176.3(10) . . . . ?
C14 N4 C8 C18 57.1(14) . . . . ?
C14 N4 C8 C21 -65.2(13) . . . . ?
C14 C5 O16 Ho6 -173.0(7) . . . . ?
O15 C3 C9 N3 150.4(10) . . . . ?
O15 C3 O10 Ho2 -49.8(14) . . . . ?
O15 C3 O10 Ho8 177.8(7) . . . . ?
C15 N1 C10 C2 164.1(10) . . . . ?
C15 C16 O26 Ho4 -0.3(16) . . . . ?
O16 C5 C14 N4 152.3(10) . . . . ?
C16 C15 C24 O30 -167.3(12) . . . . ?
C16 C15 C26 O23 -65.3(15) . . . . ?
C17 N2 C12 C4 168.3(10) . . . . ?
C17 C20 O22 Ho6 -16.1(15) . . . 4_556 ?
O18 C1 O3 Ho3 -48.3(15) . . . 4_556 ?
O18 C1 O3 Ho7 177.2(7) . . . . ?
O18 C1 C6 N5 150.2(10) . . . . ?
C18 C8 C13 O11 169.2(10) . . . . ?
C18 C8 C21 O28 -168.1(12) . . . . ?
O19 C4 O6 Ho2 -50.8(14) . . . . ?
O19 C4 O6 Ho6 175.7(7) . . . 4_556 ?
O19 C4 C12 N2 152.5(10) . . . . ?
C19 N5 C6 C1 171.0(10) . . . . ?
C19 C22 O25 Ho7 9.6(17) . . . . ?
C20 C17 C28 O33 80.7(16) . . . . ?
C20 C17 C30 O24 75.0(15) . . . . ?
C21 C8 C13 O11 -70.1(12) . . . . ?
C21 C8 C18 O27 173.1(13) . . . . ?
C22 C19 C25 O21 -70.6(14) . . . . ?
C22 C19 C29 O31 54(2) . . . . ?
C23 C7 C11 O14 -70.0(15) . . . . ?
C23 C7 C27 O32 179.7(14) . . . . ?
C24 C15 C16 O26 -164.8(12) . . . . ?
C24 C15 C26 O23 174.9(12) . . . . ?
C25 C19 C22 O25 68.6(15) . . . . ?
C25 C19 C29 O31 175.6(16) . . . . ?
C26 C15 C16 O26 74.9(14) . . . . ?
C26 C15 C24 O30 -43.8(15) . . . . ?
C27 C7 C11 O14 170.6(12) . . . . ?
C27 C7 C23 O29 -172.2(14) . . . . ?
C28 C17 C20 O22 170.4(11) . . . . ?
C28 C17 C30 O24 -162.5(12) . . . . ?
C29 C19 C22 O25 -170.4(13) . . . . ?
C29 C19 C25 O21 170.1(13) . . . . ?
C30 C17 C20 O22 -68.1(15) . . . . ?
C30 C17 C28 O33 -43.7(19) . . . . ?

_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 3.535
_oxdiff_exptl_absorpt_empirical_full_min 0.398
####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2141690'
loop_
_audit_author_name
_audit_author_address
'Guo-Ming Wang' 'Qingdao University'
_audit_update_record             
;
2022-07-22 deposited with the CCDC.	2022-10-05 downloaded from the CCDC.
;
_audit_creation_date             2022-07-22
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C60 H140 Cl Dy15 N10 O80, 13(Cl)'
_chemical_formula_sum            'C60 H140 Cl14 Dy15 N10 O80'
_chemical_formula_weight         5215.61
_chemical_melting_point          ?
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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -9.8046 9.8477 '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'

_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      orthorhombic
_space_group_IT_number           57
_space_group_name_H-M_alt        'P b c m'
_space_group_name_Hall           '-P 2c 2b'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x, -y+1/2, -z'
'-x, -y, -z'
'x, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x, y-1/2, z'

_cell_length_a                   21.5433(3)
_cell_length_b                   29.8188(3)
_cell_length_c                   24.4709(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     15720.0(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    20791
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      76.3860
_cell_measurement_theta_min      2.5240
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    40.315
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.17623
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.110a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.204
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             9752
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0844
_diffrn_reflns_av_unetI/netI     0.0638
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.962
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            62120
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.962
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.686
_diffrn_reflns_theta_min         2.051
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     46.00  92.00   0.50    1.77    --  104.12 -77.00  30.00   92
  2  ω     39.00  68.00   0.50    1.77    --  104.12 -61.00  60.00   58
  3  ω     44.00  71.00   0.50    1.77    --  104.12 -61.00  30.00   54
  4  ω    -15.00  27.00   0.50    0.44    --   45.94 -19.00 -30.00   84
  5  ω     46.00  71.00   0.50    1.77    --  104.12 -61.00-150.00   50
  6  ω     42.00  69.00   0.50    1.77    --  104.12 -61.00-120.00   54
  7  ω     56.00 113.00   0.50    1.77    --  104.12-149.00-167.00  114
  8  ω     39.00  97.00   0.50    1.77    --  104.12-124.00  -4.00  116
  9  ω    -40.00  23.00   0.50    0.44    --  -45.94  37.00-147.00  126
 10  ω    -62.00 -36.00   0.50    1.77    -- -104.00  61.00 -60.00   52
 11  ω    -24.00  19.00   0.50    0.44    --  -45.94  19.00   0.00   86
 12  ω    -69.00 -44.00   0.50    1.77    -- -104.00  61.00  30.00   50
 13  ω   -159.00 -94.00   0.50    1.77    -- -104.00 -37.00  57.00  130
 14  ω   -169.00-135.00   0.50    1.77    -- -104.00 -85.00-116.00   68
 15  ω   -112.00 -83.00   0.50    0.44    --  -45.94-125.00-150.00   58
 16  ω   -117.00 -92.00   0.50    0.44    --  -45.94-125.00-180.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0343590000
_diffrn_orient_matrix_UB_12      -0.0175198000
_diffrn_orient_matrix_UB_13      0.0508823000
_diffrn_orient_matrix_UB_21      -0.0530763000
_diffrn_orient_matrix_UB_22      0.0173785000
_diffrn_orient_matrix_UB_23      0.0365441000
_diffrn_orient_matrix_UB_31      -0.0335018000
_diffrn_orient_matrix_UB_32      -0.0453977000
_diffrn_orient_matrix_UB_33      -0.0057297000
_diffrn_oxdiff_digest_frames     
;
015e08c9a99065665c14e280cddc011f9c000277b73
;
_diffrn_oxdiff_digest_hkl        
;
0100eaad46b985a476faaf1250f351c04dfcd5
;
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12292
_reflns_number_total             16305
_reflns_odcompleteness_completeness 99.80
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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 1.171.41.110a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_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    ?
_refine_diff_density_max         4.628
_refine_diff_density_min         -4.399
_refine_diff_density_rms         0.550
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.291
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     846
_refine_ls_number_reflns         16305
_refine_ls_number_restraints     376
_refine_ls_R_factor_all          0.1218
_refine_ls_R_factor_gt           0.1042
_refine_ls_restrained_S_all      1.288
_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)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2998
_refine_ls_wR_factor_ref         0.3186
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups, H46 of O46, H2 of O2, H16 of O16, H10 of O10, H8 of O8,
  H14 of O14, H28 of O28, H20 of O20, H24 of O24, H22 of O22, H30 of O30, All
  N(H) groups
 At 1.5 times of:
  H48 of O48, H50 of O50, H36 of O36, H52 of O52, H54 of O54, H56 of O56, H38
  of O38, H66 of O66, H68 of O68, H70 of O70, H58 of O58, H60 of O60, H62 of
  O62, H64 of O64
2. Restrained distances
 O36-H36
 0.85 with sigma of 0.01
 O38-H38
 0.85 with sigma of 0.01
 O48-H48
 0.85 with sigma of 0.01
 O50-H50
 0.85 with sigma of 0.01
 O52-H52
 0.85 with sigma of 0.01
 O54-H54
 0.85 with sigma of 0.01
 O60-H60
 0.85 with sigma of 0.01
 O70-C27
 1.4 with sigma of 0.02
 O56-H56
 0.85 with sigma of 0.01
 O58-H58
 0.85 with sigma of 0.01
 C4-H36
 1.880318 with sigma of 0.02
 Dy11-H36
 3.017246 with sigma of 0.02
 C6-H38
 1.907649 with sigma of 0.02
 Dy13-H38
 3.011882 with sigma of 0.02
 C18-H48
 1.91535 with sigma of 0.02
 Dy15-H48
 2.968821 with sigma of 0.02
 C17-H50
 1.959328 with sigma of 0.02
 Dy9-H50
 2.996305 with sigma of 0.02
 C26-H52
 1.890047 with sigma of 0.02
 Dy7-H52
 3.00404 with sigma of 0.02
 C23-H54
 1.885505 with sigma of 0.02
 Dy9-H54
 3.014421 with sigma of 0.02
 C22-H60
 1.853118 with sigma of 0.02
 Dy11-H60
 2.997874 with sigma of 0.02
 C24-H56
 1.870331 with sigma of 0.02
 Dy15-H56
 2.980574 with sigma of 0.02
 C30-H58
 1.856373 with sigma of 0.02
 Dy13-H58
 3.026866 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
O66 \\sim O66 \\sim O68 \\sim O68: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02
O66 \\sim O66: within 1.7A with sigma of 0.01 and sigma for terminal atoms of
0.02
C21 \\sim C21 \\sim C28 \\sim O66 \\sim O66 \\sim O68: within 1.7A with sigma
of 0.04 and sigma for terminal atoms of 0.08
C21 \\sim O66: within 1.7A with sigma of 0.01 and sigma for terminal atoms of
0.02
C12 \\sim C23 \\sim C27 \\sim O54 \\sim O70: within 1.7A with sigma of 0.001
and sigma for terminal atoms of 0.002
N6 \\sim C16 \\sim C19 \\sim C26 \\sim C28 \\sim O68: within 1.7A with sigma of
0.001 and sigma for terminal atoms of 0.002
Uanis(O66) \\sim Ueq, Uanis(O68) \\sim Ueq, Uanis(O66) \\sim Ueq, Uanis(O68)
\\sim Ueq, Uanis(O64) \\sim Ueq, Uanis(C29) \\sim Ueq, Uanis(O64) \\sim Ueq,
Uanis(O24) \\sim Ueq, Uanis(O24) \\sim Ueq, Uanis(C3) \\sim Ueq, Uanis(O6)
\\sim Ueq, Uanis(C11) \\sim Ueq, Uanis(C27) \\sim Ueq, Uanis(C27) \\sim Ueq,
Uanis(C11) \\sim Ueq, Uanis(C28) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(O66) \\sim Ueq, Uanis(O66) \\sim Ueq, Uanis(O68) \\sim Ueq, Uanis(O68)
\\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(C16) \\sim Ueq, Uanis(C3) \\sim Ueq, Uanis(C16) \\sim Ueq, Uanis(C25)
\\sim Ueq, Uanis(C25) \\sim Ueq, Uanis(C10) \\sim Ueq, Uanis(C3) \\sim Ueq,
Uanis(O66) \\sim Ueq, Uanis(O66) \\sim Ueq, Uanis(O68) \\sim Ueq, Uanis(O68)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C3) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O66) \\sim Ueq, Uanis(O66) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
Uanis(O24) \\sim Ueq, Uanis(O24) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
Uanis(O2) \\sim Ueq, Uanis(O4) \\sim Ueq, Uanis(O6) \\sim Ueq, Uanis(O8) \\sim
Ueq, Uanis(O10) \\sim Ueq, Uanis(O12) \\sim Ueq, Uanis(O14) \\sim Ueq,
Uanis(O16) \\sim Ueq, Uanis(O18) \\sim Ueq, Uanis(O20) \\sim Ueq, Uanis(O24)
\\sim Ueq, Uanis(O26) \\sim Ueq, Uanis(O28) \\sim Ueq, Uanis(O30) \\sim Ueq,
Uanis(O32) \\sim Ueq, Uanis(O34) \\sim Ueq, Uanis(O36) \\sim Ueq, Uanis(O3W)
\\sim Ueq, Uanis(O38) \\sim Ueq, Uanis(O40) \\sim Ueq, Uanis(O42) \\sim Ueq,
Uanis(O4W) \\sim Ueq, Uanis(O2W) \\sim Ueq, Uanis(O44) \\sim Ueq, Uanis(O46)
\\sim Ueq, Uanis(O48) \\sim Ueq, Uanis(O5W) \\sim Ueq, Uanis(O50) \\sim Ueq,
Uanis(O52) \\sim Ueq, Uanis(O1W) \\sim Ueq, Uanis(O54) \\sim Ueq, Uanis(O56)
\\sim Ueq, Uanis(O58) \\sim Ueq, Uanis(O60) \\sim Ueq, Uanis(O62) \\sim Ueq,
Uanis(O64) \\sim Ueq, Uanis(O66) \\sim Ueq, Uanis(O68) \\sim Ueq, Uanis(O22)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(Cl9) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4.a Ternary CH refined with riding coordinates:
 O2(H2), N2(H2A), N4(H4), N6(H6), O8(H8), N8(H8A), O10(H10), N10(H10A),
 O14(H14), O16(H16), O20(H20), O22(H22), O24(H24), O28(H28), O30(H30)
4.b Secondary CH2 refined with riding coordinates:
 C4(H4A,H4B), C6(H6A,H6B), C7(H7A,H7B), C11(H11A,H11B), C13(H13A,H13B),
 C15(H15A,H15B), C16(H16A,H16B), C17(H17A,H17B), C18(H18A,H18B), C20(H20A,H20B),
  C21(H21A,H21B), C22(H22A,H22B), C23(H23A,H23B), C24(H24A,H24B), C25(H25A,
 H25B), C26(H26A,H26B), C27(H27A,H27B), C28(H28A,H28B), C29(H29A,H29B),
 C30(H30A,H30B)
4.c Aromatic/amide H refined with riding coordinates:
 O46(H46)
4.d Tetrahedral OH refined with riding coordinates:
 O62(H62), O66(H66), O68(H68)
4.e Idealised tetrahedral OH refined as rotating group:
 O64(H64), O70(H70)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_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
Cl1 Cl 0.7493(6) 0.7500 0.5000 0.115(5) Uani 1 2 d S T P . .
O1W O 0.6048(7) 0.6792(4) 0.3337(6) 0.054(4) Uani 1 1 d . U . . .
C1 C 0.9448(6) 0.6389(4) 0.3864(5) 0.020(3) Uani 1 1 d . . . . .
Dy2 Dy 0.70175(3) 0.64792(2) 0.49996(3) 0.0163(2) Uani 1 1 d . . . . .
O2 O 0.7604(4) 0.5812(3) 0.5048(3) 0.0148(18) Uani 1 1 d . U . . .
H2 H 0.7346 0.5542 0.5077 0.018 Uiso 1 1 calc R . . . .
O2W O 0.6144(6) 0.6766(4) 0.6650(5) 0.047(3) Uani 1 1 d . U . . .
N2 N 0.4435(5) 0.6861(4) 0.4011(5) 0.025(2) Uani 1 1 d . . . . .
H2A H 0.4264 0.6955 0.4364 0.030 Uiso 1 1 calc R . . . .
C2 C 0.6609(7) 0.5798(4) 0.3889(6) 0.023(3) Uani 1 1 d . . . . .
Dy3 Dy 0.59719(5) 0.7500 0.5000 0.0160(3) Uani 1 2 d S T P . .
O3W O 0.8037(6) 0.6354(4) 0.6652(5) 0.045(3) Uani 1 1 d . U . . .
C3 C 0.9574(6) 0.6475(4) 0.6106(5) 0.020(3) Uani 1 1 d . U . . .
O4 O 0.7003(4) 0.6053(3) 0.4112(4) 0.0195(19) Uani 1 1 d . U . . .
O4W O 0.9210(7) 0.7489(3) 0.3340(6) 0.047(3) Uani 1 1 d . U . . .
N4 N 1.0465(6) 0.6747(4) 0.3980(5) 0.030(3) Uani 1 1 d . . . . .
H4 H 1.0535 0.6601 0.4334 0.036 Uiso 1 1 calc R . . . .
C4 C 0.4086(7) 0.6123(5) 0.4274(7) 0.038(4) Uani 1 1 d D . . . .
H4A H 0.3815 0.6216 0.4570 0.046 Uiso 1 1 calc R . . . .
H4B H 0.3934 0.5837 0.4138 0.046 Uiso 1 1 calc R . . . .
Dy5 Dy 0.86898(3) 0.68682(2) 0.49917(3) 0.0161(2) Uani 1 1 d . . . . .
O5W O 0.7959(6) 0.6303(4) 0.3338(5) 0.046(3) Uani 1 1 d . U . . .
C5 C 0.6811(6) 0.5768(4) 0.6122(6) 0.023(3) Uani 1 1 d . . . . .
O6 O 0.9246(4) 0.6738(3) 0.4111(4) 0.024(2) Uani 1 1 d . U . . .
N6 N 0.9401(7) 0.5681(5) 0.5978(7) 0.0495(18) Uani 1 1 d . U . . .
H6 H 0.9605 0.5673 0.5620 0.059 Uiso 1 1 calc R . . . .
C6 C 0.8238(7) 0.4747(5) 0.4258(7) 0.039(4) Uani 1 1 d D . . . .
H6A H 0.8023 0.4606 0.4561 0.046 Uiso 1 1 calc R . . . .
H6B H 0.8555 0.4542 0.4129 0.046 Uiso 1 1 calc R . . . .
Dy7 Dy 0.82822(4) 0.59153(2) 0.58166(3) 0.0176(2) Uani 1 1 d D . . . .
C7 C 0.6861(7) 0.5358(4) 0.3667(6) 0.027(3) Uani 1 1 d . . . . .
H7A H 0.6538 0.5132 0.3674 0.033 Uiso 1 1 calc R . . . .
H7B H 0.6993 0.5398 0.3291 0.033 Uiso 1 1 calc R . . . .
O8 O 0.6430(4) 0.6965(2) 0.5555(4) 0.0141(16) Uani 1 1 d . U . . .
H8 H 0.6663 0.7092 0.5862 0.017 Uiso 1 1 calc R . . . .
N8 N 0.5698(5) 0.5615(3) 0.5997(5) 0.026(3) Uani 1 1 d . . . . .
H8A H 0.5755 0.5472 0.5640 0.031 Uiso 1 1 calc R . . . .
C8 C 0.7780(7) 0.4846(5) 0.3799(7) 0.034(4) Uani 1 1 d . . . . .
Dy9 Dy 0.56346(4) 0.64588(2) 0.58229(3) 0.0177(2) Uani 1 1 d D . . . .
C9 C 0.4052(7) 0.6472(6) 0.3813(8) 0.041(4) Uani 1 1 d . . . . .
O10 O 0.7889(4) 0.6621(3) 0.4452(4) 0.0162(17) Uani 1 1 d . U . . .
H10 H 0.7801 0.6821 0.4144 0.019 Uiso 1 1 calc R . . . .
N10 N 0.7386(6) 0.5211(4) 0.3999(5) 0.029(3) Uani 1 1 d . . . . .
H10A H 0.7220 0.5117 0.4353 0.035 Uiso 1 1 calc R . . . .
C10 C 0.4966(6) 0.7562(4) 0.3876(6) 0.019(3) Uani 1 1 d . U . . .
Dy11 Dy 0.55246(3) 0.65506(2) 0.41891(3) 0.0182(2) Uani 1 1 d D . . . .
C11 C 0.6254(7) 0.5502(5) 0.6331(7) 0.032(3) Uani 1 1 d . U . . .
H11A H 0.6339 0.5183 0.6305 0.038 Uiso 1 1 calc R . . . .
H11B H 0.6177 0.5574 0.6711 0.038 Uiso 1 1 calc R . . . .
O12 O 0.6686(4) 0.6141(3) 0.5895(4) 0.0213(19) Uani 1 1 d . U . . .
C12 C 0.5108(11) 0.5476(6) 0.6194(9) 0.058(2) Uani 1 1 d . U . . .
Dy13 Dy 0.81255(4) 0.58740(2) 0.41797(3) 0.0188(2) Uani 1 1 d D . . . .
C13 C 0.4459(7) 0.7270(5) 0.3651(7) 0.033(3) Uani 1 1 d . . . . .
H13A H 0.4550 0.7185 0.3277 0.040 Uiso 1 1 calc R . . . .
H13B H 0.4065 0.7427 0.3659 0.040 Uiso 1 1 calc R . . . .
O14 O 0.6437(4) 0.6942(3) 0.4442(4) 0.0171(17) Uani 1 1 d . U . . .
H14 H 0.6669 0.7063 0.4131 0.021 Uiso 1 1 calc R . . . .
C14 C 1.1065(8) 0.6892(5) 0.3793(7) 0.038(4) Uani 1 1 d . . . . .
Dy15 Dy 0.98331(4) 0.74514(2) 0.41834(3) 0.0198(2) Uani 1 1 d D . . . .
C15 C 0.9736(8) 0.6020(5) 0.6314(7) 0.039(4) Uani 1 1 d . . . . .
H15A H 1.0181 0.5972 0.6289 0.047 Uiso 1 1 calc R . . . .
H15B H 0.9615 0.5992 0.6695 0.047 Uiso 1 1 calc R . . . .
O16 O 0.9757(4) 0.7929(3) 0.4947(3) 0.0177(19) Uani 1 1 d . U . . .
H16 H 1.0032 0.8189 0.4922 0.021 Uiso 1 1 calc R . . . .
C16 C 0.9045(9) 0.4955(6) 0.5714(8) 0.0501(19) Uani 1 1 d . U . . .
H16A H 0.9311 0.4955 0.5394 0.060 Uiso 1 1 calc R . . . .
H16B H 0.8975 0.4646 0.5820 0.060 Uiso 1 1 calc R . . . .
C17 C 0.4639(9) 0.5587(5) 0.5748(7) 0.044(4) Uani 1 1 d D . . . .
H17A H 0.4693 0.5382 0.5444 0.053 Uiso 1 1 calc R . . . .
H17B H 0.4222 0.5549 0.5889 0.053 Uiso 1 1 calc R . . . .
O18 O 0.5413(5) 0.7373(3) 0.4106(4) 0.024(2) Uani 1 1 d . U . . .
C18 C 1.1359(7) 0.7170(6) 0.4250(8) 0.045(4) Uani 1 1 d D . . . .
H18A H 1.1488 0.6975 0.4547 0.054 Uiso 1 1 calc R . . . .
H18B H 1.1722 0.7327 0.4114 0.054 Uiso 1 1 calc R . . . .
C19 C 0.9374(9) 0.5204(6) 0.6182(9) 0.0501(18) Uani 1 1 d . U . . .
O20 O 0.7870(4) 0.6617(3) 0.5540(4) 0.0146(16) Uani 1 1 d . U . . .
H20 H 0.7780 0.6818 0.5847 0.017 Uiso 1 1 calc R . . . .
C20 C 1.0106(7) 0.6421(5) 0.3645(7) 0.033(3) Uani 1 1 d . . . . .
H20A H 1.0303 0.6129 0.3661 0.040 Uiso 1 1 calc R . . . .
H20B H 1.0098 0.6518 0.3267 0.040 Uiso 1 1 calc R . . . .
C21 C 1.1551(11) 0.6503(8) 0.3699(11) 0.074(6) Uani 1 1 d . U . . .
H21A H 1.1962 0.6629 0.3648 0.089 Uiso 1 1 calc R . . . .
H21B H 1.1562 0.6308 0.4017 0.089 Uiso 1 1 calc R . . . .
O22 O 0.5995(4) 0.6179(3) 0.4951(3) 0.0170(18) Uani 1 1 d . U . . .
H22 H 0.5985 0.5852 0.4923 0.020 Uiso 1 1 calc R . . . .
C22 C 0.4325(8) 0.6298(6) 0.3301(7) 0.044(4) Uani 1 1 d D . . . .
H22A H 0.4142 0.6011 0.3207 0.053 Uiso 1 1 calc R . . . .
H22B H 0.4251 0.6505 0.3003 0.053 Uiso 1 1 calc R . . . .
C23 C 0.4928(11) 0.5723(6) 0.6717(9) 0.058(2) Uani 1 1 d D U . . .
H23A H 0.4484 0.5700 0.6781 0.069 Uiso 1 1 calc R . . . .
H23B H 0.5145 0.5598 0.7029 0.069 Uiso 1 1 calc R . . . .
O24 O 0.8779(4) 0.7515(2) 0.4455(4) 0.0148(18) Uani 1 1 d . U . . .
H24 H 0.8490 0.7519 0.4145 0.018 Uiso 1 1 calc R . . . .
C24 C 1.0978(8) 0.7154(6) 0.3263(7) 0.045(4) Uani 1 1 d D . . . .
H24A H 1.1360 0.7304 0.3160 0.054 Uiso 1 1 calc R . . . .
H24B H 1.0852 0.6956 0.2969 0.054 Uiso 1 1 calc R . . . .
C25 C 0.3378(8) 0.6604(6) 0.3689(8) 0.044(4) Uani 1 1 d . U . . .
H25A H 0.3369 0.6807 0.3379 0.053 Uiso 1 1 calc R . . . .
H25B H 0.3143 0.6338 0.3592 0.053 Uiso 1 1 calc R . . . .
O26 O 0.9038(4) 0.6521(3) 0.5876(4) 0.0193(19) Uani 1 1 d . U . . .
C26 C 0.9019(9) 0.5201(6) 0.6723(8) 0.0499(19) Uani 1 1 d D U . . .
H26A H 0.8891 0.4899 0.6817 0.060 Uiso 1 1 calc R . . . .
H26B H 0.9275 0.5318 0.7016 0.060 Uiso 1 1 calc R . . . .
C27 C 0.5064(9) 0.4970(6) 0.6282(9) 0.059(2) Uani 1 1 d D U . . .
H27A H 0.5011 0.4826 0.5930 0.071 Uiso 1 1 calc R . . . .
H27B H 0.5453 0.4865 0.6435 0.071 Uiso 1 1 calc R . . . .
O28 O 0.8755(4) 0.6070(3) 0.4934(3) 0.0165(18) Uani 1 1 d . U . . .
H28 H 0.9182 0.5959 0.4903 0.020 Uiso 1 1 calc R . . . .
C28 C 1.0031(8) 0.4997(5) 0.6290(10) 0.0514(18) Uani 1 1 d . U . . .
H28A H 1.0301 0.5206 0.6479 0.062 Uiso 1 1 calc R . . . .
H28B H 1.0004 0.4720 0.6498 0.062 Uiso 1 1 calc R . . . .
C29 C 0.7374(9) 0.4403(5) 0.3667(8) 0.047(4) Uani 1 1 d . U . . .
H29A H 0.7093 0.4464 0.3366 0.056 Uiso 1 1 calc R . . . .
H29B H 0.7647 0.4160 0.3561 0.056 Uiso 1 1 calc R . . . .
O30 O 0.5279(4) 0.6886(3) 0.5060(3) 0.0163(18) Uani 1 1 d . U . . .
H30 H 0.4844 0.6977 0.5092 0.020 Uiso 1 1 calc R . . . .
C30 C 0.8102(9) 0.4991(6) 0.3284(8) 0.053(5) Uani 1 1 d D . . . .
H30A H 0.8404 0.4768 0.3172 0.063 Uiso 1 1 calc R . . . .
H30B H 0.7803 0.5030 0.2991 0.063 Uiso 1 1 calc R . . . .
O32 O 0.9951(5) 0.6789(3) 0.6157(4) 0.027(2) Uani 1 1 d . U . . .
O34 O 0.7336(5) 0.5611(3) 0.6183(4) 0.027(2) Uani 1 1 d . U . . .
O36 O 0.4693(5) 0.6064(3) 0.4481(5) 0.033(2) Uani 1 1 d D U . . .
H36 H 0.4723(13) 0.5800(18) 0.461(5) 0.050 Uiso 1 1 d DR . . . .
O38 O 0.8523(5) 0.5156(3) 0.4440(5) 0.036(2) Uani 1 1 d D U . . .
H38 H 0.876(5) 0.5096(8) 0.471(4) 0.054 Uiso 1 1 d DR . . . .
O40 O 0.6056(4) 0.5894(3) 0.3824(4) 0.030(2) Uani 1 1 d . U . . .
O42 O 0.4933(4) 0.7983(3) 0.3806(4) 0.025(2) Uani 1 1 d . U . . .
O44 O 0.9134(5) 0.6041(3) 0.3805(4) 0.028(2) Uani 1 1 d . U . . .
O46 O 0.8503(6) 0.5145(4) 0.5588(5) 0.045(3) Uani 1 1 d . U . . .
H46 H 0.8203 0.4977 0.5407 0.055 Uiso 1 1 calc R . . . .
O48 O 1.0900(6) 0.7495(3) 0.4450(6) 0.039(3) Uani 1 1 d D U . . .
H48 H 1.1091(11) 0.7740(10) 0.452(4) 0.059 Uiso 1 1 d DR . . . .
O50 O 0.4720(5) 0.6050(4) 0.5557(6) 0.044(3) Uani 1 1 d D U . . .
H50 H 0.439(3) 0.6159(15) 0.542(6) 0.066 Uiso 1 1 d DR . . . .
O52 O 0.8493(5) 0.5480(4) 0.6637(5) 0.045(3) Uani 1 1 d D U . . .
H52 H 0.8197(12) 0.537(3) 0.683(3) 0.067 Uiso 1 1 d DR . . . .
O54 O 0.5101(7) 0.6176(4) 0.6637(6) 0.058(2) Uani 1 1 d D U . . .
H54 H 0.485(4) 0.6340(9) 0.683(3) 0.086 Uiso 1 1 d DR . . . .
O56 O 1.0500(8) 0.7473(4) 0.3383(7) 0.065(4) Uani 1 1 d D U . . .
H56 H 1.060(4) 0.7718(10) 0.323(3) 0.097 Uiso 1 1 d DR . . . .
O58 O 0.8400(7) 0.5403(4) 0.3401(5) 0.054(3) Uani 1 1 d D U . . .
H58 H 0.857(5) 0.5492(17) 0.311(2) 0.080 Uiso 1 1 d DR . . . .
O60 O 0.4978(6) 0.6250(5) 0.3398(6) 0.054(3) Uani 1 1 d D U . . .
H60 H 0.5143(11) 0.621(4) 0.3087(14) 0.081 Uiso 1 1 d DR . . . .
O62 O 0.3091(9) 0.6822(7) 0.4165(9) 0.111(7) Uani 1 1 d . U . . .
H62 H 0.2719 0.6855 0.4109 0.166 Uiso 1 1 calc R . . . .
O64 O 0.7013(13) 0.4272(7) 0.4159(10) 0.128(8) Uani 1 1 d . U . . .
H64 H 0.6719 0.4114 0.4067 0.192 Uiso 1 1 calc GR . . . .
O66 O 1.1379(11) 0.6252(8) 0.3229(10) 0.126(7) Uani 1 1 d . U . . .
H66 H 1.1371 0.5984 0.3306 0.189 Uiso 1 1 calc R . . . .
O68 O 1.0234(7) 0.4918(4) 0.5737(6) 0.057(2) Uani 1 1 d . U . . .
H68 H 1.0263 0.4647 0.5684 0.085 Uiso 1 1 calc R . . . .
O70 O 0.4569(7) 0.4832(4) 0.6633(6) 0.063(2) Uani 1 1 d D U . . .
H70 H 0.4558 0.4995 0.6903 0.095 Uiso 1 1 calc GR . . . .
Cl5 Cl 0.6860(4) 0.6198(3) 0.2500 0.066(2) Uani 1 2 d S T P . .
Cl9 Cl 0.4025(8) 0.7500 0.5000 0.131(6) Uani 1 2 d S TU P . .
Cl7 Cl 0.8984(4) 0.6701(2) 0.2500 0.0604(18) Uani 1 2 d S T P . .
Cl2 Cl 1.0270(3) 0.60256(19) 0.4971(2) 0.0619(15) Uani 1 1 d . . . . .
Cl11 Cl 0.7622(14) 0.5343(10) 0.7500 0.285(15) Uani 1 2 d S T P . .
Cl6 Cl 0.5567(4) 0.74941(19) 0.7500 0.0524(17) Uani 1 2 d S T P . .
Cl3 Cl 0.6429(3) 0.51217(19) 0.5018(2) 0.0678(17) Uani 1 1 d . . . . .
Cl8 Cl 0.9023(4) 0.8311(3) 0.2500 0.069(2) Uani 1 2 d S T P . .
Cl10 Cl 0.7492(8) 0.7499(3) 0.3687(7) 0.166(6) Uani 1 1 d . . . . .
Cl4 Cl 0.6908(3) 0.6218(3) 0.7500 0.0580(17) Uani 1 2 d S T P . .


_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
Cl1 Dy2 3.212(4) . ?
Cl1 Dy2 3.212(4) 4_566 ?
Cl1 Dy5 3.194(11) 4_566 ?
Cl1 Dy5 3.194(11) . ?
O1W Dy11 2.477(13) . ?
C1 O6 1.280(15) . ?
C1 C20 1.518(18) . ?
C1 O44 1.247(17) . ?
Dy2 O2 2.360(9) . ?
Dy2 O4 2.516(9) . ?
Dy2 Dy7 3.7746(10) . ?
Dy2 O8 2.357(8) . ?
Dy2 Dy9 3.5969(11) . ?
Dy2 O10 2.346(9) . ?
Dy2 O12 2.517(9) . ?
Dy2 Dy13 3.6028(10) . ?
Dy2 O14 2.309(8) . ?
Dy2 O20 2.300(8) . ?
Dy2 O22 2.380(9) . ?
O2 H2 0.9800 . ?
O2 Dy7 2.403(8) . ?
O2 Dy13 2.410(8) . ?
O2W Dy9 2.477(12) . ?
N2 H2A 0.9800 . ?
N2 C9 1.505(19) . ?
N2 Dy11 2.561(11) . ?
N2 C13 1.504(18) . ?
C2 O4 1.264(16) . ?
C2 C7 1.520(17) . ?
C2 O40 1.236(17) . ?
Dy3 O8 2.315(8) . ?
Dy3 O8 2.315(8) 4_566 ?
Dy3 Dy9 3.7711(7) . ?
Dy3 Dy9 3.7711(7) 4_566 ?
Dy3 Dy11 3.5889(8) 4_566 ?
Dy3 Dy11 3.5889(8) . ?
Dy3 O14 2.374(8) . ?
Dy3 O14 2.374(9) 4_566 ?
Dy3 O18 2.526(10) 4_566 ?
Dy3 O18 2.526(10) . ?
Dy3 O30 2.366(9) 4_566 ?
Dy3 O30 2.366(9) . ?
O3W Dy7 2.486(11) . ?
C3 C15 1.494(17) . ?
C3 O26 1.291(15) . ?
C3 O32 1.246(16) . ?
O4 Dy13 2.481(9) . ?
O4W Dy15 2.464(14) . ?
N4 H4 0.9800 . ?
N4 C14 1.44(2) . ?
N4 Dy15 2.551(12) . ?
N4 C20 1.489(19) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C4 C9 1.54(2) . ?
C4 O36 1.413(19) . ?
Dy5 Dy5 3.7679(14) 4_566 ?
Dy5 O6 2.496(9) . ?
Dy5 Dy7 3.5944(10) . ?
Dy5 O10 2.294(8) . ?
Dy5 Dy15 3.6058(11) . ?
Dy5 O16 2.382(9) 4_566 ?
Dy5 O20 2.341(8) . ?
Dy5 O24 2.341(8) . ?
Dy5 O24 2.293(7) 4_566 ?
Dy5 O26 2.514(9) . ?
Dy5 O28 2.390(9) . ?
O5W Dy13 2.451(12) . ?
C5 C11 1.526(18) . ?
C5 O12 1.271(16) . ?
C5 O34 1.234(16) . ?
O6 Dy15 2.482(9) . ?
N6 H6 0.9800 . ?
N6 Dy7 2.541(15) . ?
N6 C15 1.49(2) . ?
N6 C19 1.51(2) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C6 C8 1.53(2) . ?
C6 O38 1.434(19) . ?
Dy7 O20 2.372(8) . ?
Dy7 O26 2.436(9) . ?
Dy7 O28 2.432(9) . ?
Dy7 O34 2.405(10) . ?
Dy7 O46 2.411(10) . ?
Dy7 O52 2.434(12) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 N10 1.460(18) . ?
O8 H8 0.9800 . ?
O8 Dy9 2.376(8) . ?
N8 H8A 0.9800 . ?
N8 Dy9 2.556(10) . ?
N8 C11 1.489(19) . ?
N8 C12 1.42(2) . ?
C8 N10 1.464(18) . ?
C8 C29 1.62(2) . ?
C8 C30 1.50(2) . ?
Dy9 O12 2.461(9) . ?
Dy9 O22 2.419(8) . ?
Dy9 O30 2.385(8) . ?
Dy9 O42 2.424(9) 4_566 ?
Dy9 O50 2.406(12) . ?
Dy9 O54 2.449(14) . ?
C9 C22 1.48(2) . ?
C9 C25 1.53(2) . ?
O10 H10 0.9800 . ?
O10 Dy13 2.381(8) . ?
N10 H10A 0.9800 . ?
N10 Dy13 2.576(13) . ?
C10 C13 1.501(18) . ?
C10 O18 1.249(17) . ?
C10 O42 1.271(15) . ?
Dy11 O14 2.368(8) . ?
Dy11 O18 2.472(9) . ?
Dy11 O22 2.393(9) . ?
Dy11 O30 2.414(9) . ?
Dy11 O36 2.414(10) . ?
Dy11 O40 2.437(10) . ?
Dy11 O60 2.436(13) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 C17 1.52(3) . ?
C12 C23 1.53(3) . ?
C12 C27 1.53(2) . ?
Dy13 O28 2.363(8) . ?
Dy13 O38 2.394(10) . ?
Dy13 O44 2.411(10) . ?
Dy13 O58 2.440(12) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
O14 H14 0.9800 . ?
C14 C18 1.53(2) . ?
C14 C21 1.58(3) . ?
C14 C24 1.52(2) . ?
Dy15 Dy5 3.7760(10) 4_566 ?
Dy15 O16 2.355(9) . ?
Dy15 O16 2.416(8) 4_566 ?
Dy15 O24 2.374(9) . ?
Dy15 O32 2.426(9) 4_566 ?
Dy15 O48 2.392(12) . ?
Dy15 O56 2.430(17) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
O16 Dy5 2.381(9) 4_566 ?
O16 Dy15 2.416(9) 4_566 ?
O16 H16 0.9800 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 C19 1.54(3) . ?
C16 O46 1.34(2) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C17 O50 1.468(19) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 O48 1.47(2) . ?
C19 C26 1.53(3) . ?
C19 C28 1.57(2) . ?
O20 H20 0.9800 . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C21 O66 1.42(3) . ?
O22 H22 0.9800 . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C22 O60 1.44(2) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C23 O54 1.42(2) . ?
O24 Dy5 2.293(7) 4_566 ?
O24 H24 0.9800 . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C24 O56 1.43(2) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C25 O62 1.47(3) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C26 O52 1.42(2) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C27 O70 1.431(15) . ?
O28 H28 0.9800 . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C28 O68 1.44(3) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C29 O64 1.48(3) . ?
O30 H30 0.9800 . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C30 O58 1.42(2) . ?
O32 Dy15 2.426(9) 4_566 ?
O36 H36 0.853(10) . ?
O38 H38 0.856(10) . ?
O42 Dy9 2.424(9) 4_566 ?
O46 H46 0.9300 . ?
O48 H48 0.854(10) . ?
O50 H50 0.852(10) . ?
O52 H52 0.861(10) . ?
O54 H54 0.858(10) . ?
O56 H56 0.852(10) . ?
O58 H58 0.852(10) . ?
O60 H60 0.851(10) . ?
O62 H62 0.8200 . ?
O64 H64 0.8200 . ?
O66 H66 0.8200 . ?
O68 H68 0.8200 . ?
O70 H70 0.8200 . ?

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
Dy2 Cl1 Dy2 142.8(5) . 4_566 ?
Dy5 Cl1 Dy2 144.7(4) . 4_566 ?
Dy5 Cl1 Dy2 144.7(4) 4_566 . ?
Dy5 Cl1 Dy2 72.44(9) . . ?
Dy5 Cl1 Dy2 72.44(9) 4_566 4_566 ?
Dy5 Cl1 Dy5 72.3(3) 4_566 . ?
O6 C1 C20 115.7(12) . . ?
O44 C1 O6 123.2(12) . . ?
O44 C1 C20 121.2(11) . . ?
Cl1 Dy2 Dy7 101.06(19) . . ?
Cl1 Dy2 Dy9 106.25(19) . . ?
Cl1 Dy2 Dy13 105.29(19) . . ?
O2 Dy2 Cl1 129.0(3) . . ?
O2 Dy2 O4 67.9(3) . . ?
O2 Dy2 Dy7 37.98(19) . . ?
O2 Dy2 Dy9 113.6(2) . . ?
O2 Dy2 O12 76.7(3) . . ?
O2 Dy2 Dy13 41.5(2) . . ?
O2 Dy2 O22 100.4(3) . . ?
O4 Dy2 Cl1 118.9(2) . . ?
O4 Dy2 Dy7 103.9(2) . . ?
O4 Dy2 Dy9 117.7(2) . . ?
O4 Dy2 O12 123.1(3) . . ?
O4 Dy2 Dy13 43.5(2) . . ?
O8 Dy2 Cl1 65.7(3) . . ?
O8 Dy2 O2 141.0(3) . . ?
O8 Dy2 O4 143.3(3) . . ?
O8 Dy2 Dy7 110.9(2) . . ?
O8 Dy2 Dy9 40.7(2) . . ?
O8 Dy2 O12 65.9(3) . . ?
O8 Dy2 Dy13 170.2(2) . . ?
O8 Dy2 O22 76.3(3) . . ?
Dy9 Dy2 Dy7 107.08(2) . . ?
Dy9 Dy2 Dy13 148.45(3) . . ?
O10 Dy2 Cl1 64.8(3) . . ?
O10 Dy2 O2 75.7(3) . . ?
O10 Dy2 O4 66.9(3) . . ?
O10 Dy2 Dy7 78.8(2) . . ?
O10 Dy2 O8 130.4(3) . . ?
O10 Dy2 Dy9 170.5(2) . . ?
O10 Dy2 O12 142.9(3) . . ?
O10 Dy2 Dy13 40.70(19) . . ?
O10 Dy2 O22 141.3(3) . . ?
O12 Dy2 Cl1 118.1(2) . . ?
O12 Dy2 Dy7 64.2(2) . . ?
O12 Dy2 Dy9 43.1(2) . . ?
O12 Dy2 Dy13 118.2(2) . . ?
Dy13 Dy2 Dy7 66.02(2) . . ?
O14 Dy2 Cl1 66.8(3) . . ?
O14 Dy2 O2 145.4(3) . . ?
O14 Dy2 O4 77.6(3) . . ?
O14 Dy2 Dy7 166.0(2) . . ?
O14 Dy2 O8 71.5(3) . . ?
O14 Dy2 Dy9 83.8(2) . . ?
O14 Dy2 O10 89.3(3) . . ?
O14 Dy2 O12 126.9(3) . . ?
O14 Dy2 Dy13 109.2(2) . . ?
O14 Dy2 O22 72.1(3) . . ?
O20 Dy2 Cl1 64.9(3) . . ?
O20 Dy2 O2 72.2(3) . . ?
O20 Dy2 O4 126.6(3) . . ?
O20 Dy2 Dy7 36.76(19) . . ?
O20 Dy2 O8 89.3(3) . . ?
O20 Dy2 Dy9 110.0(2) . . ?
O20 Dy2 O10 69.9(3) . . ?
O20 Dy2 O12 78.3(3) . . ?
O20 Dy2 Dy13 83.2(2) . . ?
O20 Dy2 O14 131.7(3) . . ?
O20 Dy2 O22 146.6(3) . . ?
O22 Dy2 Cl1 130.6(3) . . ?
O22 Dy2 O4 75.9(3) . . ?
O22 Dy2 Dy7 121.8(2) . . ?
O22 Dy2 Dy9 41.9(2) . . ?
O22 Dy2 O12 68.3(3) . . ?
O22 Dy2 Dy13 113.4(2) . . ?
Dy2 O2 H2 113.1 . . ?
Dy2 O2 Dy7 104.9(3) . . ?
Dy2 O2 Dy13 98.1(3) . . ?
Dy7 O2 H2 113.1 . . ?
Dy7 O2 Dy13 113.3(3) . . ?
Dy13 O2 H2 113.1 . . ?
C9 N2 H2A 107.3 . . ?
C9 N2 Dy11 106.2(8) . . ?
Dy11 N2 H2A 107.3 . . ?
C13 N2 H2A 107.3 . . ?
C13 N2 C9 117.1(12) . . ?
C13 N2 Dy11 111.2(8) . . ?
O4 C2 C7 115.7(12) . . ?
O40 C2 O4 124.3(12) . . ?
O40 C2 C7 119.9(12) . . ?
O8 Dy3 O8 129.6(4) 4_566 . ?
O8 Dy3 Dy9 37.0(2) 4_566 4_566 ?
O8 Dy3 Dy9 164.2(2) . 4_566 ?
O8 Dy3 Dy9 164.2(2) 4_566 . ?
O8 Dy3 Dy9 37.0(2) . . ?
O8 Dy3 Dy11 84.0(2) . . ?
O8 Dy3 Dy11 84.0(2) 4_566 4_566 ?
O8 Dy3 Dy11 109.5(2) . 4_566 ?
O8 Dy3 Dy11 109.5(2) 4_566 . ?
O8 Dy3 O14 88.0(3) 4_566 . ?
O8 Dy3 O14 88.0(3) . 4_566 ?
O8 Dy3 O14 71.0(3) . . ?
O8 Dy3 O14 71.0(3) 4_566 4_566 ?
O8 Dy3 O18 78.4(3) 4_566 . ?
O8 Dy3 O18 127.5(3) 4_566 4_566 ?
O8 Dy3 O18 78.4(3) . 4_566 ?
O8 Dy3 O18 127.5(3) . . ?
O8 Dy3 O30 72.5(3) . . ?
O8 Dy3 O30 146.9(3) . 4_566 ?
O8 Dy3 O30 72.5(3) 4_566 4_566 ?
O8 Dy3 O30 146.9(3) 4_566 . ?
Dy9 Dy3 Dy9 157.78(4) 4_566 . ?
Dy11 Dy3 Dy9 66.055(18) 4_566 4_566 ?
Dy11 Dy3 Dy9 107.60(2) 4_566 . ?
Dy11 Dy3 Dy9 66.054(18) . . ?
Dy11 Dy3 Dy9 107.60(2) . 4_566 ?
Dy11 Dy3 Dy11 148.85(4) . 4_566 ?
O14 Dy3 Dy9 110.6(2) 4_566 . ?
O14 Dy3 Dy9 79.1(2) 4_566 4_566 ?
O14 Dy3 Dy9 79.1(2) . . ?
O14 Dy3 Dy9 110.6(2) . 4_566 ?
O14 Dy3 Dy11 40.7(2) 4_566 4_566 ?
O14 Dy3 Dy11 169.8(2) 4_566 . ?
O14 Dy3 Dy11 169.8(2) . 4_566 ?
O14 Dy3 Dy11 40.7(2) . . ?
O14 Dy3 O14 130.1(4) 4_566 . ?
O14 Dy3 O18 143.6(3) . 4_566 ?
O14 Dy3 O18 143.5(3) 4_566 . ?
O14 Dy3 O18 66.3(3) 4_566 4_566 ?
O14 Dy3 O18 66.3(3) . . ?
O18 Dy3 Dy9 64.5(2) . 4_566 ?
O18 Dy3 Dy9 104.3(2) 4_566 4_566 ?
O18 Dy3 Dy9 104.3(2) . . ?
O18 Dy3 Dy9 64.5(2) 4_566 . ?
O18 Dy3 Dy11 118.0(2) . 4_566 ?
O18 Dy3 Dy11 43.5(2) . . ?
O18 Dy3 Dy11 43.5(2) 4_566 4_566 ?
O18 Dy3 Dy11 118.0(2) 4_566 . ?
O18 Dy3 O18 123.0(5) 4_566 . ?
O30 Dy3 Dy9 37.7(2) 4_566 4_566 ?
O30 Dy3 Dy9 123.3(2) . 4_566 ?
O30 Dy3 Dy9 123.3(2) 4_566 . ?
O30 Dy3 Dy9 37.7(2) . . ?
O30 Dy3 Dy11 114.0(2) 4_566 . ?
O30 Dy3 Dy11 41.8(2) 4_566 4_566 ?
O30 Dy3 Dy11 114.0(2) . 4_566 ?
O30 Dy3 Dy11 41.8(2) . . ?
O30 Dy3 O14 76.1(3) . . ?
O30 Dy3 O14 76.1(3) 4_566 4_566 ?
O30 Dy3 O14 140.6(3) 4_566 . ?
O30 Dy3 O14 140.6(3) . 4_566 ?
O30 Dy3 O18 76.2(3) 4_566 . ?
O30 Dy3 O18 76.2(3) . 4_566 ?
O30 Dy3 O18 68.7(3) 4_566 4_566 ?
O30 Dy3 O18 68.7(3) . . ?
O30 Dy3 O30 101.8(4) 4_566 . ?
O26 C3 C15 117.0(12) . . ?
O32 C3 C15 119.7(12) . . ?
O32 C3 O26 123.2(11) . . ?
C2 O4 Dy2 133.2(8) . . ?
C2 O4 Dy13 123.6(8) . . ?
Dy13 O4 Dy2 92.3(3) . . ?
C14 N4 H4 106.0 . . ?
C14 N4 Dy15 107.1(9) . . ?
C14 N4 C20 119.2(12) . . ?
Dy15 N4 H4 106.0 . . ?
C20 N4 H4 106.0 . . ?
C20 N4 Dy15 111.7(9) . . ?
H4A C4 H4B 107.8 . . ?
C9 C4 H4A 109.0 . . ?
C9 C4 H4B 109.0 . . ?
O36 C4 H4A 109.0 . . ?
O36 C4 H4B 109.0 . . ?
O36 C4 C9 113.1(12) . . ?
Cl1 Dy5 Dy5 53.85(15) . 4_566 ?
Cl1 Dy5 Dy7 105.39(12) . . ?
Cl1 Dy5 Dy15 105.70(12) . . ?
O6 Dy5 Cl1 119.0(2) . . ?
O6 Dy5 Dy5 99.5(2) . 4_566 ?
O6 Dy5 Dy7 118.6(2) . . ?
O6 Dy5 Dy15 43.4(2) . . ?
O6 Dy5 O26 122.4(3) . . ?
Dy7 Dy5 Dy5 141.66(3) . 4_566 ?
Dy7 Dy5 Dy15 148.88(3) . . ?
O10 Dy5 Cl1 65.5(2) . . ?
O10 Dy5 Dy5 109.1(2) . 4_566 ?
O10 Dy5 O6 79.3(3) . . ?
O10 Dy5 Dy7 83.4(2) . . ?
O10 Dy5 Dy15 110.7(2) . . ?
O10 Dy5 O16 147.5(3) . 4_566 ?
O10 Dy5 O20 70.1(3) . . ?
O10 Dy5 O24 90.2(3) . . ?
O10 Dy5 O26 126.0(3) . . ?
O10 Dy5 O28 71.9(3) . . ?
Dy15 Dy5 Dy5 61.560(19) . 4_566 ?
O16 Dy5 Cl1 129.0(3) 4_566 . ?
O16 Dy5 Dy5 75.2(2) 4_566 4_566 ?
O16 Dy5 O6 68.3(3) 4_566 . ?
O16 Dy5 Dy7 113.7(2) 4_566 . ?
O16 Dy5 Dy15 41.6(2) 4_566 . ?
O16 Dy5 O26 76.3(3) 4_566 . ?
O16 Dy5 O28 101.6(3) 4_566 . ?
O20 Dy5 Cl1 64.9(2) . . ?
O20 Dy5 Dy5 108.3(2) . 4_566 ?
O20 Dy5 O6 143.8(3) . . ?
O20 Dy5 Dy7 40.63(19) . . ?
O20 Dy5 Dy15 169.7(2) . . ?
O20 Dy5 O16 140.7(3) . 4_566 ?
O20 Dy5 O24 130.3(3) . . ?
O20 Dy5 O26 66.4(3) . . ?
O20 Dy5 O28 76.1(3) . . ?
O24 Dy5 Cl1 65.8(3) 4_566 . ?
O24 Dy5 Cl1 65.4(2) . . ?
O24 Dy5 Dy5 35.2(2) . 4_566 ?
O24 Dy5 Dy5 36.0(2) 4_566 4_566 ?
O24 Dy5 O6 66.7(3) . . ?
O24 Dy5 O6 126.5(3) 4_566 . ?
O24 Dy5 Dy7 170.5(2) . . ?
O24 Dy5 Dy7 108.8(2) 4_566 . ?
O24 Dy5 O10 131.3(3) 4_566 . ?
O24 Dy5 Dy15 40.5(2) . . ?
O24 Dy5 Dy15 83.1(2) 4_566 . ?
O24 Dy5 O16 71.2(3) 4_566 4_566 ?
O24 Dy5 O16 75.3(3) . 4_566 ?
O24 Dy5 O20 88.9(3) 4_566 . ?
O24 Dy5 O24 70.4(4) 4_566 . ?
O24 Dy5 O26 142.9(3) . . ?
O24 Dy5 O26 78.2(3) 4_566 . ?
O24 Dy5 O28 141.5(3) . . ?
O24 Dy5 O28 146.1(3) 4_566 . ?
O26 Dy5 Cl1 118.6(2) . . ?
O26 Dy5 Dy5 113.7(2) . 4_566 ?
O26 Dy5 Dy7 42.6(2) . . ?
O26 Dy5 Dy15 117.9(2) . . ?
O28 Dy5 Cl1 129.5(3) . . ?
O28 Dy5 Dy5 175.6(2) . 4_566 ?
O28 Dy5 O6 76.4(3) . . ?
O28 Dy5 Dy7 42.3(2) . . ?
O28 Dy5 Dy15 114.1(2) . . ?
O28 Dy5 O26 67.9(3) . . ?
O12 C5 C11 115.8(12) . . ?
O34 C5 C11 118.9(12) . . ?
O34 C5 O12 125.4(12) . . ?
C1 O6 Dy5 134.3(8) . . ?
C1 O6 Dy15 123.9(8) . . ?
Dy15 O6 Dy5 92.8(3) . . ?
Dy7 N6 H6 107.0 . . ?
C15 N6 H6 107.0 . . ?
C15 N6 Dy7 111.0(10) . . ?
C15 N6 C19 118.3(15) . . ?
C19 N6 H6 107.0 . . ?
C19 N6 Dy7 105.9(11) . . ?
H6A C6 H6B 108.2 . . ?
C8 C6 H6A 109.7 . . ?
C8 C6 H6B 109.7 . . ?
O38 C6 H6A 109.7 . . ?
O38 C6 H6B 109.7 . . ?
O38 C6 C8 110.0(12) . . ?
O2 Dy7 Dy2 37.2(2) . . ?
O2 Dy7 O3W 125.6(4) . . ?
O2 Dy7 Dy5 79.1(2) . . ?
O2 Dy7 N6 131.6(4) . . ?
O2 Dy7 O26 123.3(3) . . ?
O2 Dy7 O28 65.4(3) . . ?
O2 Dy7 O34 74.2(3) . . ?
O2 Dy7 O46 79.4(4) . . ?
O2 Dy7 O52 133.7(4) . . ?
O3W Dy7 Dy2 92.7(3) . . ?
O3W Dy7 Dy5 95.6(3) . . ?
O3W Dy7 N6 102.7(5) . . ?
Dy5 Dy7 Dy2 61.76(2) . . ?
N6 Dy7 Dy2 152.8(4) . . ?
N6 Dy7 Dy5 94.2(4) . . ?
O20 Dy7 Dy2 35.48(19) . . ?
O20 Dy7 O2 70.2(3) . . ?
O20 Dy7 O3W 72.0(4) . . ?
O20 Dy7 Dy5 40.0(2) . . ?
O20 Dy7 N6 130.0(4) . . ?
O20 Dy7 O26 67.2(3) . . ?
O20 Dy7 O28 74.7(3) . . ?
O20 Dy7 O34 97.0(3) . . ?
O20 Dy7 O46 148.0(4) . . ?
O20 Dy7 O52 140.9(4) . . ?
O26 Dy7 Dy2 100.6(2) . . ?
O26 Dy7 O3W 72.7(4) . . ?
O26 Dy7 Dy5 44.3(2) . . ?
O26 Dy7 N6 64.0(4) . . ?
O28 Dy7 Dy2 75.4(2) . . ?
O28 Dy7 O3W 136.1(4) . . ?
O28 Dy7 Dy5 41.4(2) . . ?
O28 Dy7 N6 78.0(4) . . ?
O28 Dy7 O26 68.5(3) . . ?
O28 Dy7 O52 139.1(3) . . ?
O34 Dy7 Dy2 75.8(2) . . ?
O34 Dy7 O3W 73.2(4) . . ?
O34 Dy7 Dy5 135.6(2) . . ?
O34 Dy7 N6 130.0(4) . . ?
O34 Dy7 O26 145.5(3) . . ?
O34 Dy7 O28 139.2(3) . . ?
O34 Dy7 O46 83.9(4) . . ?
O34 Dy7 O52 69.4(4) . . ?
O46 Dy7 Dy2 116.3(3) . . ?
O46 Dy7 O3W 137.3(5) . . ?
O46 Dy7 Dy5 125.1(3) . . ?
O46 Dy7 N6 65.6(5) . . ?
O46 Dy7 O26 126.1(4) . . ?
O46 Dy7 O28 83.8(4) . . ?
O46 Dy7 O52 69.3(4) . . ?
O52 Dy7 Dy2 144.0(3) . . ?
O52 Dy7 O3W 69.0(4) . . ?
O52 Dy7 Dy5 147.1(3) . . ?
O52 Dy7 N6 63.1(5) . . ?
O52 Dy7 O26 102.8(4) . . ?
C2 C7 H7A 109.7 . . ?
C2 C7 H7B 109.7 . . ?
H7A C7 H7B 108.2 . . ?
N10 C7 C2 109.7(10) . . ?
N10 C7 H7A 109.7 . . ?
N10 C7 H7B 109.7 . . ?
Dy2 O8 H8 113.8 . . ?
Dy2 O8 Dy9 98.9(3) . . ?
Dy3 O8 Dy2 108.3(4) . . ?
Dy3 O8 H8 113.8 . . ?
Dy3 O8 Dy9 107.0(3) . . ?
Dy9 O8 H8 113.8 . . ?
Dy9 N8 H8A 106.7 . . ?
C11 N8 H8A 106.7 . . ?
C11 N8 Dy9 111.0(7) . . ?
C12 N8 H8A 106.7 . . ?
C12 N8 Dy9 107.3(10) . . ?
C12 N8 C11 117.8(14) . . ?
C6 C8 C29 109.8(13) . . ?
N10 C8 C6 105.8(12) . . ?
N10 C8 C29 111.1(12) . . ?
N10 C8 C30 109.5(13) . . ?
C30 C8 C6 112.0(14) . . ?
C30 C8 C29 108.5(14) . . ?
Dy2 Dy9 Dy3 61.80(2) . . ?
O2W Dy9 Dy2 94.9(3) . . ?
O2W Dy9 Dy3 92.7(3) . . ?
O2W Dy9 N8 101.8(4) . . ?
O8 Dy9 Dy2 40.33(19) . . ?
O8 Dy9 O2W 70.8(4) . . ?
O8 Dy9 Dy3 35.95(18) . . ?
O8 Dy9 N8 129.3(3) . . ?
O8 Dy9 O12 66.5(3) . . ?
O8 Dy9 O22 75.2(3) . . ?
O8 Dy9 O30 71.1(3) . . ?
O8 Dy9 O42 96.7(3) . 4_566 ?
O8 Dy9 O50 146.9(4) . . ?
O8 Dy9 O54 141.4(4) . . ?
N8 Dy9 Dy2 93.8(3) . . ?
N8 Dy9 Dy3 152.8(3) . . ?
O12 Dy9 Dy2 44.3(2) . . ?
O12 Dy9 O2W 71.1(4) . . ?
O12 Dy9 Dy3 100.3(2) . . ?
O12 Dy9 N8 63.9(3) . . ?
O22 Dy9 Dy2 41.0(2) . . ?
O22 Dy9 O2W 134.9(4) . . ?
O22 Dy9 Dy3 75.6(2) . . ?
O22 Dy9 N8 77.9(4) . . ?
O22 Dy9 O12 68.6(3) . . ?
O22 Dy9 O42 140.1(3) . 4_566 ?
O22 Dy9 O54 138.6(4) . . ?
O30 Dy9 Dy2 79.6(2) . . ?
O30 Dy9 O2W 125.7(4) . . ?
O30 Dy9 Dy3 37.3(2) . . ?
O30 Dy9 N8 132.3(4) . . ?
O30 Dy9 O12 123.9(3) . . ?
O30 Dy9 O22 66.2(3) . . ?
O30 Dy9 O42 74.1(3) . 4_566 ?
O30 Dy9 O50 78.2(4) . . ?
O30 Dy9 O54 132.0(4) . . ?
O42 Dy9 Dy2 135.6(2) 4_566 . ?
O42 Dy9 O2W 73.5(4) 4_566 . ?
O42 Dy9 Dy3 75.8(2) 4_566 . ?
O42 Dy9 N8 130.3(3) 4_566 . ?
O42 Dy9 O12 144.2(3) 4_566 . ?
O42 Dy9 O54 68.8(4) 4_566 . ?
O50 Dy9 Dy2 122.4(3) . . ?
O50 Dy9 O2W 140.4(5) . . ?
O50 Dy9 Dy3 115.5(3) . . ?
O50 Dy9 N8 65.8(4) . . ?
O50 Dy9 O12 125.3(4) . . ?
O50 Dy9 O22 81.4(4) . . ?
O50 Dy9 O42 86.5(4) . 4_566 ?
O50 Dy9 O54 70.2(5) . . ?
O54 Dy9 Dy2 148.2(4) . . ?
O54 Dy9 O2W 70.8(5) . . ?
O54 Dy9 Dy3 143.9(3) . . ?
O54 Dy9 N8 63.3(4) . . ?
O54 Dy9 O12 103.9(4) . . ?
N2 C9 C4 105.0(13) . . ?
N2 C9 C25 112.6(13) . . ?
C22 C9 N2 109.0(14) . . ?
C22 C9 C4 111.5(15) . . ?
C22 C9 C25 107.4(14) . . ?
C25 C9 C4 111.4(15) . . ?
Dy2 O10 H10 113.2 . . ?
Dy2 O10 Dy13 99.3(3) . . ?
Dy5 O10 Dy2 109.3(4) . . ?
Dy5 O10 H10 113.2 . . ?
Dy5 O10 Dy13 107.5(3) . . ?
Dy13 O10 H10 113.2 . . ?
C7 N10 C8 119.1(11) . . ?
C7 N10 H10A 107.1 . . ?
C7 N10 Dy13 110.2(8) . . ?
C8 N10 H10A 107.1 . . ?
C8 N10 Dy13 105.6(9) . . ?
Dy13 N10 H10A 107.1 . . ?
O18 C10 C13 117.7(11) . . ?
O18 C10 O42 123.3(12) . . ?
O42 C10 C13 119.0(12) . . ?
O1W Dy11 Dy2 94.0(4) . . ?
O1W Dy11 N2 99.7(4) . . ?
O1W Dy11 Dy3 96.5(3) . . ?
N2 Dy11 Dy2 152.7(3) . . ?
N2 Dy11 Dy3 93.2(3) . . ?
Dy3 Dy11 Dy2 61.74(2) . . ?
O14 Dy11 O1W 72.5(4) . . ?
O14 Dy11 Dy2 35.46(19) . . ?
O14 Dy11 N2 128.8(3) . . ?
O14 Dy11 Dy3 40.9(2) . . ?
O14 Dy11 O18 67.3(3) . . ?
O14 Dy11 O22 70.9(3) . . ?
O14 Dy11 O30 75.3(3) . . ?
O14 Dy11 O36 146.6(4) . . ?
O14 Dy11 O40 95.8(3) . . ?
O14 Dy11 O60 142.2(4) . . ?
O18 Dy11 O1W 71.7(4) . . ?
O18 Dy11 Dy2 100.5(2) . . ?
O18 Dy11 N2 62.5(3) . . ?
O18 Dy11 Dy3 44.7(2) . . ?
O22 Dy11 O1W 126.7(4) . . ?
O22 Dy11 Dy2 37.4(2) . . ?
O22 Dy11 N2 133.5(4) . . ?
O22 Dy11 Dy3 79.7(2) . . ?
O22 Dy11 O18 124.3(3) . . ?
O22 Dy11 O30 66.2(3) . . ?
O22 Dy11 O36 78.8(3) . . ?
O22 Dy11 O40 73.5(3) . . ?
O22 Dy11 O60 130.8(4) . . ?
O30 Dy11 O1W 136.2(4) . . ?
O30 Dy11 Dy2 75.3(2) . . ?
O30 Dy11 N2 78.5(4) . . ?
O30 Dy11 Dy3 40.8(2) . . ?
O30 Dy11 O18 68.9(3) . . ?
O30 Dy11 O36 79.9(4) . . ?
O30 Dy11 O40 139.4(3) . . ?
O30 Dy11 O60 138.5(4) . . ?
O36 Dy11 O1W 139.6(4) . . ?
O36 Dy11 Dy2 116.2(3) . . ?
O36 Dy11 N2 65.6(3) . . ?
O36 Dy11 Dy3 120.7(3) . . ?
O36 Dy11 O18 123.3(3) . . ?
O36 Dy11 O40 88.5(3) . . ?
O36 Dy11 O60 69.8(4) . . ?
O40 Dy11 O1W 73.2(4) . . ?
O40 Dy11 Dy2 75.4(2) . . ?
O40 Dy11 N2 131.2(4) . . ?
O40 Dy11 Dy3 135.2(2) . . ?
O40 Dy11 O18 144.3(3) . . ?
O60 Dy11 O1W 70.0(5) . . ?
O60 Dy11 Dy2 143.7(3) . . ?
O60 Dy11 N2 63.6(4) . . ?
O60 Dy11 Dy3 149.2(3) . . ?
O60 Dy11 O18 104.6(4) . . ?
O60 Dy11 O40 68.9(4) . . ?
C5 C11 H11A 109.8 . . ?
C5 C11 H11B 109.8 . . ?
N8 C11 C5 109.3(11) . . ?
N8 C11 H11A 109.8 . . ?
N8 C11 H11B 109.8 . . ?
H11A C11 H11B 108.3 . . ?
C5 O12 Dy2 132.1(9) . . ?
C5 O12 Dy9 124.3(8) . . ?
Dy9 O12 Dy2 92.5(3) . . ?
N8 C12 C17 106.5(16) . . ?
N8 C12 C23 111.7(17) . . ?
N8 C12 C27 113.0(17) . . ?
C17 C12 C23 109.1(19) . . ?
C17 C12 C27 106.0(17) . . ?
C27 C12 C23 110.2(17) . . ?
Dy2 Dy13 Dy5 61.72(2) . . ?
O2 Dy13 Dy2 40.4(2) . . ?
O2 Dy13 O4 67.7(3) . . ?
O2 Dy13 Dy5 75.31(19) . . ?
O2 Dy13 O5W 135.4(4) . . ?
O2 Dy13 N10 78.7(3) . . ?
O2 Dy13 O44 140.5(3) . . ?
O2 Dy13 O58 139.2(3) . . ?
O4 Dy13 Dy2 44.2(2) . . ?
O4 Dy13 Dy5 100.35(19) . . ?
O4 Dy13 N10 63.4(3) . . ?
O5W Dy13 Dy2 96.3(3) . . ?
O5W Dy13 O4 71.9(4) . . ?
O5W Dy13 Dy5 94.6(3) . . ?
O5W Dy13 N10 99.5(4) . . ?
O10 Dy13 Dy2 40.0(2) . . ?
O10 Dy13 O2 74.1(3) . . ?
O10 Dy13 O4 67.0(3) . . ?
O10 Dy13 Dy5 35.5(2) . . ?
O10 Dy13 O5W 73.5(4) . . ?
O10 Dy13 N10 129.3(3) . . ?
O10 Dy13 O38 147.1(4) . . ?
O10 Dy13 O44 96.1(3) . . ?
O10 Dy13 O58 144.0(4) . . ?
N10 Dy13 Dy2 94.0(3) . . ?
N10 Dy13 Dy5 153.3(3) . . ?
O28 Dy13 Dy2 79.7(2) . . ?
O28 Dy13 O2 66.3(3) . . ?
O28 Dy13 O4 123.9(3) . . ?
O28 Dy13 Dy5 37.7(2) . . ?
O28 Dy13 O5W 127.7(4) . . ?
O28 Dy13 O10 70.9(3) . . ?
O28 Dy13 N10 132.7(4) . . ?
O28 Dy13 O38 78.9(3) . . ?
O28 Dy13 O44 74.3(3) . . ?
O28 Dy13 O58 127.8(4) . . ?
O38 Dy13 Dy2 122.5(3) . . ?
O38 Dy13 O2 82.2(4) . . ?
O38 Dy13 O4 124.0(3) . . ?
O38 Dy13 Dy5 116.6(3) . . ?
O38 Dy13 O5W 138.0(4) . . ?
O38 Dy13 N10 65.2(4) . . ?
O38 Dy13 O44 87.9(4) . . ?
O38 Dy13 O58 66.8(4) . . ?
O44 Dy13 Dy2 134.9(2) . . ?
O44 Dy13 O4 144.0(3) . . ?
O44 Dy13 Dy5 75.4(2) . . ?
O44 Dy13 O5W 72.8(4) . . ?
O44 Dy13 N10 130.5(3) . . ?
O44 Dy13 O58 66.6(4) . . ?
O58 Dy13 Dy2 152.1(4) . . ?
O58 Dy13 O4 108.0(4) . . ?
O58 Dy13 Dy5 141.8(3) . . ?
O58 Dy13 O5W 71.3(5) . . ?
O58 Dy13 N10 64.8(4) . . ?
N2 C13 H13A 110.5 . . ?
N2 C13 H13B 110.5 . . ?
C10 C13 N2 106.3(12) . . ?
C10 C13 H13A 110.5 . . ?
C10 C13 H13B 110.5 . . ?
H13A C13 H13B 108.7 . . ?
Dy2 O14 Dy3 107.9(4) . . ?
Dy2 O14 Dy11 108.0(3) . . ?
Dy2 O14 H14 113.8 . . ?
Dy3 O14 H14 113.8 . . ?
Dy11 O14 Dy3 98.4(3) . . ?
Dy11 O14 H14 113.8 . . ?
N4 C14 C18 107.6(14) . . ?
N4 C14 C21 114.9(15) . . ?
N4 C14 C24 108.3(14) . . ?
C18 C14 C21 103.3(15) . . ?
C24 C14 C18 113.3(15) . . ?
C24 C14 C21 109.5(16) . . ?
O4W Dy15 N4 99.5(4) . . ?
O4W Dy15 Dy5 93.9(4) . 4_566 ?
O4W Dy15 Dy5 96.3(3) . . ?
O4W Dy15 O6 72.7(3) . . ?
N4 Dy15 Dy5 94.3(3) . . ?
N4 Dy15 Dy5 153.4(3) . 4_566 ?
Dy5 Dy15 Dy5 61.33(2) . 4_566 ?
O6 Dy15 N4 63.4(3) . . ?
O6 Dy15 Dy5 43.7(2) . . ?
O6 Dy15 Dy5 99.6(2) . 4_566 ?
O16 Dy15 O4W 126.8(4) . . ?
O16 Dy15 O4W 136.2(4) 4_566 . ?
O16 Dy15 N4 133.6(4) . . ?
O16 Dy15 N4 79.8(4) 4_566 . ?
O16 Dy15 Dy5 74.7(2) 4_566 4_566 ?
O16 Dy15 Dy5 37.4(2) . 4_566 ?
O16 Dy15 Dy5 40.9(2) 4_566 . ?
O16 Dy15 Dy5 79.0(2) . . ?
O16 Dy15 O6 68.0(3) 4_566 . ?
O16 Dy15 O6 122.6(3) . . ?
O16 Dy15 O16 65.2(4) . 4_566 ?
O16 Dy15 O24 70.3(3) . . ?
O16 Dy15 O32 138.3(3) 4_566 4_566 ?
O16 Dy15 O32 73.5(3) . 4_566 ?
O16 Dy15 O48 79.5(4) . . ?
O16 Dy15 O56 139.7(4) 4_566 . ?
O16 Dy15 O56 131.7(4) . . ?
O24 Dy15 O4W 73.1(4) . . ?
O24 Dy15 N4 129.1(3) . . ?
O24 Dy15 Dy5 35.28(17) . 4_566 ?
O24 Dy15 Dy5 39.78(19) . . ?
O24 Dy15 O6 66.5(3) . . ?
O24 Dy15 O16 74.1(3) . 4_566 ?
O24 Dy15 O32 97.0(3) . 4_566 ?
O24 Dy15 O48 147.0(4) . . ?
O24 Dy15 O56 142.1(5) . . ?
O32 Dy15 O4W 74.2(3) 4_566 . ?
O32 Dy15 N4 130.2(4) 4_566 . ?
O32 Dy15 Dy5 135.2(2) 4_566 . ?
O32 Dy15 Dy5 75.5(2) 4_566 4_566 ?
O32 Dy15 O6 146.1(3) 4_566 . ?
O32 Dy15 O56 68.7(4) 4_566 . ?
O48 Dy15 O4W 138.5(5) . . ?
O48 Dy15 N4 65.5(4) . . ?
O48 Dy15 Dy5 122.2(3) . . ?
O48 Dy15 Dy5 116.8(3) . 4_566 ?
O48 Dy15 O6 123.7(3) . . ?
O48 Dy15 O16 81.4(4) . 4_566 ?
O48 Dy15 O32 86.7(3) . 4_566 ?
O48 Dy15 O56 69.5(6) . . ?
O56 Dy15 O4W 69.3(6) . . ?
O56 Dy15 N4 63.2(4) . . ?
O56 Dy15 Dy5 143.4(3) . 4_566 ?
O56 Dy15 Dy5 149.2(4) . . ?
O56 Dy15 O6 105.5(4) . . ?
C3 C15 H15A 110.0 . . ?
C3 C15 H15B 110.0 . . ?
N6 C15 C3 108.3(12) . . ?
N6 C15 H15A 110.0 . . ?
N6 C15 H15B 110.0 . . ?
H15A C15 H15B 108.4 . . ?
Dy5 O16 Dy15 97.4(3) 4_566 4_566 ?
Dy5 O16 H16 112.8 4_566 . ?
Dy15 O16 Dy5 105.7(3) . 4_566 ?
Dy15 O16 Dy15 114.2(4) . 4_566 ?
Dy15 O16 H16 112.8 . . ?
Dy15 O16 H16 112.8 4_566 . ?
H16A C16 H16B 107.9 . . ?
C19 C16 H16A 109.3 . . ?
C19 C16 H16B 109.3 . . ?
O46 C16 H16A 109.3 . . ?
O46 C16 H16B 109.3 . . ?
O46 C16 C19 111.7(15) . . ?
C12 C17 H17A 109.5 . . ?
C12 C17 H17B 109.5 . . ?
H17A C17 H17B 108.1 . . ?
O50 C17 C12 110.8(14) . . ?
O50 C17 H17A 109.5 . . ?
O50 C17 H17B 109.5 . . ?
C10 O18 Dy3 133.7(9) . . ?
C10 O18 Dy11 123.9(8) . . ?
Dy11 O18 Dy3 91.8(3) . . ?
C14 C18 H18A 109.9 . . ?
C14 C18 H18B 109.9 . . ?
H18A C18 H18B 108.3 . . ?
O48 C18 C14 108.8(13) . . ?
O48 C18 H18A 109.9 . . ?
O48 C18 H18B 109.9 . . ?
N6 C19 C16 103.0(15) . . ?
N6 C19 C26 108.2(15) . . ?
N6 C19 C28 113.0(16) . . ?
C16 C19 C28 110.6(16) . . ?
C26 C19 C16 114.4(17) . . ?
C26 C19 C28 107.7(16) . . ?
Dy2 O20 Dy5 109.3(3) . . ?
Dy2 O20 Dy7 107.8(3) . . ?
Dy2 O20 H20 113.2 . . ?
Dy5 O20 Dy7 99.4(3) . . ?
Dy5 O20 H20 113.2 . . ?
Dy7 O20 H20 113.2 . . ?
C1 C20 H20A 109.8 . . ?
C1 C20 H20B 109.8 . . ?
N4 C20 C1 109.3(11) . . ?
N4 C20 H20A 109.8 . . ?
N4 C20 H20B 109.8 . . ?
H20A C20 H20B 108.3 . . ?
C14 C21 H21A 109.8 . . ?
C14 C21 H21B 109.8 . . ?
H21A C21 H21B 108.2 . . ?
O66 C21 C14 109(2) . . ?
O66 C21 H21A 109.8 . . ?
O66 C21 H21B 109.8 . . ?
Dy2 O22 Dy9 97.1(3) . . ?
Dy2 O22 Dy11 104.9(3) . . ?
Dy2 O22 H22 113.5 . . ?
Dy9 O22 H22 113.5 . . ?
Dy11 O22 Dy9 113.1(4) . . ?
Dy11 O22 H22 113.5 . . ?
C9 C22 H22A 110.4 . . ?
C9 C22 H22B 110.4 . . ?
H22A C22 H22B 108.6 . . ?
O60 C22 C9 106.5(13) . . ?
O60 C22 H22A 110.4 . . ?
O60 C22 H22B 110.4 . . ?
C12 C23 H23A 110.5 . . ?
C12 C23 H23B 110.5 . . ?
H23A C23 H23B 108.7 . . ?
O54 C23 C12 106.2(15) . . ?
O54 C23 H23A 110.5 . . ?
O54 C23 H23B 110.5 . . ?
Dy5 O24 Dy5 108.8(4) 4_566 . ?
Dy5 O24 Dy15 108.0(3) 4_566 . ?
Dy5 O24 Dy15 99.8(3) . . ?
Dy5 O24 H24 113.1 4_566 . ?
Dy5 O24 H24 113.1 . . ?
Dy15 O24 H24 113.1 . . ?
C14 C24 H24A 110.8 . . ?
C14 C24 H24B 110.8 . . ?
H24A C24 H24B 108.9 . . ?
O56 C24 C14 104.7(13) . . ?
O56 C24 H24A 110.8 . . ?
O56 C24 H24B 110.8 . . ?
C9 C25 H25A 109.5 . . ?
C9 C25 H25B 109.5 . . ?
H25A C25 H25B 108.1 . . ?
O62 C25 C9 110.8(15) . . ?
O62 C25 H25A 109.5 . . ?
O62 C25 H25B 109.5 . . ?
C3 O26 Dy5 133.2(8) . . ?
C3 O26 Dy7 123.0(8) . . ?
Dy7 O26 Dy5 93.1(3) . . ?
C19 C26 H26A 110.7 . . ?
C19 C26 H26B 110.7 . . ?
H26A C26 H26B 108.8 . . ?
O52 C26 C19 105.5(14) . . ?
O52 C26 H26A 110.7 . . ?
O52 C26 H26B 110.7 . . ?
C12 C27 H27A 108.6 . . ?
C12 C27 H27B 108.6 . . ?
H27A C27 H27B 107.6 . . ?
O70 C27 C12 114.5(16) . . ?
O70 C27 H27A 108.6 . . ?
O70 C27 H27B 108.6 . . ?
Dy5 O28 Dy7 96.4(3) . . ?
Dy5 O28 H28 113.3 . . ?
Dy7 O28 H28 113.3 . . ?
Dy13 O28 Dy5 105.0(3) . . ?
Dy13 O28 Dy7 114.0(4) . . ?
Dy13 O28 H28 113.3 . . ?
C19 C28 H28A 111.7 . . ?
C19 C28 H28B 111.7 . . ?
H28A C28 H28B 109.5 . . ?
O68 C28 C19 100.4(16) . . ?
O68 C28 H28A 111.7 . . ?
O68 C28 H28B 111.7 . . ?
C8 C29 H29A 109.7 . . ?
C8 C29 H29B 109.7 . . ?
H29A C29 H29B 108.2 . . ?
O64 C29 C8 109.8(15) . . ?
O64 C29 H29A 109.7 . . ?
O64 C29 H29B 109.7 . . ?
Dy3 O30 Dy9 105.0(3) . . ?
Dy3 O30 Dy11 97.3(3) . . ?
Dy3 O30 H30 113.2 . . ?
Dy9 O30 Dy11 113.5(4) . . ?
Dy9 O30 H30 113.2 . . ?
Dy11 O30 H30 113.2 . . ?
C8 C30 H30A 110.4 . . ?
C8 C30 H30B 110.4 . . ?
H30A C30 H30B 108.6 . . ?
O58 C30 C8 106.8(14) . . ?
O58 C30 H30A 110.4 . . ?
O58 C30 H30B 110.4 . . ?
C3 O32 Dy15 126.7(8) . 4_566 ?
C5 O34 Dy7 126.1(9) . . ?
C4 O36 Dy11 120.4(9) . . ?
C4 O36 H36 109(2) . . ?
Dy11 O36 H36 128(2) . . ?
C6 O38 Dy13 121.6(9) . . ?
C6 O38 H38 109(2) . . ?
Dy13 O38 H38 127(2) . . ?
C2 O40 Dy11 126.3(9) . . ?
C10 O42 Dy9 126.4(8) . 4_566 ?
C1 O44 Dy13 128.0(8) . . ?
Dy7 O46 H46 119.2 . . ?
C16 O46 Dy7 121.6(11) . . ?
C16 O46 H46 119.2 . . ?
Dy15 O48 H48 124(2) . . ?
C18 O48 Dy15 121.4(9) . . ?
C18 O48 H48 108(2) . . ?
Dy9 O50 H50 127(2) . . ?
C17 O50 Dy9 119.2(9) . . ?
C17 O50 H50 112(2) . . ?
Dy7 O52 H52 121(2) . . ?
C26 O52 Dy7 125.7(10) . . ?
C26 O52 H52 106(2) . . ?
Dy9 O54 H54 122(2) . . ?
C23 O54 Dy9 124.4(12) . . ?
C23 O54 H54 108(3) . . ?
Dy15 O56 H56 122(3) . . ?
C24 O56 Dy15 124.9(11) . . ?
C24 O56 H56 107(3) . . ?
Dy13 O58 H58 126(2) . . ?
C30 O58 Dy13 123.2(10) . . ?
C30 O58 H58 107(3) . . ?
Dy11 O60 H60 124(2) . . ?
C22 O60 Dy11 124.7(10) . . ?
C22 O60 H60 106(2) . . ?
C25 O62 H62 109.5 . . ?
C29 O64 H64 109.5 . . ?
C21 O66 H66 109.5 . . ?
C28 O68 H68 109.5 . . ?
C27 O70 H70 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
N2 C9 C22 O60 47.9(19) . . . . ?
N2 C9 C25 O62 -54(2) . . . . ?
C2 C7 N10 C8 -167.7(12) . . . . ?
C2 C7 N10 Dy13 -45.5(13) . . . . ?
O4 C2 C7 N10 31.0(18) . . . . ?
O4 C2 O40 Dy11 -8(2) . . . . ?
N4 C14 C18 O48 -47.5(17) . . . . ?
N4 C14 C21 O66 71(3) . . . . ?
N4 C14 C24 O56 49.9(18) . . . . ?
C4 C9 C22 O60 -67.6(18) . . . . ?
C4 C9 C25 O62 63(2) . . . . ?
O6 C1 C20 N4 26.8(18) . . . . ?
O6 C1 O44 Dy13 -5.9(19) . . . . ?
N6 C19 C26 O52 45(2) . . . . ?
N6 C19 C28 O68 -74.6(19) . . . . ?
C6 C8 N10 C7 -174.8(13) . . . . ?
C6 C8 N10 Dy13 60.8(12) . . . . ?
C6 C8 C29 O64 61(2) . . . . ?
C6 C8 C30 O58 -64.3(18) . . . . ?
Dy7 N6 C15 C3 -43.9(16) . . . . ?
Dy7 N6 C19 C16 59.1(15) . . . . ?
Dy7 N6 C19 C26 -62.4(17) . . . . ?
Dy7 N6 C19 C28 178.5(14) . . . . ?
C7 C2 O4 Dy2 -132.4(11) . . . . ?
C7 C2 O4 Dy13 1.3(17) . . . . ?
C7 C2 O40 Dy11 175.7(9) . . . . ?
N8 C12 C17 O50 -49(2) . . . . ?
N8 C12 C23 O54 42(2) . . . . ?
N8 C12 C27 O70 161.2(18) . . . . ?
C8 C6 O38 Dy13 13.0(17) . . . . ?
C8 C30 O58 Dy13 -18(2) . . . . ?
Dy9 N8 C11 C5 -43.0(14) . . . . ?
Dy9 N8 C12 C17 60.3(15) . . . . ?
Dy9 N8 C12 C23 -58.8(19) . . . . ?
Dy9 N8 C12 C27 176.3(15) . . . . ?
C9 N2 C13 C10 -168.3(12) . . . . ?
C9 C4 O36 Dy11 7.5(18) . . . . ?
C9 C22 O60 Dy11 -11(2) . . . . ?
N10 C8 C29 O64 -55(2) . . . . ?
N10 C8 C30 O58 52.8(19) . . . . ?
Dy11 N2 C9 C4 58.4(13) . . . . ?
Dy11 N2 C9 C22 -61.1(14) . . . . ?
Dy11 N2 C9 C25 179.8(12) . . . . ?
Dy11 N2 C13 C10 -46.1(14) . . . . ?
C11 C5 O12 Dy2 -130.3(11) . . . . ?
C11 C5 O12 Dy9 3.2(17) . . . . ?
C11 C5 O34 Dy7 173.2(10) . . . . ?
C11 N8 C12 C17 -173.7(13) . . . . ?
C11 N8 C12 C23 67(2) . . . . ?
C11 N8 C12 C27 -58(2) . . . . ?
O12 C5 C11 N8 27.8(18) . . . . ?
O12 C5 O34 Dy7 -7(2) . . . . ?
C12 N8 C11 C5 -167.2(13) . . . . ?
C12 C17 O50 Dy9 12(2) . . . . ?
C12 C23 O54 Dy9 -3(2) . . . . ?
C13 N2 C9 C4 -176.8(13) . . . . ?
C13 N2 C9 C22 63.6(17) . . . . ?
C13 N2 C9 C25 -55(2) . . . . ?
C13 C10 O18 Dy3 -132.2(11) . . . . ?
C13 C10 O18 Dy11 1.8(18) . . . . ?
C13 C10 O42 Dy9 175.1(10) . . . 4_566 ?
C14 N4 C20 C1 -169.2(13) . . . . ?
C14 C18 O48 Dy15 10.8(19) . . . . ?
C14 C24 O56 Dy15 -13(2) . . . . ?
Dy15 N4 C14 C18 59.9(13) . . . . ?
Dy15 N4 C14 C21 174.3(14) . . . . ?
Dy15 N4 C14 C24 -62.9(14) . . . . ?
Dy15 N4 C20 C1 -43.4(14) . . . . ?
C15 C3 O26 Dy5 -131.2(12) . . . . ?
C15 C3 O26 Dy7 3.1(18) . . . . ?
C15 C3 O32 Dy15 176.6(11) . . . 4_566 ?
C15 N6 C19 C16 -175.7(15) . . . . ?
C15 N6 C19 C26 63(2) . . . . ?
C15 N6 C19 C28 -56(2) . . . . ?
C16 C19 C26 O52 -69.6(19) . . . . ?
C16 C19 C28 O68 40.3(19) . . . . ?
C17 C12 C23 O54 -76(2) . . . . ?
C17 C12 C27 O70 -82(2) . . . . ?
O18 C10 C13 N2 30.4(18) . . . . ?
O18 C10 O42 Dy9 -8(2) . . . 4_566 ?
C18 C14 C21 O66 -172(2) . . . . ?
C18 C14 C24 O56 -69.4(17) . . . . ?
C19 N6 C15 C3 -166.6(15) . . . . ?
C19 C16 O46 Dy7 22(2) . . . . ?
C19 C26 O52 Dy7 -5(2) . . . . ?
C20 C1 O6 Dy5 -133.1(11) . . . . ?
C20 C1 O6 Dy15 4.5(17) . . . . ?
C20 C1 O44 Dy13 173.8(10) . . . . ?
C20 N4 C14 C18 -172.2(13) . . . . ?
C20 N4 C14 C21 -58(2) . . . . ?
C20 N4 C14 C24 65.0(18) . . . . ?
C21 C14 C18 O48 -169.4(16) . . . . ?
C21 C14 C24 O56 175.9(16) . . . . ?
C22 C9 C25 O62 -174.4(17) . . . . ?
C23 C12 C17 O50 71.9(19) . . . . ?
C23 C12 C27 O70 35(3) . . . . ?
C24 C14 C18 O48 72.2(18) . . . . ?
C24 C14 C21 O66 -51(3) . . . . ?
C25 C9 C22 O60 170.2(15) . . . . ?
O26 C3 C15 N6 28(2) . . . . ?
O26 C3 O32 Dy15 -3(2) . . . 4_566 ?
C26 C19 C28 O68 165.9(15) . . . . ?
C27 C12 C17 O50 -169.5(15) . . . . ?
C27 C12 C23 O54 168.3(18) . . . . ?
C28 C19 C26 O52 167.0(15) . . . . ?
C29 C8 N10 C7 -55.6(19) . . . . ?
C29 C8 N10 Dy13 180.0(11) . . . . ?
C29 C8 C30 O58 174.2(15) . . . . ?
C30 C8 N10 C7 64.3(17) . . . . ?
C30 C8 N10 Dy13 -60.1(13) . . . . ?
C30 C8 C29 O64 -175.8(18) . . . . ?
O32 C3 C15 N6 -151.5(14) . . . . ?
O32 C3 O26 Dy5 48.6(19) . . . . ?
O32 C3 O26 Dy7 -177.0(10) . . . . ?
O34 C5 C11 N8 -152.2(13) . . . . ?
O34 C5 O12 Dy2 50(2) . . . . ?
O34 C5 O12 Dy9 -176.8(11) . . . . ?
O36 C4 C9 N2 -45.0(17) . . . . ?
O36 C4 C9 C22 72.9(17) . . . . ?
O36 C4 C9 C25 -167.2(14) . . . . ?
O38 C6 C8 N10 -50.1(16) . . . . ?
O38 C6 C8 C29 -170.2(13) . . . . ?
O38 C6 C8 C30 69.2(16) . . . . ?
O40 C2 O4 Dy2 51(2) . . . . ?
O40 C2 O4 Dy13 -175.6(10) . . . . ?
O40 C2 C7 N10 -151.9(13) . . . . ?
O42 C10 C13 N2 -152.1(13) . . . . ?
O42 C10 O18 Dy3 51(2) . . . . ?
O42 C10 O18 Dy11 -175.5(10) . . . . ?
O44 C1 O6 Dy5 47(2) . . . . ?
O44 C1 O6 Dy15 -175.9(9) . . . . ?
O44 C1 C20 N4 -152.8(13) . . . . ?
O46 C16 C19 N6 -54(2) . . . . ?
O46 C16 C19 C26 63(2) . . . . ?
O46 C16 C19 C28 -175.5(16) . . . . ?

_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 2.501
_oxdiff_exptl_absorpt_empirical_full_min 0.432
####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 2141693'
loop_
_audit_author_name
_audit_author_address
'Guo-Ming Wang'
;Qingdao University
China
;
_audit_update_record             
;
2022-01-13 deposited with the CCDC.	2022-10-05 downloaded from the CCDC.
;
_audit_creation_date             2022-01-12
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C60 H160 Cl N10 O80 Tb15, 4(N O3), 10(Cl)'
_chemical_formula_sum            'C60 H160 Cl11 N14 O92 Tb15'
_chemical_formula_weight         5323.76
_chemical_melting_point          ?
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'
O O 0.0106 0.0060 '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           13
_space_group_name_H-M_alt        'P 1 2/c 1'
_space_group_name_Hall           '-P 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'

_cell_length_a                   13.4425(2)
_cell_length_b                   21.4389(4)
_cell_length_c                   29.9936(4)
_cell_angle_alpha                90
_cell_angle_beta                 91.4480(10)
_cell_angle_gamma                90
_cell_volume                     8641.2(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    47838
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      31.0850
_cell_measurement_theta_min      2.0680
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    6.307
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.51630
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.110a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.046
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5032
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0477
_diffrn_reflns_av_unetI/netI     0.0395
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.809
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            101277
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.809
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.033
_diffrn_reflns_theta_min         2.009
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.809
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -18.00  37.00   0.50    0.70    --    3.36 -99.00 -60.00  110
  2  ω     12.00  37.00   0.50    0.70    --    3.36 -99.00   0.00   50
  3  ω    -18.00  36.00   0.50    0.70    --    3.36 -99.00  30.00  108
  4  ω    -47.00 -17.00   0.50    0.70    --    3.36 -38.00-180.00   60
  5  ω     27.00  76.00   0.50    0.70    --    3.36  38.00-150.00   98
  6  ω    -18.00  27.00   0.50    0.70    --   -6.72 -99.00-180.00   90
  7  ω    -26.00  -1.00   0.50    0.70    --   -6.72  93.00 171.00   50
  8  ω    -17.00  14.00   0.50    0.70    --   -6.72 -99.00   0.00   62
  9  ω    -23.00   3.00   0.50    0.70    --   -6.72 -93.00  60.00   52
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0482022000
_diffrn_orient_matrix_UB_12      -0.0134165000
_diffrn_orient_matrix_UB_13      -0.0002997000
_diffrn_orient_matrix_UB_21      0.0203292000
_diffrn_orient_matrix_UB_22      0.0275004000
_diffrn_orient_matrix_UB_23      0.0097148000
_diffrn_orient_matrix_UB_31      -0.0070112000
_diffrn_orient_matrix_UB_32      -0.0125725000
_diffrn_orient_matrix_UB_33      0.0215705000
_diffrn_oxdiff_digest_frames     
;
013d8e6d62d1d78bb3916626468742121100033f96e
;
_diffrn_oxdiff_digest_hkl        
;
01cabccf2eba385f1d91af686870b545a75341
;
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                16981
_reflns_number_total             22371
_reflns_odcompleteness_completeness 99.90
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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 1.171.41.110a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_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    ?
_refine_diff_density_max         3.043
_refine_diff_density_min         -2.052
_refine_diff_density_rms         0.261
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     910
_refine_ls_number_reflns         22371
_refine_ls_number_restraints     104
_refine_ls_R_factor_all          0.0764
_refine_ls_R_factor_gt           0.0546
_refine_ls_restrained_S_all      1.027
_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)+(0.0749P)²+136.5544P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1438
_refine_ls_wR_factor_ref         0.1609
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, {H23A,H23B} of O23, H10 of O10, H8 of O8, H3 of O3, H7 of
  O7, H5 of O5, H4 of O4, H6 of O6, H2 of O2, H9 of O9, H1 of O1, H33 of O33,
  H28 of O28, H29 of O29, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  H20 of O20, H18 of O18, H24 of O24, H14 of O14, H19 of O19, H13 of O13, H15
  of O15, H20A of O20A, {H2WA,H2WB} of O2W, {H4WA,H4WB} of O4W, {H5WA,H5WB} of
  O5W, {H3WA,H3WB} of O3W, {H1WA,H1WB} of O1W, H30 of O30, H25 of O25, H35 of
  O35, H34 of O34
2. Restrained distances
 O19-H19
 0.87 with sigma of 0.01
 O13-H13
 0.87 with sigma of 0.01
 O34-H34
 0.87 with sigma of 0.01
 O18-H18
 0.87 with sigma of 0.01
 O14-H14
 0.87 with sigma of 0.01
 C12-O35
 1.4 with sigma of 0.02
 C9-C12
 1.5 with sigma of 0.02
 O39-O40
 2.35 with sigma of 0.02
 O30-C22
 1.4 with sigma of 0.02
 C21-C22
 1.48 with sigma of 0.02
 O41-O39
 2.3 with sigma of 0.02
 O40-O41
 2.3 with sigma of 0.02
 O24-H24
 0.87 with sigma of 0.01
 O29-H29
 0.9 with sigma of 0.02
 C29-H19
 1.9305 with sigma of 0.02
 Tb6-H19
 3.082004 with sigma of 0.02
 C2-H13
 1.970854 with sigma of 0.02
 Tb7-H13
 3.054353 with sigma of 0.02
 C10-H34
 1.964678 with sigma of 0.02
 Tb8-H34
 3.16707 with sigma of 0.02
 C30-H18
 1.865558 with sigma of 0.02
 Tb6-H18
 3.035142 with sigma of 0.02
 C1-H14
 2.058886 with sigma of 0.02
 Tb7-H14
 2.999788 with sigma of 0.02
 C17-H24
 1.91566 with sigma of 0.02
 Tb2-H24
 3.066661 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
N7 \\sim O39 \\sim O40 \\sim O41: within 1.7A with sigma of 0.001 and sigma for
terminal atoms of 0.002
N6 \\sim O36 \\sim O37 \\sim O38: within 1.7A with sigma of 0.001 and sigma for
terminal atoms of 0.002
Uanis(O30) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(O39) \\sim Ueq, Uanis(O40) \\sim Ueq, Uanis(N7) \\sim Ueq, Uanis(O41)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(Cl6) \\sim Ueq, Uanis(Cl5) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
4. Others
 Fixed Sof: O20(0.5) H20(0.5) O20A(0.5) H20A(0.5)
5.a Rotating group:
 O1W(H1WA,H1WB), O2W(H2WA,H2WB), O3W(H3WA,H3WB), O4W(H4WA,H4WB), O5W(H5WA,H5WB)
5.b Ternary CH refined with riding coordinates:
 O1(H1), N1(H1A), O2(H2), N2(H2A), O3(H3), N3(H3A), O4(H4), N4(H4A), O5(H5),
 N5(H5A), O6(H6), O7(H7), O8(H8), O9(H9), O10(H10), C28(H28A)
5.c Secondary CH2 refined with riding coordinates:
 C1(H1B,H1C), C2(H2B,H2C), C4(H4B,H4C), C5(H5B,H5C), C8(H8A,H8B), C10(H10A,
 H10B), C11(H11A,H11B), C12(H12A,H12B), C14(H14A,H14B), C15(H15A,H15B),
 C17(H17A,H17B), C18(H18A,H18B), C20(H20B,H20C), C22(H22A,H22B), O23(H23A,H23B),
  C23(H23C,H23D), C24(H24A,H24B), C26(H26A,H26B), C29(H29A,H29B), C30(H30A,H30B)
5.d Aromatic/amide H refined with riding coordinates:
 O33(H33)
5.e Idealised tetrahedral OH refined as rotating group:
 O15(H15), O20(H20), O20A(H20A), O25(H25), O30(H30), O35(H35)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_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 0.5000 0.09567(2) 0.2500 0.02365(11) Uani 1 2 d S T P . .
Cl1 Cl 0.5000 0.24733(15) 0.2500 0.0375(7) Uani 1 2 d S T P . .
O1 O 0.4923(5) 0.0250(3) 0.31088(18) 0.0281(12) Uani 1 1 d . . . . .
H1 H 0.4846 -0.0194 0.3012 0.034 Uiso 1 1 calc R . . . .
O1W O 0.8048(7) 0.4255(5) 0.2542(3) 0.068(3) Uani 1 1 d . . . . .
H1WA H 0.8482 0.4320 0.2807 0.102 Uiso 1 1 d GR . . . .
H1WB H 0.8510 0.4383 0.2308 0.102 Uiso 1 1 d GR . . . .
N1 N 0.6892(7) 0.5474(4) 0.3255(3) 0.043(2) Uani 1 1 d . . . . .
H1A H 0.6244 0.5535 0.3406 0.052 Uiso 1 1 calc R . . . .
C1 C 0.8172(13) 0.6021(7) 0.2825(4) 0.077(5) Uani 1 1 d D . . . .
H1B H 0.8328 0.6423 0.2681 0.092 Uiso 1 1 calc R . . . .
H1C H 0.8755 0.5891 0.3011 0.092 Uiso 1 1 calc R . . . .
Tb2 Tb 0.35528(3) 0.06126(2) 0.35398(2) 0.03046(10) Uani 1 1 d D . . . .
O2 O 0.6074(4) 0.1385(3) 0.30598(18) 0.0268(12) Uani 1 1 d . . . . .
H2 H 0.6656 0.1613 0.2937 0.032 Uiso 1 1 calc R . . . .
O2W O 0.8109(6) 0.0851(5) 0.3213(3) 0.068(3) Uani 1 1 d . . . . .
H2WA H 0.8328 0.1269 0.3345 0.102 Uiso 1 1 d GR . . . .
H2WB H 0.8151 0.0963 0.2882 0.102 Uiso 1 1 d GR . . . .
N2 N 0.3338(7) 0.4409(4) 0.4327(3) 0.042(2) Uani 1 1 d . . . . .
H2A H 0.3997 0.4626 0.4331 0.050 Uiso 1 1 calc R . . . .
C2 C 0.6403(13) 0.6389(5) 0.2851(4) 0.067(4) Uani 1 1 d D . . . .
H2B H 0.5856 0.6512 0.3048 0.081 Uiso 1 1 calc R . . . .
H2C H 0.6656 0.6771 0.2706 0.081 Uiso 1 1 calc R . . . .
Tb3 Tb 0.51031(3) 0.20013(2) 0.35113(2) 0.02493(9) Uani 1 1 d . . . . .
O3 O 0.4024(4) 0.1398(3) 0.30449(17) 0.0244(11) Uani 1 1 d . . . . .
H3 H 0.3447 0.1641 0.2919 0.029 Uiso 1 1 calc R . . . .
O3W O 0.2057(6) 0.3064(4) 0.3684(3) 0.055(2) Uani 1 1 d . . . . .
H3WA H 0.1561 0.2941 0.3866 0.083 Uiso 1 1 d GR . . . .
H3WB H 0.2125 0.2728 0.3501 0.083 Uiso 1 1 d GR . . . .
N3 N 0.7026(8) 0.2358(4) 0.4774(3) 0.050(3) Uani 1 1 d . . . . .
H3A H 0.6374 0.2179 0.4863 0.060 Uiso 1 1 calc R . . . .
C3 C 0.7224(11) 0.6092(5) 0.3124(4) 0.057(3) Uani 1 1 d . . . . .
Tb4 Tb 0.65247(4) 0.04645(2) 0.34460(2) 0.03603(11) Uani 1 1 d . . . . .
O4 O 0.5192(5) 0.0961(3) 0.38050(19) 0.0315(13) Uani 1 1 d . . . . .
H4 H 0.5267 0.0952 0.4138 0.038 Uiso 1 1 calc R . . . .
O4W O 0.1999(6) 0.1117(4) 0.3264(3) 0.0521(19) Uani 1 1 d . . . . .
H4WA H 0.2052 0.1593 0.3215 0.078 Uiso 1 1 d GR . . . .
H4WB H 0.1412 0.1125 0.3482 0.078 Uiso 1 1 d GR . . . .
N4 N 0.3349(6) 0.0667(4) 0.4385(2) 0.0352(17) Uani 1 1 d . . . . .
H4A H 0.4028 0.0720 0.4523 0.042 Uiso 1 1 calc R . . . .
C4 C 0.7537(13) 0.6531(6) 0.3513(4) 0.071(4) Uani 1 1 d . . . . .
H4B H 0.8159 0.6377 0.3658 0.085 Uiso 1 1 calc R . . . .
H4C H 0.7660 0.6955 0.3397 0.085 Uiso 1 1 calc R . . . .
Tb5 Tb 0.50626(3) 0.36865(2) 0.31307(2) 0.02487(9) Uani 1 1 d . . . . .
O5 O 0.4067(4) 0.2858(3) 0.34014(18) 0.0260(11) Uani 1 1 d . . . . .
H5 H 0.3476 0.2765 0.3203 0.031 Uiso 1 1 calc R . . . .
O5W O 0.8155(6) 0.2931(4) 0.3738(3) 0.063(2) Uani 1 1 d . . . . .
H5WA H 0.8389 0.3296 0.3608 0.094 Uiso 1 1 d GR . . . .
H5WB H 0.8050 0.2676 0.3489 0.094 Uiso 1 1 d GR . . . .
N5 N 0.3174(7) -0.0624(4) 0.1877(2) 0.042(2) Uani 1 1 d . . . . .
H5A H 0.3840 -0.0798 0.1966 0.051 Uiso 1 1 calc R . . . .
C5 C 0.7537(9) 0.5110(5) 0.3571(3) 0.044(2) Uani 1 1 d . . . . .
H5B H 0.7546 0.5310 0.3869 0.052 Uiso 1 1 calc R . . . .
H5C H 0.8227 0.5098 0.3464 0.052 Uiso 1 1 calc R . . . .
Tb6 Tb 0.36322(3) 0.32683(2) 0.40941(2) 0.03072(10) Uani 1 1 d D . . . .
O6 O 0.5222(5) 0.3751(3) 0.39321(18) 0.0296(12) Uani 1 1 d . . . . .
H6 H 0.5283 0.4188 0.4045 0.036 Uiso 1 1 calc R . . . .
C6 C 0.7128(7) 0.4457(4) 0.3603(3) 0.035(2) Uani 1 1 d . . . . .
Tb7 Tb 0.64979(4) 0.48453(2) 0.25465(2) 0.03446(11) Uani 1 1 d D . . . .
O7 O 0.6110(4) 0.2900(3) 0.33931(18) 0.0263(11) Uani 1 1 d . . . . .
H7 H 0.6679 0.2818 0.3193 0.032 Uiso 1 1 calc R . . . .
C7 C 0.7151(8) 0.1583(5) 0.4171(3) 0.040(2) Uani 1 1 d . . . . .
Tb8 Tb 0.66218(4) 0.31148(2) 0.41294(2) 0.03458(11) Uani 1 1 d D . . . .
O8 O 0.5045(5) 0.2592(3) 0.41850(18) 0.0291(12) Uani 1 1 d . . . . .
H8 H 0.5009 0.2323 0.4456 0.035 Uiso 1 1 calc R . . . .
C8 C 0.7625(10) 0.1823(5) 0.4619(3) 0.052(3) Uani 1 1 d . . . . .
H8A H 0.7630 0.1486 0.4844 0.063 Uiso 1 1 calc R . . . .
H8B H 0.8321 0.1956 0.4573 0.063 Uiso 1 1 calc R . . . .
O9 O 0.4951(5) 0.4764(3) 0.29312(19) 0.0291(12) Uani 1 1 d . . . . .
H9 H 0.4924 0.5046 0.3197 0.035 Uiso 1 1 calc R . . . .
C9 C 0.7383(13) 0.2722(5) 0.5153(3) 0.067(4) Uani 1 1 d D . . . .
O10 O 0.6024(4) 0.3793(3) 0.24799(17) 0.0255(11) Uani 1 1 d . . . . .
H10 H 0.6602 0.3500 0.2473 0.031 Uiso 1 1 calc R . . . .
C10 C 0.6634(13) 0.3170(6) 0.5272(4) 0.073(5) Uani 1 1 d D . . . .
H10A H 0.6949 0.3503 0.5456 0.088 Uiso 1 1 calc R . . . .
H10B H 0.6131 0.2961 0.5455 0.088 Uiso 1 1 calc R . . . .
O11 O 0.6655(5) 0.4247(3) 0.3261(2) 0.0341(13) Uani 1 1 d . . . . .
C11 C 0.8323(13) 0.3090(7) 0.4991(4) 0.079(5) Uani 1 1 d . . . . .
H11A H 0.8570 0.3374 0.5230 0.095 Uiso 1 1 calc R . . . .
H11B H 0.8863 0.2794 0.4920 0.095 Uiso 1 1 calc R . . . .
O12 O 0.7259(5) 0.4153(3) 0.3952(2) 0.0395(15) Uani 1 1 d . . . . .
C12 C 0.7730(14) 0.2335(6) 0.5558(4) 0.093(7) Uani 1 1 d D . . . .
H12A H 0.8305 0.2071 0.5480 0.111 Uiso 1 1 calc R . . . .
H12B H 0.7935 0.2613 0.5807 0.111 Uiso 1 1 calc R . . . .
O13 O 0.6024(8) 0.5960(4) 0.2511(3) 0.068(3) Uani 1 1 d D . . . .
H13 H 0.589(7) 0.6151(10) 0.2259(9) 0.101 Uiso 1 1 d DR . . . .
C13 C 0.3116(8) 0.1771(5) 0.4252(3) 0.037(2) Uani 1 1 d . . . . .
O14 O 0.7941(9) 0.5548(6) 0.2489(4) 0.099(4) Uani 1 1 d D . . . .
H14 H 0.832(9) 0.551(7) 0.226(4) 0.148 Uiso 1 1 d DR . . . .
C14 C 0.2760(9) 0.1216(5) 0.4507(3) 0.042(2) Uani 1 1 d . . . . .
H14A H 0.2835 0.1294 0.4831 0.050 Uiso 1 1 calc R . . . .
H14B H 0.2047 0.1140 0.4436 0.050 Uiso 1 1 calc R . . . .
O15 O 0.6778(11) 0.6548(5) 0.3821(3) 0.088(4) Uani 1 1 d . . . . .
H15 H 0.6305 0.6765 0.3719 0.132 Uiso 1 1 calc GR . . . .
C15 C 0.2861(9) -0.0023(5) 0.5024(3) 0.048(3) Uani 1 1 d . . . . .
H15A H 0.2414 0.0309 0.5131 0.058 Uiso 1 1 calc R . . . .
H15B H 0.2553 -0.0431 0.5090 0.058 Uiso 1 1 calc R . . . .
O16 O 0.2919(6) 0.4942(3) 0.3218(2) 0.0449(17) Uani 1 1 d . . . . .
C16 C 0.2970(8) 0.0041(5) 0.4526(3) 0.040(2) Uani 1 1 d . . . . .
O17 O 0.3497(5) 0.4046(3) 0.3487(2) 0.0331(13) Uani 1 1 d . . . . .
C17 C 0.1987(9) -0.0083(6) 0.4285(3) 0.049(3) Uani 1 1 d D . . . .
H17A H 0.1833 -0.0534 0.4293 0.059 Uiso 1 1 calc R . . . .
H17B H 0.1447 0.0145 0.4432 0.059 Uiso 1 1 calc R . . . .
O18 O 0.2154(7) 0.3472(4) 0.4528(3) 0.070(3) Uani 1 1 d D . . . .
H18 H 0.172(5) 0.3199(18) 0.462(3) 0.105 Uiso 1 1 d DR . . . .
C18 C 0.3760(10) -0.0428(5) 0.4372(3) 0.050(3) Uani 1 1 d . . . . .
H18A H 0.4373 -0.0377 0.4558 0.060 Uiso 1 1 calc R . . . .
H18B H 0.3511 -0.0857 0.4415 0.060 Uiso 1 1 calc R . . . .
O19 O 0.4102(6) 0.3496(4) 0.4870(2) 0.050(2) Uani 1 1 d D . . . .
H19 H 0.455(7) 0.331(3) 0.5041(16) 0.075 Uiso 1 1 d DR . . . .
C19 C 0.2961(7) -0.0070(4) 0.2577(3) 0.036(2) Uani 1 1 d . . . . .
O20 O 0.2241(16) 0.5020(9) 0.5355(5) 0.066(5) Uani 0.5 1 d . . . . .
H20 H 0.2073 0.5382 0.5429 0.099 Uiso 0.5 1 calc GR . . . .
O20A O 0.3779(15) 0.5349(9) 0.5062(8) 0.077(6) Uani 0.5 1 d . . . . .
H20A H 0.4088 0.5356 0.4822 0.115 Uiso 0.5 1 calc GR . . . .
C20 C 0.2583(9) -0.0605(5) 0.2279(3) 0.048(3) Uani 1 1 d . . . . .
H20B H 0.2645 -0.1006 0.2441 0.058 Uiso 1 1 calc R . . . .
H20C H 0.1873 -0.0539 0.2197 0.058 Uiso 1 1 calc R . . . .
O21 O 0.3037(5) 0.2313(3) 0.4421(2) 0.0389(15) Uani 1 1 d . . . . .
C21 C 0.2780(13) -0.1014(5) 0.1507(3) 0.066(4) Uani 1 1 d D . . . .
O22 O 0.3509(5) 0.1669(3) 0.38761(19) 0.0337(14) Uani 1 1 d . . . . .
C22 C 0.2504(16) -0.1683(6) 0.1642(5) 0.105(7) Uani 1 1 d D . . . .
H22A H 0.1905 -0.1677 0.1828 0.126 Uiso 1 1 calc R . . . .
H22B H 0.2354 -0.1936 0.1373 0.126 Uiso 1 1 calc R . . . .
O23 O 0.3997(6) -0.0342(3) 0.3909(2) 0.0460(18) Uani 1 1 d . . . . .
H23A H 0.3678 -0.0686 0.3739 0.055 Uiso 1 1 calc R . . . .
H23B H 0.4725 -0.0395 0.3884 0.055 Uiso 1 1 calc R . . . .
C23 C 0.3680(18) -0.1030(7) 0.1167(4) 0.102(7) Uani 1 1 d . . . . .
H23C H 0.4211 -0.1309 0.1285 0.123 Uiso 1 1 calc R . . . .
H23D H 0.3440 -0.1200 0.0876 0.123 Uiso 1 1 calc R . . . .
O24 O 0.2060(7) 0.0121(4) 0.3829(2) 0.058(2) Uani 1 1 d D . . . .
H24 H 0.156(5) -0.003(5) 0.3674(9) 0.087 Uiso 1 1 d DR . . . .
C24 C 0.1917(14) -0.0747(7) 0.1304(5) 0.090(6) Uani 1 1 d . . . . .
H24A H 0.1376 -0.0725 0.1521 0.108 Uiso 1 1 calc R . . . .
H24B H 0.1687 -0.1006 0.1048 0.108 Uiso 1 1 calc R . . . .
O25 O 0.3775(8) 0.0021(5) 0.5247(3) 0.072(3) Uani 1 1 d . . . . .
H25 H 0.3693 0.0155 0.5506 0.109 Uiso 1 1 calc GR . . . .
C25 C 0.3056(7) 0.4564(4) 0.3525(3) 0.035(2) Uani 1 1 d . . . . .
O26 O 0.2853(6) -0.0110(3) 0.2989(2) 0.0429(17) Uani 1 1 d . . . . .
C26 C 0.2694(9) 0.4724(5) 0.3992(3) 0.048(3) Uani 1 1 d . . . . .
H26A H 0.2719 0.5181 0.4038 0.057 Uiso 1 1 calc R . . . .
H26B H 0.1996 0.4585 0.4022 0.057 Uiso 1 1 calc R . . . .
O27 O 0.3396(5) 0.0369(3) 0.2383(2) 0.0319(13) Uani 1 1 d . . . . .
C27 C 0.2982(10) 0.4394(5) 0.4793(3) 0.050(3) Uani 1 1 d . . . . .
O28 O 0.4080(11) -0.0414(5) 0.1102(3) 0.080(4) Uani 1 1 d . . . . .
H28 H 0.438(15) -0.028(9) 0.124(6) 0.096 Uiso 1 1 d R . . . .
C28 C 0.2836(13) 0.5051(6) 0.4990(4) 0.072(4) Uani 1 1 d . . . . .
H28A H 0.2466 0.5301 0.4758 0.086 Uiso 1 1 calc R . . . .
O29 O 0.2163(10) -0.0133(5) 0.1154(4) 0.095(4) Uani 1 1 d D . . . .
H29 H 0.194(13) 0.007(8) 0.091(4) 0.114 Uiso 1 1 d DR . . . .
C29 C 0.3815(11) 0.4080(6) 0.5068(3) 0.057(3) Uani 1 1 d D . . . .
H29A H 0.4398 0.4361 0.5088 0.068 Uiso 1 1 calc R . . . .
H29B H 0.3586 0.4004 0.5375 0.068 Uiso 1 1 calc R . . . .
O30 O 0.3280(13) -0.1936(9) 0.1876(6) 0.135(6) Uani 1 1 d D U . . .
H30 H 0.3753 -0.2000 0.1704 0.202 Uiso 1 1 calc GR . . . .
C30 C 0.2035(10) 0.4014(5) 0.4798(4) 0.051(3) Uani 1 1 d D . . . .
H30A H 0.1891 0.3889 0.5108 0.061 Uiso 1 1 calc R . . . .
H30B H 0.1471 0.4267 0.4681 0.061 Uiso 1 1 calc R . . . .
O31 O 0.7257(6) 0.1030(3) 0.4082(2) 0.0431(17) Uani 1 1 d . . . . .
O32 O 0.6714(5) 0.1987(3) 0.3940(2) 0.0347(14) Uani 1 1 d . . . . .
O33 O 0.8037(8) 0.3441(5) 0.4602(4) 0.086(4) Uani 1 1 d . . . . .
H33 H 0.8400 0.3805 0.4527 0.103 Uiso 1 1 calc R . . . .
O34 O 0.6132(8) 0.3455(4) 0.4880(3) 0.070(3) Uani 1 1 d D . . . .
H34 H 0.577(9) 0.377(4) 0.4972(8) 0.105 Uiso 1 1 d DR . . . .
O35 O 0.6935(14) 0.1963(7) 0.5681(4) 0.133(7) Uani 1 1 d D . . . .
H35 H 0.7041 0.1825 0.5940 0.200 Uiso 1 1 calc GR . . . .
N6 N 0.4837(13) 0.5546(8) 0.3939(4) 0.0881(19) Uani 1 1 d . U . . .
O36 O 0.4403(10) 0.5857(6) 0.4228(4) 0.093(2) Uani 1 1 d . U . . .
O37 O 0.5244(9) 0.5143(5) 0.4004(3) 0.081(2) Uani 1 1 d . U . . .
O38 O 0.4786(10) 0.5807(6) 0.3533(4) 0.090(2) Uani 1 1 d . U . . .
N7 N 0.7635(13) 0.2469(10) 0.2497(7) 0.113(2) Uani 1 1 d . U . . .
O39 O 0.7621(10) 0.2984(6) 0.2684(5) 0.115(3) Uani 1 1 d D U . . .
O40 O 0.7769(10) 0.1950(6) 0.2754(5) 0.116(3) Uani 1 1 d D U . . .
O41 O 0.7570(10) 0.2347(7) 0.2085(4) 0.113(3) Uani 1 1 d D U . . .
Cl4 Cl 0.9836(5) 0.4262(5) 0.5795(4) 0.203(5) Uani 1 1 d . . . . .
Cl5 Cl 0.7129(17) 0.7347(9) 0.4565(6) 0.353(9) Uani 1 1 d . U . . .
Cl2 Cl 0.4706(5) 0.8657(3) 0.52027(16) 0.1148(18) Uani 1 1 d . . . . .
Cl6 Cl 0.5250(13) -0.1155(8) 0.2250(6) 0.324(9) Uani 1 1 d . U . . .
Cl3 Cl 0.0266(5) 0.1273(5) 0.5205(2) 0.170(4) Uani 1 1 d . . . . .


_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 O1 2.377(5) . ?
Tb1 O1 2.377(5) 2_655 ?
Tb1 O2 2.371(6) 2_655 ?
Tb1 O2 2.372(6) . ?
Tb1 Tb3 3.7701(5) . ?
Tb1 Tb3 3.7700(5) 2_655 ?
Tb1 O3 2.323(5) . ?
Tb1 O3 2.323(5) 2_655 ?
Tb1 Tb4 3.6155(4) . ?
Tb1 Tb4 3.6154(4) 2_655 ?
Tb1 O27 2.515(6) . ?
Tb1 O27 2.515(6) 2_655 ?
Cl1 Tb3 3.1972(11) 2_655 ?
Cl1 Tb3 3.1972(11) . ?
Cl1 Tb5 3.216(3) . ?
Cl1 Tb5 3.216(3) 2_655 ?
O1 H1 1.0000 . ?
O1 Tb2 2.406(6) . ?
O1 Tb4 2.400(6) . ?
O1W H1WA 0.9851 . ?
O1W H1WB 0.9853 . ?
O1W Tb7 2.438(9) . ?
N1 H1A 1.0000 . ?
N1 C3 1.454(13) . ?
N1 C5 1.490(13) . ?
N1 Tb7 2.560(8) . ?
C1 H1B 0.9900 . ?
C1 H1C 0.9900 . ?
C1 C3 1.58(2) . ?
C1 O14 1.458(13) . ?
Tb2 Tb3 3.6364(6) . ?
Tb2 O3 2.342(5) . ?
Tb2 O4 2.441(7) . ?
Tb2 O4W 2.476(8) . ?
Tb2 N4 2.559(7) . ?
Tb2 O22 2.481(6) . ?
Tb2 O23 2.395(7) . ?
Tb2 O24 2.445(8) . ?
Tb2 O26 2.437(7) . ?
O2 H2 1.0000 . ?
O2 Tb3 2.317(5) . ?
O2 Tb4 2.360(6) . ?
O2W H2WA 1.0211 . ?
O2W H2WB 1.0236 . ?
O2W Tb4 2.405(9) . ?
N2 H2A 1.0000 . ?
N2 Tb6 2.577(8) . ?
N2 C26 1.473(13) . ?
N2 C27 1.491(12) . ?
C2 H2B 0.9900 . ?
C2 H2C 0.9900 . ?
C2 C3 1.501(18) . ?
C2 O13 1.455(14) . ?
Tb3 O3 2.374(6) . ?
Tb3 O4 2.400(6) . ?
Tb3 O5 2.323(5) . ?
Tb3 O7 2.387(6) . ?
Tb3 Tb8 3.6210(6) . ?
Tb3 O8 2.388(6) . ?
Tb3 O22 2.533(6) . ?
Tb3 O32 2.489(6) . ?
O3 H3 1.0000 . ?
O3W H3WA 0.9128 . ?
O3W H3WB 0.9099 . ?
O3W Tb6 2.462(8) . ?
N3 H3A 1.0000 . ?
N3 Tb8 2.572(8) . ?
N3 C8 1.484(13) . ?
N3 C9 1.448(12) . ?
C3 C4 1.548(14) . ?
Tb4 O4 2.366(6) . ?
Tb4 N5 2.562(8) 2_655 ?
Tb4 O27 2.501(6) 2_655 ?
Tb4 O28 2.470(11) 2_655 ?
Tb4 O29 2.466(9) 2_655 ?
Tb4 O31 2.445(7) . ?
O4 H4 1.0000 . ?
O4W H4WA 1.0330 . ?
O4W H4WB 1.0382 . ?
N4 H4A 1.0000 . ?
N4 C14 1.470(12) . ?
N4 C16 1.500(12) . ?
C4 H4B 0.9900 . ?
C4 H4C 0.9900 . ?
C4 O15 1.394(19) . ?
Tb5 Tb5 3.7832(7) 2_655 ?
Tb5 O5 2.380(6) . ?
Tb5 Tb6 3.6237(6) . ?
Tb5 O6 2.412(5) . ?
Tb5 Tb7 3.6244(6) . ?
Tb5 O7 2.321(6) . ?
Tb5 O9 2.391(6) . ?
Tb5 O10 2.325(5) 2_655 ?
Tb5 O10 2.379(5) . ?
Tb5 O11 2.477(6) . ?
Tb5 O17 2.505(6) . ?
O5 H5 1.0000 . ?
O5 Tb6 2.344(5) . ?
O5W H5WA 0.9336 . ?
O5W H5WB 0.9327 . ?
O5W Tb8 2.430(9) . ?
N5 Tb4 2.562(8) 2_655 ?
N5 H5A 1.0000 . ?
N5 C20 1.461(13) . ?
N5 C21 1.476(12) . ?
C5 H5B 0.9900 . ?
C5 H5C 0.9900 . ?
C5 C6 1.508(13) . ?
Tb6 O6 2.434(7) . ?
Tb6 O8 2.400(6) . ?
Tb6 O17 2.473(6) . ?
Tb6 O18 2.443(8) . ?
Tb6 O19 2.444(7) . ?
Tb6 O21 2.416(7) . ?
O6 H6 1.0000 . ?
O6 Tb8 2.386(6) . ?
C6 O11 1.276(10) . ?
C6 O12 1.242(11) . ?
Tb7 Tb5 3.8055(5) 2_655 ?
Tb7 O9 2.395(6) 2_655 ?
Tb7 O9 2.410(6) . ?
Tb7 O10 2.351(6) . ?
Tb7 O11 2.502(6) . ?
Tb7 O13 2.475(9) . ?
Tb7 O14 2.466(9) . ?
Tb7 O16 2.450(7) 2_655 ?
O7 H7 1.0000 . ?
O7 Tb8 2.342(5) . ?
C7 C8 1.559(12) . ?
C7 O31 1.224(11) . ?
C7 O32 1.248(11) . ?
Tb8 O8 2.407(6) . ?
Tb8 O12 2.448(7) . ?
Tb8 O32 2.488(6) . ?
Tb8 O33 2.445(8) . ?
Tb8 O34 2.472(8) . ?
O8 H8 1.0000 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
O9 Tb7 2.395(6) 2_655 ?
O9 H9 1.0000 . ?
C9 C10 1.445(18) . ?
C9 C11 1.58(2) . ?
C9 C12 1.534(12) . ?
O10 Tb5 2.325(5) 2_655 ?
O10 H10 1.0000 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 O34 1.473(13) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 O33 1.436(15) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C12 O35 1.391(16) . ?
O13 H13 0.875(10) . ?
C13 C14 1.500(14) . ?
C13 O21 1.273(12) . ?
C13 O22 1.275(10) . ?
O14 H14 0.877(9) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
O15 H15 0.8400 . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C16 1.509(12) . ?
C15 O25 1.388(16) . ?
O16 Tb7 2.450(7) 2_655 ?
O16 C25 1.238(11) . ?
C16 C17 1.515(16) . ?
C16 C18 1.542(14) . ?
O17 C25 1.266(10) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C17 O24 1.442(11) . ?
O18 H18 0.867(10) . ?
O18 C30 1.427(12) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 O23 1.444(11) . ?
O19 H19 0.873(10) . ?
O19 C29 1.443(12) . ?
C19 C20 1.532(13) . ?
C19 O26 1.251(11) . ?
C19 O27 1.257(10) . ?
O20 H20 0.8400 . ?
O20 C28 1.37(2) . ?
O20A H20A 0.8400 . ?
O20A C28 1.43(3) . ?
C20 H20B 0.9900 . ?
C20 H20C 0.9900 . ?
C21 C22 1.539(14) . ?
C21 C23 1.60(2) . ?
C21 C24 1.42(2) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 O30 1.356(15) . ?
O23 H23A 0.9900 . ?
O23 H23B 0.9900 . ?
C23 H23C 0.9900 . ?
C23 H23D 0.9900 . ?
C23 O28 1.442(16) . ?
O24 H24 0.873(10) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 O29 1.433(16) . ?
O25 H25 0.8400 . ?
C25 C26 1.533(12) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
O27 Tb4 2.501(6) 2_655 ?
C27 C28 1.543(15) . ?
C27 C29 1.529(17) . ?
C27 C30 1.511(18) . ?
O28 Tb4 2.470(11) 2_655 ?
O28 H28 0.64(18) . ?
C28 H28A 1.0000 . ?
O29 Tb4 2.466(9) 2_655 ?
O29 H29 0.90(2) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
O30 H30 0.8400 . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
O33 H33 0.9500 . ?
O34 H34 0.881(10) . ?
O35 H35 0.8400 . ?
N6 O36 1.249(16) . ?
N6 O37 1.038(18) . ?
N6 O38 1.341(18) . ?
N7 O39 1.24(2) . ?
N7 O40 1.36(2) . ?
N7 O41 1.26(2) . ?
Cl6 Cl6 1.66(3) 2_655 ?

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
O1 Tb1 O1 100.8(3) . 2_655 ?
O1 Tb1 Tb3 76.23(13) . . ?
O1 Tb1 Tb3 174.41(15) . 2_655 ?
O1 Tb1 Tb3 174.41(15) 2_655 . ?
O1 Tb1 Tb3 76.23(13) 2_655 2_655 ?
O1 Tb1 Tb4 112.46(15) 2_655 . ?
O1 Tb1 Tb4 41.06(15) . . ?
O1 Tb1 Tb4 41.06(15) 2_655 2_655 ?
O1 Tb1 Tb4 112.46(15) . 2_655 ?
O1 Tb1 O27 68.1(2) 2_655 . ?
O1 Tb1 O27 74.5(2) 2_655 2_655 ?
O1 Tb1 O27 74.5(2) . . ?
O1 Tb1 O27 68.1(2) . 2_655 ?
O2 Tb1 O1 138.9(2) 2_655 . ?
O2 Tb1 O1 75.0(2) . . ?
O2 Tb1 O1 75.0(2) 2_655 2_655 ?
O2 Tb1 O1 138.9(2) . 2_655 ?
O2 Tb1 O2 134.4(3) 2_655 . ?
O2 Tb1 Tb3 110.41(14) 2_655 . ?
O2 Tb1 Tb3 35.99(13) . . ?
O2 Tb1 Tb3 35.99(13) 2_655 2_655 ?
O2 Tb1 Tb3 110.41(14) . 2_655 ?
O2 Tb1 Tb4 40.06(14) . . ?
O2 Tb1 Tb4 172.54(14) . 2_655 ?
O2 Tb1 Tb4 172.53(14) 2_655 . ?
O2 Tb1 Tb4 40.07(14) 2_655 2_655 ?
O2 Tb1 O27 65.88(19) 2_655 . ?
O2 Tb1 O27 142.9(2) 2_655 2_655 ?
O2 Tb1 O27 65.88(19) . 2_655 ?
O2 Tb1 O27 142.9(2) . . ?
Tb3 Tb1 Tb3 107.113(17) 2_655 . ?
O3 Tb1 O1 146.8(2) 2_655 . ?
O3 Tb1 O1 146.8(2) . 2_655 ?
O3 Tb1 O1 71.48(19) . . ?
O3 Tb1 O1 71.49(19) 2_655 2_655 ?
O3 Tb1 O2 71.9(2) . . ?
O3 Tb1 O2 89.76(19) . 2_655 ?
O3 Tb1 O2 71.9(2) 2_655 2_655 ?
O3 Tb1 O2 89.76(19) 2_655 . ?
O3 Tb1 Tb3 108.32(13) 2_655 . ?
O3 Tb1 Tb3 108.32(13) . 2_655 ?
O3 Tb1 Tb3 37.07(14) . . ?
O3 Tb1 Tb3 37.07(14) 2_655 2_655 ?
O3 Tb1 O3 132.0(3) 2_655 . ?
O3 Tb1 Tb4 110.60(14) 2_655 . ?
O3 Tb1 Tb4 83.44(13) . . ?
O3 Tb1 Tb4 83.44(13) 2_655 2_655 ?
O3 Tb1 Tb4 110.60(14) . 2_655 ?
O3 Tb1 O27 127.14(19) . 2_655 ?
O3 Tb1 O27 78.7(2) 2_655 2_655 ?
O3 Tb1 O27 127.14(19) 2_655 . ?
O3 Tb1 O27 78.7(2) . . ?
Tb4 Tb1 Tb3 62.187(9) 2_655 2_655 ?
Tb4 Tb1 Tb3 62.186(9) . . ?
Tb4 Tb1 Tb3 144.426(13) 2_655 . ?
Tb4 Tb1 Tb3 144.426(13) . 2_655 ?
Tb4 Tb1 Tb4 146.06(2) 2_655 . ?
O27 Tb1 Tb3 99.90(14) . 2_655 ?
O27 Tb1 Tb3 99.89(14) 2_655 . ?
O27 Tb1 Tb3 115.07(14) 2_655 2_655 ?
O27 Tb1 Tb3 115.07(14) . . ?
O27 Tb1 Tb4 115.47(14) 2_655 2_655 ?
O27 Tb1 Tb4 115.47(14) . . ?
O27 Tb1 Tb4 43.72(14) . 2_655 ?
O27 Tb1 Tb4 43.72(14) 2_655 . ?
O27 Tb1 O27 119.8(3) 2_655 . ?
Tb3 Cl1 Tb3 143.10(11) 2_655 . ?
Tb3 Cl1 Tb5 72.42(2) . . ?
Tb3 Cl1 Tb5 144.48(9) . 2_655 ?
Tb3 Cl1 Tb5 72.43(2) 2_655 2_655 ?
Tb3 Cl1 Tb5 144.48(9) 2_655 . ?
Tb5 Cl1 Tb5 72.05(7) . 2_655 ?
Tb1 O1 H1 112.9 . . ?
Tb1 O1 Tb2 104.8(2) . . ?
Tb1 O1 Tb4 98.4(2) . . ?
Tb2 O1 H1 112.9 . . ?
Tb4 O1 H1 112.9 . . ?
Tb4 O1 Tb2 113.7(2) . . ?
H1WA O1W H1WB 99.5 . . ?
Tb7 O1W H1WA 114.2 . . ?
Tb7 O1W H1WB 114.5 . . ?
C3 N1 H1A 106.3 . . ?
C3 N1 C5 118.1(9) . . ?
C3 N1 Tb7 108.3(6) . . ?
C5 N1 H1A 106.3 . . ?
C5 N1 Tb7 111.0(6) . . ?
Tb7 N1 H1A 106.3 . . ?
H1B C1 H1C 108.5 . . ?
C3 C1 H1B 110.2 . . ?
C3 C1 H1C 110.2 . . ?
O14 C1 H1B 110.2 . . ?
O14 C1 H1C 110.2 . . ?
O14 C1 C3 107.4(10) . . ?
O1 Tb2 Tb1 37.33(13) . . ?
O1 Tb2 Tb3 78.75(14) . . ?
O1 Tb2 O4 65.0(2) . . ?
O1 Tb2 O4W 127.8(2) . . ?
O1 Tb2 N4 130.5(2) . . ?
O1 Tb2 O22 122.7(2) . . ?
O1 Tb2 O24 134.2(3) . . ?
O1 Tb2 O26 73.6(2) . . ?
Tb3 Tb2 Tb1 60.979(11) . . ?
O3 Tb2 Tb1 35.50(13) . . ?
O3 Tb2 O1 70.66(19) . . ?
O3 Tb2 Tb3 39.86(14) . . ?
O3 Tb2 O4 74.4(2) . . ?
O3 Tb2 O4W 73.3(2) . . ?
O3 Tb2 N4 129.3(2) . . ?
O3 Tb2 O22 67.11(18) . . ?
O3 Tb2 O23 147.0(2) . . ?
O3 Tb2 O24 140.5(3) . . ?
O3 Tb2 O26 97.6(2) . . ?
O4 Tb2 Tb1 74.38(14) . . ?
O4 Tb2 Tb3 40.89(14) . . ?
O4 Tb2 O4W 136.2(2) . . ?
O4 Tb2 N4 77.4(2) . . ?
O4 Tb2 O22 67.6(2) . . ?
O4 Tb2 O24 139.4(2) . . ?
O4W Tb2 Tb1 94.94(18) . . ?
O4W Tb2 Tb3 96.5(2) . . ?
O4W Tb2 N4 101.6(3) . . ?
O4W Tb2 O22 73.0(3) . . ?
N4 Tb2 Tb1 151.2(2) . . ?
N4 Tb2 Tb3 93.56(19) . . ?
O22 Tb2 Tb1 100.07(14) . . ?
O22 Tb2 Tb3 44.07(15) . . ?
O22 Tb2 N4 63.4(2) . . ?
O23 Tb2 Tb1 114.83(16) . . ?
O23 Tb2 O1 77.7(2) . . ?
O23 Tb2 Tb3 125.0(2) . . ?
O23 Tb2 O4 84.2(3) . . ?
O23 Tb2 O4W 136.6(3) . . ?
O23 Tb2 N4 67.2(2) . . ?
O23 Tb2 O22 126.9(2) . . ?
O23 Tb2 O24 70.4(3) . . ?
O23 Tb2 O26 81.8(3) . . ?
O24 Tb2 Tb1 144.94(18) . . ?
O24 Tb2 Tb3 146.9(2) . . ?
O24 Tb2 O4W 67.3(3) . . ?
O24 Tb2 N4 63.8(3) . . ?
O24 Tb2 O22 102.8(3) . . ?
O26 Tb2 Tb1 76.28(15) . . ?
O26 Tb2 Tb3 135.74(15) . . ?
O26 Tb2 O4 138.2(2) . . ?
O26 Tb2 O4W 75.1(3) . . ?
O26 Tb2 N4 130.7(2) . . ?
O26 Tb2 O22 147.5(2) . . ?
O26 Tb2 O24 70.1(2) . . ?
Tb1 O2 H2 113.3 . . ?
Tb3 O2 Tb1 107.0(2) . . ?
Tb3 O2 H2 113.3 . . ?
Tb3 O2 Tb4 109.3(2) . . ?
Tb4 O2 Tb1 99.6(2) . . ?
Tb4 O2 H2 113.3 . . ?
H2WA O2W H2WB 98.5 . . ?
Tb4 O2W H2WA 116.0 . . ?
Tb4 O2W H2WB 115.7 . . ?
Tb6 N2 H2A 107.6 . . ?
C26 N2 H2A 107.6 . . ?
C26 N2 Tb6 110.0(6) . . ?
C26 N2 C27 117.0(8) . . ?
C27 N2 H2A 107.6 . . ?
C27 N2 Tb6 106.7(6) . . ?
H2B C2 H2C 108.1 . . ?
C3 C2 H2B 109.5 . . ?
C3 C2 H2C 109.5 . . ?
O13 C2 H2B 109.5 . . ?
O13 C2 H2C 109.5 . . ?
O13 C2 C3 110.7(10) . . ?
Cl1 Tb3 Tb1 54.89(6) . . ?
Cl1 Tb3 Tb2 105.68(5) . . ?
Cl1 Tb3 Tb8 106.70(5) . . ?
Tb2 Tb3 Tb1 61.518(10) . . ?
O2 Tb3 Tb1 36.97(14) . . ?
O2 Tb3 Cl1 68.74(15) . . ?
O2 Tb3 Tb2 83.03(15) . . ?
O2 Tb3 O3 71.9(2) . . ?
O2 Tb3 O4 70.2(2) . . ?
O2 Tb3 O5 135.39(19) . . ?
O2 Tb3 O7 92.5(2) . . ?
O2 Tb3 Tb8 110.88(15) . . ?
O2 Tb3 O8 145.9(2) . . ?
O2 Tb3 O22 126.0(2) . . ?
O2 Tb3 O32 78.4(2) . . ?
O3 Tb3 Tb1 36.15(13) . . ?
O3 Tb3 Cl1 66.56(13) . . ?
O3 Tb3 Tb2 39.22(13) . . ?
O3 Tb3 O4 74.6(2) . . ?
O3 Tb3 O7 133.89(18) . . ?
O3 Tb3 Tb8 171.68(13) . . ?
O3 Tb3 O8 139.1(2) . . ?
O3 Tb3 O22 65.80(19) . . ?
O3 Tb3 O32 143.89(19) . . ?
O4 Tb3 Tb1 75.15(14) . . ?
O4 Tb3 Cl1 130.01(15) . . ?
O4 Tb3 Tb2 41.74(16) . . ?
O4 Tb3 Tb8 113.73(15) . . ?
O4 Tb3 O22 67.4(2) . . ?
O4 Tb3 O32 76.4(2) . . ?
O5 Tb3 Tb1 110.22(14) . . ?
O5 Tb3 Cl1 66.66(14) . . ?
O5 Tb3 Tb2 107.97(15) . . ?
O5 Tb3 O3 89.5(2) . . ?
O5 Tb3 O4 144.2(2) . . ?
O5 Tb3 O7 71.4(2) . . ?
O5 Tb3 Tb8 83.10(15) . . ?
O5 Tb3 O8 70.65(19) . . ?
O5 Tb3 O22 76.86(19) . . ?
O5 Tb3 O32 126.4(2) . . ?
O7 Tb3 Tb1 111.69(13) . . ?
O7 Tb3 Cl1 67.34(14) . . ?
O7 Tb3 Tb2 172.80(13) . . ?
O7 Tb3 O4 141.4(2) . . ?
O7 Tb3 Tb8 39.57(13) . . ?
O7 Tb3 O8 74.2(2) . . ?
O7 Tb3 O22 141.30(19) . . ?
O7 Tb3 O32 66.3(2) . . ?
Tb8 Tb3 Tb1 144.323(14) . . ?
Tb8 Tb3 Tb2 147.537(14) . . ?
O8 Tb3 Tb1 174.05(15) . . ?
O8 Tb3 Cl1 129.31(15) . . ?
O8 Tb3 Tb2 112.54(15) . . ?
O8 Tb3 O4 100.63(19) . . ?
O8 Tb3 Tb8 41.16(15) . . ?
O8 Tb3 O22 74.8(2) . . ?
O8 Tb3 O32 67.4(2) . . ?
O22 Tb3 Tb1 99.57(14) . . ?
O22 Tb3 Cl1 118.81(14) . . ?
O22 Tb3 Tb2 42.95(14) . . ?
O22 Tb3 Tb8 115.87(15) . . ?
O32 Tb3 Tb1 114.93(14) . . ?
O32 Tb3 Cl1 120.65(16) . . ?
O32 Tb3 Tb2 117.97(15) . . ?
O32 Tb3 Tb8 43.32(14) . . ?
O32 Tb3 O22 120.5(2) . . ?
Tb1 O3 Tb2 108.7(2) . . ?
Tb1 O3 Tb3 106.8(2) . . ?
Tb1 O3 H3 113.2 . . ?
Tb2 O3 Tb3 100.91(19) . . ?
Tb2 O3 H3 113.2 . . ?
Tb3 O3 H3 113.2 . . ?
H3WA O3W H3WB 102.6 . . ?
Tb6 O3W H3WA 112.5 . . ?
Tb6 O3W H3WB 110.1 . . ?
Tb8 N3 H3A 105.9 . . ?
C8 N3 H3A 105.9 . . ?
C8 N3 Tb8 110.9(6) . . ?
C9 N3 H3A 105.9 . . ?
C9 N3 Tb8 108.0(6) . . ?
C9 N3 C8 119.4(9) . . ?
N1 C3 C1 108.8(11) . . ?
N1 C3 C2 107.9(10) . . ?
N1 C3 C4 115.4(9) . . ?
C2 C3 C1 108.9(11) . . ?
C2 C3 C4 109.5(11) . . ?
C4 C3 C1 106.1(11) . . ?
Tb1 Tb4 Tb3 60.896(11) . . ?
O1 Tb4 Tb1 40.58(13) . . ?
O1 Tb4 O2W 137.3(3) . . ?
O1 Tb4 Tb3 75.04(13) . . ?
O1 Tb4 N5 79.3(3) . 2_655 ?
O1 Tb4 O27 68.0(2) . 2_655 ?
O1 Tb4 O28 77.4(3) . 2_655 ?
O1 Tb4 O29 136.8(3) . 2_655 ?
O1 Tb4 O31 139.7(2) . . ?
O2 Tb4 Tb1 40.29(14) . . ?
O2 Tb4 O1 74.7(2) . . ?
O2 Tb4 O2W 77.7(3) . . ?
O2 Tb4 Tb3 34.95(13) . . ?
O2 Tb4 O4 70.1(2) . . ?
O2 Tb4 N5 128.1(2) . 2_655 ?
O2 Tb4 O27 66.27(19) . 2_655 ?
O2 Tb4 O28 145.4(3) . 2_655 ?
O2 Tb4 O29 147.6(4) . 2_655 ?
O2 Tb4 O31 93.5(2) . . ?
O2W Tb4 Tb1 99.2(2) . . ?
O2W Tb4 Tb3 99.5(2) . . ?
O2W Tb4 N5 93.1(3) . 2_655 ?
O2W Tb4 O27 71.3(3) . 2_655 ?
O2W Tb4 O28 136.7(4) . 2_655 ?
O2W Tb4 O29 72.1(4) . 2_655 ?
O2W Tb4 O31 73.4(3) . . ?
O4 Tb4 Tb1 78.77(14) . . ?
O4 Tb4 O1 66.2(2) . . ?
O4 Tb4 O2W 131.5(3) . . ?
O4 Tb4 Tb3 37.11(15) . . ?
O4 Tb4 N5 135.3(3) . 2_655 ?
O4 Tb4 O27 122.8(2) . 2_655 ?
O4 Tb4 O28 80.2(3) . 2_655 ?
O4 Tb4 O29 123.5(3) . 2_655 ?
O4 Tb4 O31 73.5(2) . . ?
N5 Tb4 Tb1 93.52(18) 2_655 . ?
N5 Tb4 Tb3 152.8(2) 2_655 . ?
O27 Tb4 Tb1 44.04(14) 2_655 . ?
O27 Tb4 Tb3 98.98(13) 2_655 . ?
O27 Tb4 N5 62.5(2) 2_655 2_655 ?
O28 Tb4 Tb1 117.7(3) 2_655 . ?
O28 Tb4 Tb3 117.2(2) 2_655 . ?
O28 Tb4 N5 64.6(3) 2_655 2_655 ?
O28 Tb4 O27 120.4(3) 2_655 2_655 ?
O29 Tb4 Tb1 156.6(2) 2_655 . ?
O29 Tb4 Tb3 140.9(2) 2_655 . ?
O29 Tb4 N5 66.0(3) 2_655 2_655 ?
O29 Tb4 O27 113.2(3) 2_655 2_655 ?
O29 Tb4 O28 65.1(5) 2_655 2_655 ?
O31 Tb4 Tb1 132.54(15) . . ?
O31 Tb4 Tb3 73.98(15) . . ?
O31 Tb4 N5 133.0(2) . 2_655 ?
O31 Tb4 O27 142.2(2) . 2_655 ?
O31 Tb4 O28 94.7(3) . 2_655 ?
O31 Tb4 O29 67.0(3) . 2_655 ?
Tb2 O4 H4 112.8 . . ?
Tb3 O4 Tb2 97.4(2) . . ?
Tb3 O4 H4 112.8 . . ?
Tb4 O4 Tb2 113.7(2) . . ?
Tb4 O4 Tb3 106.4(2) . . ?
Tb4 O4 H4 112.8 . . ?
Tb2 O4W H4WA 114.8 . . ?
Tb2 O4W H4WB 116.4 . . ?
H4WA O4W H4WB 97.4 . . ?
Tb2 N4 H4A 107.3 . . ?
C14 N4 Tb2 110.8(5) . . ?
C14 N4 H4A 107.3 . . ?
C14 N4 C16 117.1(7) . . ?
C16 N4 Tb2 106.6(5) . . ?
C16 N4 H4A 107.3 . . ?
C3 C4 H4B 109.9 . . ?
C3 C4 H4C 109.9 . . ?
H4B C4 H4C 108.3 . . ?
O15 C4 C3 109.1(12) . . ?
O15 C4 H4B 109.9 . . ?
O15 C4 H4C 109.9 . . ?
Cl1 Tb5 Tb5 53.98(3) . 2_655 ?
Cl1 Tb5 Tb6 105.21(3) . . ?
Cl1 Tb5 Tb7 106.04(3) . . ?
O5 Tb5 Cl1 65.81(14) . . ?
O5 Tb5 Tb5 109.27(13) . 2_655 ?
O5 Tb5 Tb6 39.55(13) . . ?
O5 Tb5 O6 74.9(2) . . ?
O5 Tb5 Tb7 170.98(13) . . ?
O5 Tb5 O9 140.8(2) . . ?
O5 Tb5 O11 143.1(2) . . ?
O5 Tb5 O17 66.3(2) . . ?
Tb6 Tb5 Tb5 141.855(18) . 2_655 ?
Tb6 Tb5 Tb7 148.740(15) . . ?
O6 Tb5 Cl1 129.25(14) . . ?
O6 Tb5 Tb5 175.85(15) . 2_655 ?
O6 Tb5 Tb6 41.84(15) . . ?
O6 Tb5 Tb7 114.07(15) . . ?
O6 Tb5 O11 76.1(2) . . ?
O6 Tb5 O17 67.2(2) . . ?
Tb7 Tb5 Tb5 61.782(10) . 2_655 ?
O7 Tb5 Cl1 67.59(14) . . ?
O7 Tb5 Tb5 110.51(13) . 2_655 ?
O7 Tb5 O5 71.6(2) . . ?
O7 Tb5 Tb6 83.08(14) . . ?
O7 Tb5 O6 70.47(19) . . ?
O7 Tb5 Tb7 109.62(15) . . ?
O7 Tb5 O9 145.1(2) . . ?
O7 Tb5 O10 90.6(2) . . ?
O7 Tb5 O10 134.6(2) . 2_655 ?
O7 Tb5 O11 77.6(2) . . ?
O7 Tb5 O17 126.0(2) . . ?
O9 Tb5 Cl1 129.33(14) . . ?
O9 Tb5 Tb5 75.44(14) . 2_655 ?
O9 Tb5 Tb6 114.05(14) . . ?
O9 Tb5 O6 101.4(2) . . ?
O9 Tb5 Tb7 41.18(15) . . ?
O9 Tb5 O11 67.6(2) . . ?
O9 Tb5 O17 76.2(2) . . ?
O10 Tb5 Cl1 67.03(14) 2_655 . ?
O10 Tb5 Cl1 66.54(14) . . ?
O10 Tb5 Tb5 36.96(14) 2_655 2_655 ?
O10 Tb5 Tb5 35.98(13) . 2_655 ?
O10 Tb5 O5 132.35(19) . . ?
O10 Tb5 O5 89.69(19) 2_655 . ?
O10 Tb5 Tb6 108.49(14) 2_655 . ?
O10 Tb5 Tb6 171.20(14) . . ?
O10 Tb5 O6 140.9(2) . . ?
O10 Tb5 O6 144.9(2) 2_655 . ?
O10 Tb5 Tb7 83.29(14) 2_655 . ?
O10 Tb5 Tb7 39.69(14) . . ?
O10 Tb5 O9 70.9(2) 2_655 . ?
O10 Tb5 O9 74.5(2) . . ?
O10 Tb5 O10 71.8(2) 2_655 . ?
O10 Tb5 O11 66.3(2) . . ?
O10 Tb5 O11 126.8(2) 2_655 . ?
O10 Tb5 O17 143.1(2) . . ?
O10 Tb5 O17 77.7(2) 2_655 . ?
O11 Tb5 Cl1 119.67(15) . . ?
O11 Tb5 Tb5 100.04(14) . 2_655 ?
O11 Tb5 Tb6 117.90(14) . . ?
O11 Tb5 Tb7 43.56(15) . . ?
O11 Tb5 O17 121.0(2) . . ?
O17 Tb5 Cl1 119.31(15) . . ?
O17 Tb5 Tb5 114.17(14) . 2_655 ?
O17 Tb5 Tb6 42.94(14) . . ?
O17 Tb5 Tb7 117.28(14) . . ?
Tb3 O5 Tb5 107.3(2) . . ?
Tb3 O5 H5 113.0 . . ?
Tb3 O5 Tb6 109.5(2) . . ?
Tb5 O5 H5 113.0 . . ?
Tb6 O5 Tb5 100.2(2) . . ?
Tb6 O5 H5 113.0 . . ?
H5WA O5W H5WB 101.7 . . ?
Tb8 O5W H5WA 111.4 . . ?
Tb8 O5W H5WB 111.6 . . ?
Tb4 N5 H5A 106.9 2_655 . ?
C20 N5 Tb4 112.4(6) . 2_655 ?
C20 N5 H5A 106.9 . . ?
C20 N5 C21 116.4(9) . . ?
C21 N5 Tb4 106.8(6) . 2_655 ?
C21 N5 H5A 106.9 . . ?
N1 C5 H5B 110.0 . . ?
N1 C5 H5C 110.0 . . ?
N1 C5 C6 108.7(8) . . ?
H5B C5 H5C 108.3 . . ?
C6 C5 H5B 110.0 . . ?
C6 C5 H5C 110.0 . . ?
N2 Tb6 Tb3 152.4(2) . . ?
N2 Tb6 Tb5 93.96(18) . . ?
O3W Tb6 N2 99.7(3) . . ?
O3W Tb6 Tb3 95.4(2) . . ?
O3W Tb6 Tb5 96.44(19) . . ?
O3W Tb6 O17 72.8(2) . . ?
Tb5 Tb6 Tb3 61.222(10) . . ?
O5 Tb6 N2 129.8(2) . . ?
O5 Tb6 Tb3 35.09(13) . . ?
O5 Tb6 O3W 73.8(2) . . ?
O5 Tb6 Tb5 40.27(14) . . ?
O5 Tb6 O6 75.1(2) . . ?
O5 Tb6 O8 70.09(19) . . ?
O5 Tb6 O17 67.37(19) . . ?
O5 Tb6 O18 139.8(3) . . ?
O5 Tb6 O19 148.7(2) . . ?
O5 Tb6 O21 97.7(2) . . ?
O6 Tb6 N2 78.0(3) . . ?
O6 Tb6 Tb3 75.10(13) . . ?
O6 Tb6 O3W 136.4(2) . . ?
O6 Tb6 Tb5 41.37(13) . . ?
O6 Tb6 O17 67.4(2) . . ?
O6 Tb6 O18 139.5(3) . . ?
O6 Tb6 O19 84.2(3) . . ?
O8 Tb6 N2 132.0(3) . . ?
O8 Tb6 Tb3 37.15(13) . . ?
O8 Tb6 O3W 128.1(3) . . ?
O8 Tb6 Tb5 78.79(14) . . ?
O8 Tb6 O6 65.4(2) . . ?
O8 Tb6 O17 122.3(2) . . ?
O8 Tb6 O18 134.4(3) . . ?
O8 Tb6 O19 80.1(2) . . ?
O8 Tb6 O21 73.2(2) . . ?
O17 Tb6 N2 63.3(2) . . ?
O17 Tb6 Tb3 99.89(14) . . ?
O17 Tb6 Tb5 43.63(14) . . ?
O18 Tb6 N2 63.5(3) . . ?
O18 Tb6 Tb3 144.1(2) . . ?
O18 Tb6 O3W 66.3(3) . . ?
O18 Tb6 Tb5 146.7(3) . . ?
O18 Tb6 O17 103.1(3) . . ?
O18 Tb6 O19 69.6(3) . . ?
O19 Tb6 N2 65.9(2) . . ?
O19 Tb6 Tb3 117.02(17) . . ?
O19 Tb6 O3W 135.2(3) . . ?
O19 Tb6 Tb5 125.5(2) . . ?
O19 Tb6 O17 125.4(2) . . ?
O21 Tb6 N2 129.8(2) . . ?
O21 Tb6 Tb3 76.27(15) . . ?
O21 Tb6 O3W 76.3(3) . . ?
O21 Tb6 Tb5 136.14(15) . . ?
O21 Tb6 O6 138.0(2) . . ?
O21 Tb6 O17 148.4(2) . . ?
O21 Tb6 O18 69.7(3) . . ?
O21 Tb6 O19 82.2(3) . . ?
Tb5 O6 Tb6 96.8(2) . . ?
Tb5 O6 H6 113.3 . . ?
Tb6 O6 H6 113.3 . . ?
Tb8 O6 Tb5 105.3(2) . . ?
Tb8 O6 Tb6 113.5(2) . . ?
Tb8 O6 H6 113.3 . . ?
O11 C6 C5 116.8(8) . . ?
O12 C6 C5 119.8(8) . . ?
O12 C6 O11 123.4(9) . . ?
O1W Tb7 N1 96.9(3) . . ?
O1W Tb7 Tb5 96.5(2) . . ?
O1W Tb7 Tb5 96.8(2) . 2_655 ?
O1W Tb7 O11 71.7(3) . . ?
O1W Tb7 O13 136.0(4) . . ?
O1W Tb7 O14 69.1(4) . . ?
O1W Tb7 O16 75.2(3) . 2_655 ?
N1 Tb7 Tb5 152.4(2) . 2_655 ?
N1 Tb7 Tb5 93.5(2) . . ?
Tb5 Tb7 Tb5 61.161(12) . 2_655 ?
O9 Tb7 O1W 135.5(3) . . ?
O9 Tb7 O1W 129.9(3) 2_655 . ?
O9 Tb7 N1 133.0(3) 2_655 . ?
O9 Tb7 N1 78.7(3) . . ?
O9 Tb7 Tb5 78.74(14) 2_655 . ?
O9 Tb7 Tb5 74.80(14) . 2_655 ?
O9 Tb7 Tb5 37.29(14) 2_655 2_655 ?
O9 Tb7 Tb5 40.78(14) . . ?
O9 Tb7 O9 65.3(2) 2_655 . ?
O9 Tb7 O11 121.7(2) 2_655 . ?
O9 Tb7 O11 66.9(2) . . ?
O9 Tb7 O13 80.8(3) 2_655 . ?
O9 Tb7 O13 82.3(3) . . ?
O9 Tb7 O14 140.1(3) . . ?
O9 Tb7 O14 129.2(4) 2_655 . ?
O9 Tb7 O16 139.0(2) . 2_655 ?
O9 Tb7 O16 73.8(2) 2_655 2_655 ?
O10 Tb7 O1W 74.4(3) . . ?
O10 Tb7 N1 128.7(2) . . ?
O10 Tb7 Tb5 35.30(13) . 2_655 ?
O10 Tb7 Tb5 40.27(13) . . ?
O10 Tb7 O9 70.4(2) . 2_655 ?
O10 Tb7 O9 74.7(2) . . ?
O10 Tb7 O11 66.29(19) . . ?
O10 Tb7 O13 148.6(3) . . ?
O10 Tb7 O14 142.4(4) . . ?
O10 Tb7 O16 95.4(2) . 2_655 ?
O11 Tb7 N1 63.1(2) . . ?
O11 Tb7 Tb5 98.98(14) . 2_655 ?
O11 Tb7 Tb5 43.02(15) . . ?
O13 Tb7 N1 64.8(3) . . ?
O13 Tb7 Tb5 122.9(3) . . ?
O13 Tb7 Tb5 118.0(2) . 2_655 ?
O13 Tb7 O11 123.2(3) . . ?
O14 Tb7 N1 65.8(3) . . ?
O14 Tb7 Tb5 141.8(2) . 2_655 ?
O14 Tb7 Tb5 151.9(3) . . ?
O14 Tb7 O11 108.9(4) . . ?
O14 Tb7 O13 67.0(4) . . ?
O16 Tb7 N1 131.9(3) 2_655 . ?
O16 Tb7 Tb5 74.99(15) 2_655 2_655 ?
O16 Tb7 Tb5 134.21(15) 2_655 . ?
O16 Tb7 O11 145.4(2) 2_655 . ?
O16 Tb7 O13 88.1(3) 2_655 . ?
O16 Tb7 O14 67.1(3) 2_655 . ?
Tb3 O7 H7 113.0 . . ?
Tb5 O7 Tb3 107.2(2) . . ?
Tb5 O7 H7 113.0 . . ?
Tb5 O7 Tb8 109.8(2) . . ?
Tb8 O7 Tb3 99.9(2) . . ?
Tb8 O7 H7 113.0 . . ?
O31 C7 C8 117.5(8) . . ?
O31 C7 O32 127.2(8) . . ?
O32 C7 C8 115.2(8) . . ?
Tb3 Tb8 Tb5 61.205(10) . . ?
N3 Tb8 Tb3 94.3(2) . . ?
N3 Tb8 Tb5 153.5(2) . . ?
O5W Tb8 Tb3 96.9(2) . . ?
O5W Tb8 N3 95.4(3) . . ?
O5W Tb8 Tb5 97.4(2) . . ?
O5W Tb8 O12 74.8(3) . . ?
O5W Tb8 O32 71.6(3) . . ?
O5W Tb8 O33 70.7(4) . . ?
O5W Tb8 O34 137.4(3) . . ?
O6 Tb8 Tb3 79.56(15) . . ?
O6 Tb8 N3 134.2(3) . . ?
O6 Tb8 Tb5 37.58(13) . . ?
O6 Tb8 O5W 130.3(3) . . ?
O6 Tb8 O8 66.0(2) . . ?
O6 Tb8 O12 72.8(2) . . ?
O6 Tb8 O32 122.8(2) . . ?
O6 Tb8 O33 125.2(3) . . ?
O6 Tb8 O34 80.2(2) . . ?
O7 Tb8 Tb3 40.49(14) . . ?
O7 Tb8 N3 129.5(2) . . ?
O7 Tb8 Tb5 34.93(13) . . ?
O7 Tb8 O5W 75.2(3) . . ?
O7 Tb8 O6 70.58(19) . . ?
O7 Tb8 O8 74.7(2) . . ?
O7 Tb8 O12 94.0(2) . . ?
O7 Tb8 O32 66.95(19) . . ?
O7 Tb8 O33 143.9(3) . . ?
O7 Tb8 O34 147.0(3) . . ?
O8 Tb8 Tb3 40.75(13) . . ?
O8 Tb8 N3 79.9(3) . . ?
O8 Tb8 Tb5 74.74(13) . . ?
O8 Tb8 O5W 135.8(2) . . ?
O8 Tb8 O12 138.8(2) . . ?
O8 Tb8 O32 67.2(2) . . ?
O8 Tb8 O33 140.0(3) . . ?
O8 Tb8 O34 79.6(3) . . ?
O12 Tb8 Tb3 133.16(14) . . ?
O12 Tb8 N3 131.9(3) . . ?
O12 Tb8 Tb5 74.08(14) . . ?
O12 Tb8 O32 144.5(2) . . ?
O12 Tb8 O34 91.8(3) . . ?
O32 Tb8 Tb3 43.34(14) . . ?
O32 Tb8 N3 63.1(2) . . ?
O32 Tb8 Tb5 99.33(14) . . ?
O33 Tb8 Tb3 154.9(2) . . ?
O33 Tb8 N3 66.3(3) . . ?
O33 Tb8 Tb5 140.1(2) . . ?
O33 Tb8 O12 66.1(3) . . ?
O33 Tb8 O32 111.6(3) . . ?
O33 Tb8 O34 67.0(4) . . ?
O34 Tb8 Tb3 120.1(3) . . ?
O34 Tb8 N3 63.7(3) . . ?
O34 Tb8 Tb5 117.81(19) . . ?
O34 Tb8 O32 120.8(3) . . ?
Tb3 O8 Tb6 105.5(2) . . ?
Tb3 O8 Tb8 98.1(2) . . ?
Tb3 O8 H8 112.7 . . ?
Tb6 O8 Tb8 114.0(2) . . ?
Tb6 O8 H8 112.7 . . ?
Tb8 O8 H8 112.7 . . ?
N3 C8 C7 108.2(8) . . ?
N3 C8 H8A 110.0 . . ?
N3 C8 H8B 110.0 . . ?
C7 C8 H8A 110.0 . . ?
C7 C8 H8B 110.0 . . ?
H8A C8 H8B 108.4 . . ?
Tb5 O9 Tb7 105.4(2) . 2_655 ?
Tb5 O9 Tb7 98.0(2) . . ?
Tb5 O9 H9 112.8 . . ?
Tb7 O9 Tb7 114.0(2) 2_655 . ?
Tb7 O9 H9 112.8 . . ?
Tb7 O9 H9 112.8 2_655 . ?
N3 C9 C11 106.4(11) . . ?
N3 C9 C12 114.7(9) . . ?
C10 C9 N3 109.4(11) . . ?
C10 C9 C11 108.2(11) . . ?
C10 C9 C12 111.3(12) . . ?
C12 C9 C11 106.5(12) . . ?
Tb5 O10 Tb5 107.1(2) 2_655 . ?
Tb5 O10 Tb7 109.0(2) 2_655 . ?
Tb5 O10 H10 113.3 2_655 . ?
Tb5 O10 H10 113.3 . . ?
Tb7 O10 Tb5 100.0(2) . . ?
Tb7 O10 H10 113.3 . . ?
C9 C10 H10A 109.0 . . ?
C9 C10 H10B 109.0 . . ?
C9 C10 O34 112.7(9) . . ?
H10A C10 H10B 107.8 . . ?
O34 C10 H10A 109.0 . . ?
O34 C10 H10B 109.0 . . ?
Tb5 O11 Tb7 93.4(2) . . ?
C6 O11 Tb5 135.2(6) . . ?
C6 O11 Tb7 122.5(6) . . ?
C9 C11 H11A 110.1 . . ?
C9 C11 H11B 110.1 . . ?
H11A C11 H11B 108.4 . . ?
O33 C11 C9 108.2(11) . . ?
O33 C11 H11A 110.1 . . ?
O33 C11 H11B 110.1 . . ?
C6 O12 Tb8 128.1(6) . . ?
C9 C12 H12A 110.2 . . ?
C9 C12 H12B 110.2 . . ?
H12A C12 H12B 108.5 . . ?
O35 C12 C9 107.4(12) . . ?
O35 C12 H12A 110.2 . . ?
O35 C12 H12B 110.2 . . ?
C2 O13 Tb7 119.7(7) . . ?
C2 O13 H13 112(2) . . ?
Tb7 O13 H13 122(2) . . ?
O21 C13 C14 119.3(8) . . ?
O21 C13 O22 123.3(9) . . ?
O22 C13 C14 117.4(8) . . ?
C1 O14 Tb7 122.0(8) . . ?
C1 O14 H14 119.4(18) . . ?
Tb7 O14 H14 118.6(17) . . ?
N4 C14 C13 109.1(7) . . ?
N4 C14 H14A 109.9 . . ?
N4 C14 H14B 109.9 . . ?
C13 C14 H14A 109.9 . . ?
C13 C14 H14B 109.9 . . ?
H14A C14 H14B 108.3 . . ?
C4 O15 H15 109.5 . . ?
H15A C15 H15B 108.0 . . ?
C16 C15 H15A 109.4 . . ?
C16 C15 H15B 109.4 . . ?
O25 C15 H15A 109.4 . . ?
O25 C15 H15B 109.4 . . ?
O25 C15 C16 111.2(9) . . ?
C25 O16 Tb7 126.6(6) . 2_655 ?
N4 C16 C15 113.8(9) . . ?
N4 C16 C17 108.7(8) . . ?
N4 C16 C18 104.8(8) . . ?
C15 C16 C17 110.6(9) . . ?
C15 C16 C18 108.8(8) . . ?
C17 C16 C18 109.9(9) . . ?
Tb6 O17 Tb5 93.4(2) . . ?
C25 O17 Tb5 135.1(6) . . ?
C25 O17 Tb6 123.4(5) . . ?
C16 C17 H17A 109.9 . . ?
C16 C17 H17B 109.9 . . ?
H17A C17 H17B 108.3 . . ?
O24 C17 C16 108.8(8) . . ?
O24 C17 H17A 109.9 . . ?
O24 C17 H17B 109.9 . . ?
Tb6 O18 H18 127(2) . . ?
C30 O18 Tb6 123.5(7) . . ?
C30 O18 H18 107(2) . . ?
C16 C18 H18A 109.2 . . ?
C16 C18 H18B 109.2 . . ?
H18A C18 H18B 107.9 . . ?
O23 C18 C16 112.1(8) . . ?
O23 C18 H18A 109.2 . . ?
O23 C18 H18B 109.2 . . ?
Tb6 O19 H19 128.6(19) . . ?
C29 O19 Tb6 120.0(6) . . ?
C29 O19 H19 109.9(19) . . ?
O26 C19 C20 118.7(8) . . ?
O26 C19 O27 125.0(9) . . ?
O27 C19 C20 116.2(8) . . ?
C28 O20 H20 109.5 . . ?
C28 O20A H20A 109.5 . . ?
N5 C20 C19 108.9(7) . . ?
N5 C20 H20B 109.9 . . ?
N5 C20 H20C 109.9 . . ?
C19 C20 H20B 109.9 . . ?
C19 C20 H20C 109.9 . . ?
H20B C20 H20C 108.3 . . ?
C13 O21 Tb6 125.5(6) . . ?
N5 C21 C22 114.5(9) . . ?
N5 C21 C23 103.2(11) . . ?
C22 C21 C23 109.8(13) . . ?
C24 C21 N5 111.6(12) . . ?
C24 C21 C22 106.8(12) . . ?
C24 C21 C23 110.9(13) . . ?
Tb2 O22 Tb3 92.98(19) . . ?
C13 O22 Tb2 122.0(6) . . ?
C13 O22 Tb3 135.0(7) . . ?
C21 C22 H22A 110.0 . . ?
C21 C22 H22B 110.0 . . ?
H22A C22 H22B 108.3 . . ?
O30 C22 C21 108.7(16) . . ?
O30 C22 H22A 110.0 . . ?
O30 C22 H22B 110.0 . . ?
Tb2 O23 H23A 107.4 . . ?
Tb2 O23 H23B 107.4 . . ?
C18 O23 Tb2 119.7(6) . . ?
C18 O23 H23A 107.4 . . ?
C18 O23 H23B 107.4 . . ?
H23A O23 H23B 106.9 . . ?
C21 C23 H23C 109.5 . . ?
C21 C23 H23D 109.5 . . ?
H23C C23 H23D 108.1 . . ?
O28 C23 C21 110.8(12) . . ?
O28 C23 H23C 109.5 . . ?
O28 C23 H23D 109.5 . . ?
Tb2 O24 H24 127.3(19) . . ?
C17 O24 Tb2 122.8(7) . . ?
C17 O24 H24 108.5(19) . . ?
C21 C24 H24A 110.1 . . ?
C21 C24 H24B 110.1 . . ?
C21 C24 O29 108.2(12) . . ?
H24A C24 H24B 108.4 . . ?
O29 C24 H24A 110.1 . . ?
O29 C24 H24B 110.1 . . ?
C15 O25 H25 109.5 . . ?
O16 C25 O17 124.6(8) . . ?
O16 C25 C26 119.2(8) . . ?
O17 C25 C26 116.1(8) . . ?
C19 O26 Tb2 125.1(6) . . ?
N2 C26 C25 109.0(8) . . ?
N2 C26 H26A 109.9 . . ?
N2 C26 H26B 109.9 . . ?
C25 C26 H26A 109.9 . . ?
C25 C26 H26B 109.9 . . ?
H26A C26 H26B 108.3 . . ?
Tb4 O27 Tb1 92.24(19) 2_655 . ?
C19 O27 Tb1 135.9(6) . . ?
C19 O27 Tb4 123.6(6) . 2_655 ?
N2 C27 C28 112.6(9) . . ?
N2 C27 C29 105.6(9) . . ?
N2 C27 C30 108.2(9) . . ?
C29 C27 C28 107.1(11) . . ?
C30 C27 C28 111.9(10) . . ?
C30 C27 C29 111.3(10) . . ?
Tb4 O28 H28 61(10) 2_655 . ?
C23 O28 Tb4 119.7(9) . 2_655 ?
C23 O28 H28 125(10) . . ?
O20 C28 O20A 115.6(16) . . ?
O20 C28 C27 110.1(14) . . ?
O20 C28 H28A 106.8 . . ?
O20A C28 C27 110.2(12) . . ?
O20A C28 H28A 106.8 . . ?
C27 C28 H28A 106.8 . . ?
Tb4 O29 H29 111(10) 2_655 . ?
C24 O29 Tb4 119.5(8) . 2_655 ?
C24 O29 H29 129(10) . . ?
O19 C29 C27 111.0(9) . . ?
O19 C29 H29A 109.4 . . ?
O19 C29 H29B 109.4 . . ?
C27 C29 H29A 109.4 . . ?
C27 C29 H29B 109.4 . . ?
H29A C29 H29B 108.0 . . ?
C22 O30 H30 109.5 . . ?
O18 C30 C27 109.1(9) . . ?
O18 C30 H30A 109.9 . . ?
O18 C30 H30B 109.9 . . ?
C27 C30 H30A 109.9 . . ?
C27 C30 H30B 109.9 . . ?
H30A C30 H30B 108.3 . . ?
C7 O31 Tb4 127.2(6) . . ?
C7 O32 Tb3 133.4(7) . . ?
C7 O32 Tb8 124.9(6) . . ?
Tb8 O32 Tb3 93.3(2) . . ?
Tb8 O33 H33 119.7 . . ?
C11 O33 Tb8 120.7(9) . . ?
C11 O33 H33 119.7 . . ?
Tb8 O34 H34 132(2) . . ?
C10 O34 Tb8 118.5(7) . . ?
C10 O34 H34 108.3(18) . . ?
C12 O35 H35 109.5 . . ?
O36 N6 O38 113.1(15) . . ?
O37 N6 O36 124.6(16) . . ?
O37 N6 O38 122.1(14) . . ?
O39 N7 O40 118.2(18) . . ?
O39 N7 O41 129(2) . . ?
O41 N7 O40 113.0(18) . . ?

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 C3 C4 O15 -51.6(17) . . . . ?
N1 C5 C6 O11 28.5(13) . . . . ?
N1 C5 C6 O12 -151.2(9) . . . . ?
C1 C3 C4 O15 -172.2(12) . . . . ?
Tb2 N4 C14 C13 -44.6(10) . . . . ?
Tb2 N4 C16 C15 176.7(7) . . . . ?
Tb2 N4 C16 C17 -59.6(8) . . . . ?
Tb2 N4 C16 C18 57.9(8) . . . . ?
N2 C27 C28 O20 162.0(14) . . . . ?
N2 C27 C28 O20A -69.4(18) . . . . ?
N2 C27 C29 O19 -51.5(13) . . . . ?
N2 C27 C30 O18 42.8(12) . . . . ?
C2 C3 C4 O15 70.4(14) . . . . ?
N3 C9 C10 O34 -40.0(18) . . . . ?
N3 C9 C11 O33 55.2(12) . . . . ?
N3 C9 C12 O35 -57.4(18) . . . . ?
C3 N1 C5 C6 -171.5(10) . . . . ?
C3 C1 O14 Tb7 -14.2(18) . . . . ?
C3 C2 O13 Tb7 12.3(16) . . . . ?
Tb4 N5 C20 C19 -43.2(11) 2_655 . . . ?
Tb4 N5 C21 C22 -177.2(13) 2_655 . . . ?
Tb4 N5 C21 C23 63.5(11) 2_655 . . . ?
Tb4 N5 C21 C24 -55.7(12) 2_655 . . . ?
N4 C16 C17 O24 41.2(11) . . . . ?
N4 C16 C18 O23 -50.7(12) . . . . ?
Tb5 O17 C25 O16 45.4(16) . . . . ?
Tb5 O17 C25 C26 -133.5(8) . . . . ?
N5 C21 C22 O30 -50(2) . . . . ?
N5 C21 C23 O28 -46.4(17) . . . . ?
N5 C21 C24 O29 57.0(17) . . . . ?
C5 N1 C3 C1 68.6(12) . . . . ?
C5 N1 C3 C2 -173.5(10) . . . . ?
C5 N1 C3 C4 -50.6(17) . . . . ?
C5 C6 O11 Tb5 -133.7(8) . . . . ?
C5 C6 O11 Tb7 4.2(12) . . . . ?
C5 C6 O12 Tb8 176.2(7) . . . . ?
Tb6 N2 C26 C25 -45.2(11) . . . . ?
Tb6 N2 C27 C28 176.3(10) . . . . ?
Tb6 N2 C27 C29 59.8(10) . . . . ?
Tb6 N2 C27 C30 -59.4(9) . . . . ?
Tb6 O17 C25 O16 -174.8(8) . . . . ?
Tb6 O17 C25 C26 6.3(13) . . . . ?
Tb6 O18 C30 C27 -4.1(13) . . . . ?
Tb6 O19 C29 C27 16.9(13) . . . . ?
Tb7 N1 C3 C1 -58.6(10) . . . . ?
Tb7 N1 C3 C2 59.4(11) . . . . ?
Tb7 N1 C3 C4 -177.7(11) . . . . ?
Tb7 N1 C5 C6 -45.6(10) . . . . ?
Tb7 O16 C25 O17 -2.9(16) 2_655 . . . ?
Tb7 O16 C25 C26 175.9(8) 2_655 . . . ?
Tb8 N3 C8 C7 -45.2(12) . . . . ?
Tb8 N3 C9 C10 58.2(14) . . . . ?
Tb8 N3 C9 C11 -58.4(10) . . . . ?
Tb8 N3 C9 C12 -175.9(12) . . . . ?
C8 N3 C9 C10 -173.9(12) . . . . ?
C8 N3 C9 C11 69.5(13) . . . . ?
C8 N3 C9 C12 -48(2) . . . . ?
C8 C7 O31 Tb4 175.0(8) . . . . ?
C8 C7 O32 Tb3 -136.7(8) . . . . ?
C8 C7 O32 Tb8 2.6(14) . . . . ?
C9 N3 C8 C7 -171.8(11) . . . . ?
C9 C10 O34 Tb8 1.1(18) . . . . ?
C9 C11 O33 Tb8 -24.6(14) . . . . ?
C10 C9 C11 O33 -62.3(12) . . . . ?
C10 C9 C12 O35 67.6(16) . . . . ?
O11 C6 O12 Tb8 -3.6(14) . . . . ?
C11 C9 C10 O34 75.5(14) . . . . ?
C11 C9 C12 O35 -174.7(12) . . . . ?
O12 C6 O11 Tb5 46.0(14) . . . . ?
O12 C6 O11 Tb7 -176.0(7) . . . . ?
C12 C9 C10 O34 -167.8(13) . . . . ?
C12 C9 C11 O33 178.0(10) . . . . ?
O13 C2 C3 N1 -47.6(15) . . . . ?
O13 C2 C3 C1 70.3(13) . . . . ?
O13 C2 C3 C4 -174.1(11) . . . . ?
O14 C1 C3 N1 48.1(15) . . . . ?
O14 C1 C3 C2 -69.2(14) . . . . ?
O14 C1 C3 C4 172.9(12) . . . . ?
C14 N4 C16 C15 -58.6(12) . . . . ?
C14 N4 C16 C17 65.1(10) . . . . ?
C14 N4 C16 C18 -177.4(9) . . . . ?
C14 C13 O21 Tb6 176.6(7) . . . . ?
C14 C13 O22 Tb2 5.5(12) . . . . ?
C14 C13 O22 Tb3 -129.9(8) . . . . ?
C15 C16 C17 O24 166.8(9) . . . . ?
C15 C16 C18 O23 -172.9(10) . . . . ?
O16 C25 C26 N2 -151.2(10) . . . . ?
C16 N4 C14 C13 -167.2(9) . . . . ?
C16 C17 O24 Tb2 -1.8(12) . . . . ?
C16 C18 O23 Tb2 17.1(13) . . . . ?
O17 C25 C26 N2 27.7(14) . . . . ?
C17 C16 C18 O23 65.9(12) . . . . ?
C18 C16 C17 O24 -73.0(11) . . . . ?
C20 N5 C21 C22 -50.8(19) . . . . ?
C20 N5 C21 C23 -170.1(11) . . . . ?
C20 N5 C21 C24 70.7(13) . . . . ?
C20 C19 O26 Tb2 172.5(8) . . . . ?
C20 C19 O27 Tb1 -131.0(9) . . . . ?
C20 C19 O27 Tb4 7.8(13) . . . 2_655 ?
O21 C13 C14 N4 -151.0(9) . . . . ?
O21 C13 O22 Tb2 -176.2(7) . . . . ?
O21 C13 O22 Tb3 48.4(14) . . . . ?
C21 N5 C20 C19 -166.8(10) . . . . ?
C21 C23 O28 Tb4 6.2(19) . . . 2_655 ?
C21 C24 O29 Tb4 -29.3(19) . . . 2_655 ?
O22 C13 C14 N4 27.4(13) . . . . ?
O22 C13 O21 Tb6 -1.7(14) . . . . ?
C22 C21 C23 O28 -168.9(13) . . . . ?
C22 C21 C24 O29 -177.2(13) . . . . ?
C23 C21 C22 O30 65.4(17) . . . . ?
C23 C21 C24 O29 -57.6(16) . . . . ?
C24 C21 C22 O30 -174.3(16) . . . . ?
C24 C21 C23 O28 73.3(16) . . . . ?
O25 C15 C16 N4 -64.0(12) . . . . ?
O25 C15 C16 C17 173.3(10) . . . . ?
O25 C15 C16 C18 52.5(13) . . . . ?
O26 C19 C20 N5 -152.6(10) . . . . ?
O26 C19 O27 Tb1 46.1(15) . . . . ?
O26 C19 O27 Tb4 -175.2(8) . . . 2_655 ?
C26 N2 C27 C28 -60.0(15) . . . . ?
C26 N2 C27 C29 -176.6(10) . . . . ?
C26 N2 C27 C30 64.3(12) . . . . ?
O27 C19 C20 N5 24.6(14) . . . . ?
O27 C19 O26 Tb2 -4.5(15) . . . . ?
C27 N2 C26 C25 -167.2(9) . . . . ?
C28 C27 C29 O19 -171.8(10) . . . . ?
C28 C27 C30 O18 167.5(10) . . . . ?
C29 C27 C28 O20 -82.4(17) . . . . ?
C29 C27 C28 O20A 46.3(17) . . . . ?
C29 C27 C30 O18 -72.8(11) . . . . ?
C30 C27 C28 O20 39.8(18) . . . . ?
C30 C27 C28 O20A 168.5(14) . . . . ?
C30 C27 C29 O19 65.6(12) . . . . ?
O31 C7 C8 N3 -151.4(11) . . . . ?
O31 C7 O32 Tb3 44.4(17) . . . . ?
O31 C7 O32 Tb8 -176.2(9) . . . . ?
O32 C7 C8 N3 29.6(15) . . . . ?
O32 C7 O31 Tb4 -6.2(18) . . . . ?

_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 1.550
_oxdiff_exptl_absorpt_empirical_full_min 0.731
