# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
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# 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 
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data_Cr6Dy6
_database_code_depnum_ccdc_archive 'CCDC 1815394'
_audit_update_record             
;
2018-01-08 deposited with the CCDC.
2018-05-01 downloaded from the CCDC.
;
_audit_creation_date             2017-12-27
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C160 H190 Cr6 Dy6 N6 O52, 2(H2 O)'
_chemical_formula_sum            'C160 H194 Cr6 Dy6 N6 O54'
_chemical_formula_weight         4352.20
_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'
Cr Cr 0.3209 0.6236 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   34.998
_cell_length_b                   16.991
_cell_length_c                   34.268
_cell_angle_alpha                90
_cell_angle_beta                 116.41
_cell_angle_gamma                90
_cell_volume                     18251.7
_cell_formula_units_Z            4
_cell_measurement_reflns_used    27405
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.5359
_cell_measurement_theta_min      2.9390
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.843
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7416
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_process_details   
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            Purple
_exptl_crystal_density_diffrn    1.584
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       Prism
_exptl_crystal_F_000             8672
_exptl_crystal_size_max          0.2500
_exptl_crystal_size_mid          0.2000
_exptl_crystal_size_min          0.1500
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0703
_diffrn_reflns_av_unetI/netI     0.0703
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            62593
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.027
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_min         2.940
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  
;
Saturn724+ (2x2 bin mode)
;
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13649
_reflns_number_total             16059
_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       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.661
_refine_diff_density_min         -0.998
_refine_diff_density_rms         0.110
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.171
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1073
_refine_ls_number_reflns         16059
_refine_ls_number_restraints     7
_refine_ls_R_factor_all          0.0739
_refine_ls_R_factor_gt           0.0612
_refine_ls_restrained_S_all      1.171
_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)+(0.0336P)²+46.1481P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1153
_refine_ls_wR_factor_ref         0.1211
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Restrained distances
 O1-H1
 0.85 with sigma of 0.01
 O2-H2
 0.85 with sigma of 0.01
 O3-H3
 0.85 with sigma of 0.01
 O4-H4
 0.85 with sigma of 0.01
 H1-O26
 3.4 with sigma of 0.02
 H3-O24
 1.9 with sigma of 0.02
 H4-O16
 3 with sigma of 0.02
3.a Free rotating group:
 O27(H27C,H27D)
3.b Secondary CH2 refined with riding coordinates:
 C19(H19A,H19B), C1(H1A,H1B), C2(H2A,H2B), C4(H4A,H4B), C16(H16A,H16B),
 C17(H17A,H17B), C24(H24A,H24B), C3(H3A,H3B), C18(H18A,H18B), C27(H27A,H27B),
 C26(H26A,H26B), C25(H25A,H25B)
3.c Aromatic/amide H refined with riding coordinates:
 C45(H45), C52(H52), C55(H55), C36(H36), C41(H41), C59(H59), C48(H48),
 C15(H15), C49(H49), C11(H11), C50(H50), C34(H34), C62(H62), C51(H51), C56(H56),
  C69(H69), C44(H44), C42(H42), C38(H38), C80(H80), C57(H57), C58(H58),
 C65(H65), C43(H43), C37(H37), C35(H35), C12(H12), C14(H14), C13(H13), C64(H64),
  C63(H63), C66(H66), C70(H70), C79(H79), C77(H77), C76(H76), C78(H78),
 C73(H73), C71(H71), C72(H72)
3.d Idealised Me refined as rotating group:
 C6(H6A,H6B,H6C), C21(H21A,H21B,H21C), C8(H8A,H8B,H8C), C7(H7A,H7B,H7C),
 C23(H23A,H23B,H23C), C30(H30A,H30B,H30C), C22(H22A,H22B,H22C), C31(H31A,H31B,
 H31C), C29(H29A,H29B,H29C)
;
_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
Dy1 Dy 0.34344(2) 0.29792(2) 0.97427(2) 0.03598(10) Uani 1 1 d . . . . .
Dy3 Dy 0.23969(2) 0.19339(2) 0.88485(2) 0.03616(10) Uani 1 1 d . . . . .
Dy2 Dy 0.35706(2) 0.12524(2) 0.90172(2) 0.04212(11) Uani 1 1 d . . . . .
Cr1 Cr 0.43372(4) 0.19700(8) 0.99536(4) 0.0429(3) Uani 1 1 d . . . . .
Cr2 Cr 0.26668(4) 0.01397(7) 0.85868(4) 0.0364(3) Uani 1 1 d . . . . .
Cr3 Cr 0.26381(4) 0.38753(7) 0.88864(4) 0.0356(3) Uani 1 1 d . . . . .
O2 O 0.26659(14) 0.3083(3) 0.93135(15) 0.0314(11) Uani 1 1 d D . . . .
O10 O 0.32445(14) 0.3720(3) 0.91244(15) 0.0390(12) Uani 1 1 d . . . . .
O26 O 0.20904(15) 0.1673(3) 0.93329(16) 0.0414(12) Uani 1 1 d D . . . .
O4 O 0.28217(15) 0.1243(3) 0.85294(15) 0.0373(12) Uani 1 1 d D . . . .
O3 O 0.38792(15) 0.2425(3) 0.94238(16) 0.0374(12) Uani 1 1 d D . . . .
O1 O 0.31343(14) 0.1751(3) 0.93806(16) 0.0319(11) Uani 1 1 d D . . . .
O8 O 0.24110(14) 0.0551(3) 0.89404(15) 0.0366(11) Uani 1 1 d . . . . .
O9 O 0.25297(15) 0.2985(3) 0.84973(15) 0.0382(12) Uani 1 1 d . . . . .
O11 O 0.40492(16) 0.3762(3) 1.00088(18) 0.0513(15) Uani 1 1 d . . . . .
O23 O 0.35084(17) 0.2118(3) 0.84616(18) 0.0511(14) Uani 1 1 d . . . . .
O7 O 0.32236(15) 0.0072(3) 0.90864(16) 0.0422(13) Uani 1 1 d . . . . .
O20 O 0.20061(15) 0.4038(3) 0.86703(16) 0.0449(13) Uani 1 1 d . . . . .
O25 O 0.32871(15) 0.2813(3) 1.03556(15) 0.0386(12) Uani 1 1 d . . . . .
O5 O 0.39751(15) 0.2148(3) 1.02359(15) 0.0406(12) Uani 1 1 d . . . . .
O17 O 0.21186(15) 0.0238(3) 0.80473(15) 0.0425(13) Uani 1 1 d . . . . .
O12 O 0.46190(15) 0.3011(3) 1.01572(17) 0.0494(14) Uani 1 1 d . . . . .
O19 O 0.17867(15) 0.2781(3) 0.86447(17) 0.0462(14) Uani 1 1 d . . . . .
O18 O 0.18942(15) 0.1425(3) 0.81597(15) 0.0434(13) Uani 1 1 d . . . . .
O21 O 0.27291(15) 0.4790(3) 0.92941(15) 0.0428(13) Uani 1 1 d . . . . .
O22 O 0.32147(16) 0.4230(3) 0.99127(15) 0.0430(13) Uani 1 1 d . . . . .
O13 O 0.47188(16) 0.1816(4) 0.96656(18) 0.0554(16) Uani 1 1 d . . . . .
O6 O 0.40604(16) 0.0951(3) 0.97328(16) 0.0483(14) Uani 1 1 d . . . . .
O14 O 0.42716(17) 0.1245(4) 0.90363(18) 0.0567(16) Uani 1 1 d . . . . .
O16 O 0.29225(16) -0.0347(3) 0.82202(16) 0.0464(13) Uani 1 1 d D . . . .
O27 O 0.22357(19) 0.3523(4) 0.98013(18) 0.0563(15) Uani 1 1 d . . . . .
H27C H 0.2425 0.3453 1.0061 0.084 Uiso 1 1 d G . . . .
H27D H 0.2079 0.3116 0.9744 0.084 Uiso 1 1 d G . . . .
O15 O 0.35283(17) 0.0374(3) 0.84565(18) 0.0533(15) Uani 1 1 d . . . . .
N2 N 0.2565(2) -0.0979(4) 0.8842(2) 0.0469(17) Uani 1 1 d . . . . .
N3 N 0.2737(2) 0.4516(4) 0.8374(2) 0.0451(16) Uani 1 1 d . . . . .
O24 O 0.4016(2) 0.3020(4) 0.8742(2) 0.082(2) Uani 1 1 d D . . . .
C19 C 0.2557(3) 0.3139(5) 0.8106(2) 0.051(2) Uani 1 1 d . . . . .
H19A H 0.2343 0.2833 0.7872 0.062 Uiso 1 1 calc R . . . .
H19B H 0.2835 0.2982 0.8137 0.062 Uiso 1 1 calc R . . . .
C32 C 0.1720(2) 0.3502(5) 0.8595(2) 0.0429(19) Uani 1 1 d . . . . .
C53 C 0.3257(2) 0.3231(4) 1.0644(2) 0.0356(17) Uani 1 1 d . . . . .
C60 C 0.4441(3) 0.3663(5) 1.0157(2) 0.046(2) Uani 1 1 d . . . . .
C54 C 0.3647(2) 0.3659(5) 1.0965(2) 0.0392(18) Uani 1 1 d . . . . .
C1 C 0.3337(3) -0.0678(5) 0.9289(3) 0.061(2) Uani 1 1 d . . . . .
H1A H 0.3354 -0.0650 0.9579 0.073 Uiso 1 1 calc R . . . .
H1B H 0.3617 -0.0826 0.9318 0.073 Uiso 1 1 calc R . . . .
N1 N 0.4701(2) 0.1263(4) 1.0533(2) 0.056(2) Uani 1 1 d . . . . .
C33 C 0.1264(2) 0.3794(6) 0.8420(2) 0.051(2) Uani 1 1 d . . . . .
C39 C 0.1846(2) 0.0785(5) 0.7961(2) 0.0410(18) Uani 1 1 d . . . . .
C2 C 0.3011(3) -0.1304(5) 0.9023(3) 0.059(2) Uani 1 1 d . . . . .
H2A H 0.3070 -0.1480 0.8786 0.071 Uiso 1 1 calc R . . . .
H2B H 0.3036 -0.1754 0.9207 0.071 Uiso 1 1 calc R . . . .
C5 C 0.2234(3) -0.1588(5) 0.8541(3) 0.054(2) Uani 1 1 d . . . . .
C4 C 0.2458(3) -0.0774(5) 0.9209(3) 0.055(2) Uani 1 1 d . . . . .
H4A H 0.2637 -0.1082 0.9464 0.066 Uiso 1 1 calc R . . . .
H4B H 0.2164 -0.0914 0.9127 0.066 Uiso 1 1 calc R . . . .
C47 C 0.3078(2) 0.5591(5) 0.9924(3) 0.0445(19) Uani 1 1 d . . . . .
C16 C 0.3213(3) 0.4400(5) 0.8509(3) 0.057(2) Uani 1 1 d . . . . .
H16A H 0.3251 0.3941 0.8361 0.069 Uiso 1 1 calc R . . . .
H16B H 0.3321 0.4854 0.8418 0.069 Uiso 1 1 calc R . . . .
C45 C 0.1085(3) 0.1161(5) 0.7487(3) 0.061(2) Uani 1 1 d . . . . .
H45 H 0.1121 0.1575 0.7678 0.073 Uiso 1 1 calc R . . . .
C52 C 0.2834(3) 0.6244(5) 0.9727(3) 0.062(3) Uani 1 1 d . . . . .
H52 H 0.2610 0.6203 0.9449 0.075 Uiso 1 1 calc R . . . .
C9 C 0.3295(3) -0.0196(5) 0.8252(2) 0.046(2) Uani 1 1 d . . . . .
C17 C 0.3460(2) 0.4296(5) 0.8985(3) 0.047(2) Uani 1 1 d . . . . .
H17A H 0.3746 0.4118 0.9054 0.056 Uiso 1 1 calc R . . . .
H17B H 0.3480 0.4792 0.9132 0.056 Uiso 1 1 calc R . . . .
C24 C 0.3960(3) 0.1486(5) 1.0474(3) 0.054(2) Uani 1 1 d . . . . .
H24A H 0.3792 0.1073 1.0276 0.065 Uiso 1 1 calc R . . . .
H24B H 0.3827 0.1625 1.0660 0.065 Uiso 1 1 calc R . . . .
C55 C 0.4049(3) 0.3475(6) 1.0994(3) 0.056(2) Uani 1 1 d . . . . .
H55 H 0.4074 0.3091 1.0812 0.067 Uiso 1 1 calc R . . . .
C36 C 0.0941(3) 0.3236(6) 0.8302(3) 0.063(3) Uani 1 1 d . . . . .
H36 H 0.1003 0.2702 0.8340 0.075 Uiso 1 1 calc R . . . .
C46 C 0.3006(2) 0.4803(4) 0.9697(2) 0.0382(17) Uani 1 1 d . . . . .
C3 C 0.2523(3) 0.0100(4) 0.9324(2) 0.049(2) Uani 1 1 d . . . . .
H3A H 0.2347 0.0255 0.9464 0.058 Uiso 1 1 calc R . . . .
H3B H 0.2819 0.0197 0.9526 0.058 Uiso 1 1 calc R . . . .
C10 C 0.3467(3) -0.0732(5) 0.8024(3) 0.050(2) Uani 1 1 d . . . . .
C67 C 0.4623(3) 0.1527(5) 0.9292(3) 0.051(2) Uani 1 1 d . . . . .
C40 C 0.1424(2) 0.0645(5) 0.7566(2) 0.046(2) Uani 1 1 d . . . . .
C41 C 0.1362(3) 0.0045(5) 0.7278(3) 0.058(2) Uani 1 1 d . . . . .
H41 H 0.1584 -0.0307 0.7331 0.070 Uiso 1 1 calc R . . . .
C18 C 0.2488(3) 0.3992(5) 0.7998(2) 0.049(2) Uani 1 1 d . . . . .
H18A H 0.2567 0.4104 0.7766 0.058 Uiso 1 1 calc R . . . .
H18B H 0.2187 0.4111 0.7890 0.058 Uiso 1 1 calc R . . . .
C59 C 0.3624(3) 0.4215(5) 1.1249(3) 0.056(2) Uani 1 1 d . . . . .
H59 H 0.3361 0.4329 1.1241 0.067 Uiso 1 1 calc R . . . .
C6 C 0.2324(3) -0.1785(6) 0.8154(3) 0.069(3) Uani 1 1 d . . . . .
H6A H 0.2338 -0.1307 0.8012 0.103 Uiso 1 1 calc GR . . . .
H6B H 0.2100 -0.2112 0.7952 0.103 Uiso 1 1 calc GR . . . .
H6C H 0.2591 -0.2059 0.8256 0.103 Uiso 1 1 calc GR . . . .
C61 C 0.4729(3) 0.4365(6) 1.0366(3) 0.056(2) Uani 1 1 d . . . . .
C74 C 0.3797(3) 0.2538(6) 0.8449(3) 0.060(2) Uani 1 1 d . . . . .
C21 C 0.2920(3) 0.5931(5) 0.8623(3) 0.068(3) Uani 1 1 d . . . . .
H21A H 0.2942 0.5775 0.8902 0.101 Uiso 1 1 calc GR . . . .
H21B H 0.2818 0.6463 0.8562 0.101 Uiso 1 1 calc GR . . . .
H21C H 0.3196 0.5898 0.8627 0.101 Uiso 1 1 calc GR . . . .
C48 C 0.3410(3) 0.5658(5) 1.0342(3) 0.057(2) Uani 1 1 d . . . . .
H48 H 0.3574 0.5221 1.0480 0.069 Uiso 1 1 calc R . . . .
C15 C 0.3368(3) -0.1525(6) 0.7982(3) 0.064(3) Uani 1 1 d . . . . .
H15 H 0.3186 -0.1725 0.8090 0.077 Uiso 1 1 calc R . . . .
C8 C 0.1781(3) -0.1234(6) 0.8356(3) 0.072(3) Uani 1 1 d . . . . .
H8A H 0.1688 -0.1218 0.8581 0.108 Uiso 1 1 calc GR . . . .
H8B H 0.1588 -0.1553 0.8120 0.108 Uiso 1 1 calc GR . . . .
H8C H 0.1784 -0.0710 0.8253 0.108 Uiso 1 1 calc GR . . . .
C49 C 0.3495(3) 0.6387(7) 1.0552(3) 0.076(3) Uani 1 1 d . . . . .
H49 H 0.3722 0.6434 1.0828 0.091 Uiso 1 1 calc R . . . .
C7 C 0.2245(3) -0.2356(5) 0.8788(3) 0.074(3) Uani 1 1 d . . . . .
H7A H 0.2522 -0.2592 0.8893 0.111 Uiso 1 1 calc GR . . . .
H7B H 0.2034 -0.2715 0.8594 0.111 Uiso 1 1 calc GR . . . .
H7C H 0.2185 -0.2238 0.9029 0.111 Uiso 1 1 calc GR . . . .
C11 C 0.3737(3) -0.0435(6) 0.7862(3) 0.063(3) Uani 1 1 d . . . . .
H11 H 0.3806 0.0097 0.7894 0.076 Uiso 1 1 calc R . . . .
C50 C 0.3250(4) 0.7033(6) 1.0358(4) 0.078(3) Uani 1 1 d . . . . .
H50 H 0.3305 0.7510 1.0506 0.094 Uiso 1 1 calc R . . . .
C75 C 0.3916(3) 0.2444(6) 0.8082(3) 0.065(3) Uani 1 1 d . . . . .
C27 C 0.4276(3) 0.0286(6) 0.9977(3) 0.068(3) Uani 1 1 d . . . . .
H27A H 0.4299 -0.0108 0.9784 0.081 Uiso 1 1 calc R . . . .
H27B H 0.4114 0.0061 1.0117 0.081 Uiso 1 1 calc R . . . .
C26 C 0.4718(3) 0.0504(6) 1.0320(3) 0.073(3) Uani 1 1 d . . . . .
H26A H 0.4827 0.0091 1.0537 0.087 Uiso 1 1 calc R . . . .
H26B H 0.4909 0.0558 1.0186 0.087 Uiso 1 1 calc R . . . .
C68 C 0.4970(3) 0.1542(6) 0.9148(3) 0.061(2) Uani 1 1 d . . . . .
C20 C 0.2606(3) 0.5379(5) 0.8266(3) 0.060(2) Uani 1 1 d . . . . .
C25 C 0.4417(3) 0.1197(6) 1.0752(3) 0.066(3) Uani 1 1 d . . . . .
H25A H 0.4540 0.1499 1.1021 0.079 Uiso 1 1 calc R . . . .
H25B H 0.4407 0.0651 1.0829 0.079 Uiso 1 1 calc R . . . .
C23 C 0.2164(3) 0.5514(5) 0.8241(3) 0.071(3) Uani 1 1 d . . . . .
H23A H 0.1962 0.5171 0.8025 0.107 Uiso 1 1 calc GR . . . .
H23B H 0.2081 0.6051 0.8162 0.107 Uiso 1 1 calc GR . . . .
H23C H 0.2172 0.5405 0.8519 0.107 Uiso 1 1 calc GR . . . .
C30 C 0.5133(3) 0.2281(6) 1.1103(3) 0.087(4) Uani 1 1 d . . . . .
H30A H 0.4927 0.2633 1.0898 0.130 Uiso 1 1 calc GR . . . .
H30B H 0.5409 0.2529 1.1228 0.130 Uiso 1 1 calc GR . . . .
H30C H 0.5053 0.2156 1.1329 0.130 Uiso 1 1 calc GR . . . .
C34 C 0.1173(3) 0.4594(6) 0.8369(3) 0.077(3) Uani 1 1 d . . . . .
H34 H 0.1391 0.4963 0.8447 0.092 Uiso 1 1 calc R . . . .
C62 C 0.5157(3) 0.4307(7) 1.0494(3) 0.080(3) Uani 1 1 d . . . . .
H62 H 0.5279 0.3842 1.0459 0.096 Uiso 1 1 calc R . . . .
C51 C 0.2922(4) 0.6971(6) 0.9945(3) 0.077(3) Uani 1 1 d . . . . .
H51 H 0.2759 0.7410 0.9809 0.093 Uiso 1 1 calc R . . . .
C56 C 0.4412(3) 0.3865(7) 1.1292(3) 0.082(4) Uani 1 1 d . . . . .
H56 H 0.4678 0.3747 1.1308 0.098 Uiso 1 1 calc R . . . .
C69 C 0.4885(3) 0.1307(7) 0.8736(4) 0.083(3) Uani 1 1 d . . . . .
H69 H 0.4614 0.1135 0.8545 0.099 Uiso 1 1 calc R . . . .
C28 C 0.5152(3) 0.1517(7) 1.0866(3) 0.074(3) Uani 1 1 d . . . . .
C44 C 0.0696(3) 0.1056(7) 0.7124(3) 0.091(4) Uani 1 1 d . . . . .
H44 H 0.0468 0.1387 0.7074 0.109 Uiso 1 1 calc R . . . .
C22 C 0.2609(3) 0.5641(6) 0.7836(3) 0.075(3) Uani 1 1 d . . . . .
H22A H 0.2886 0.5546 0.7852 0.113 Uiso 1 1 calc GR . . . .
H22B H 0.2545 0.6193 0.7792 0.113 Uiso 1 1 calc GR . . . .
H22C H 0.2399 0.5349 0.7598 0.113 Uiso 1 1 calc GR . . . .
C42 C 0.0984(3) -0.0052(7) 0.6912(3) 0.083(3) Uani 1 1 d . . . . .
H42 H 0.0952 -0.0457 0.6717 0.099 Uiso 1 1 calc R . . . .
C38 C 0.0433(4) 0.4295(9) 0.8080(4) 0.095(4) Uani 1 1 d . . . . .
H38 H 0.0152 0.4468 0.7965 0.114 Uiso 1 1 calc R . . . .
C80 C 0.3707(3) 0.1888(7) 0.7758(3) 0.079(3) Uani 1 1 d . . . . .
H80 H 0.3486 0.1591 0.7763 0.095 Uiso 1 1 calc R . . . .
C57 C 0.4374(3) 0.4430(7) 1.1566(3) 0.085(4) Uani 1 1 d . . . . .
H57 H 0.4616 0.4691 1.1766 0.102 Uiso 1 1 calc R . . . .
C58 C 0.3985(3) 0.4606(6) 1.1546(3) 0.075(3) Uani 1 1 d . . . . .
H58 H 0.3961 0.4985 1.1730 0.090 Uiso 1 1 calc R . . . .
C65 C 0.4554(3) 0.5056(6) 1.0405(4) 0.081(3) Uani 1 1 d . . . . .
H65 H 0.4260 0.5097 1.0301 0.097 Uiso 1 1 calc R . . . .
C43 C 0.0652(3) 0.0453(8) 0.6836(3) 0.095(4) Uani 1 1 d . . . . .
H43 H 0.0394 0.0390 0.6588 0.114 Uiso 1 1 calc R . . . .
C37 C 0.0518(3) 0.3502(9) 0.8125(3) 0.090(4) Uani 1 1 d . . . . .
H37 H 0.0295 0.3142 0.8037 0.108 Uiso 1 1 calc R . . . .
C31 C 0.5428(3) 0.1699(7) 1.0630(4) 0.099(4) Uani 1 1 d . . . . .
H31A H 0.5440 0.1242 1.0471 0.148 Uiso 1 1 calc GR . . . .
H31B H 0.5711 0.1838 1.0841 0.148 Uiso 1 1 calc GR . . . .
H31C H 0.5304 0.2129 1.0432 0.148 Uiso 1 1 calc GR . . . .
C35 C 0.0752(4) 0.4829(9) 0.8200(4) 0.107(4) Uani 1 1 d . . . . .
H35 H 0.0687 0.5363 0.8169 0.128 Uiso 1 1 calc R . . . .
C12 C 0.3904(3) -0.0924(8) 0.7653(3) 0.081(3) Uani 1 1 d . . . . .
H12 H 0.4074 -0.0718 0.7532 0.098 Uiso 1 1 calc R . . . .
C14 C 0.3541(4) -0.2031(7) 0.7777(4) 0.090(4) Uani 1 1 d . . . . .
H14 H 0.3473 -0.2563 0.7743 0.109 Uiso 1 1 calc R . . . .
C13 C 0.3816(4) -0.1719(8) 0.7625(4) 0.094(4) Uani 1 1 d . . . . .
H13 H 0.3943 -0.2052 0.7502 0.113 Uiso 1 1 calc R . . . .
C64 C 0.5239(5) 0.5659(8) 1.0733(4) 0.105(5) Uani 1 1 d . . . . .
H64 H 0.5413 0.6092 1.0858 0.126 Uiso 1 1 calc R . . . .
C63 C 0.5406(4) 0.4973(9) 1.0680(4) 0.105(5) Uani 1 1 d . . . . .
H63 H 0.5699 0.4944 1.0772 0.126 Uiso 1 1 calc R . . . .
C29 C 0.5371(3) 0.0864(7) 1.1211(3) 0.113(5) Uani 1 1 d . . . . .
H29A H 0.5178 0.0686 1.1322 0.170 Uiso 1 1 calc GR . . . .
H29B H 0.5624 0.1072 1.1445 0.170 Uiso 1 1 calc GR . . . .
H29C H 0.5445 0.0431 1.1078 0.170 Uiso 1 1 calc GR . . . .
C66 C 0.4813(4) 0.5704(7) 1.0601(4) 0.103(4) Uani 1 1 d . . . . .
H66 H 0.4693 0.6167 1.0640 0.124 Uiso 1 1 calc R . . . .
C70 C 0.5374(4) 0.1790(8) 0.9429(4) 0.103(4) Uani 1 1 d . . . . .
H70 H 0.5428 0.1973 0.9705 0.124 Uiso 1 1 calc R . . . .
C79 C 0.3831(4) 0.1777(9) 0.7423(4) 0.111(5) Uani 1 1 d . . . . .
H79 H 0.3688 0.1414 0.7203 0.133 Uiso 1 1 calc R . . . .
C77 C 0.4362(5) 0.2774(11) 0.7720(5) 0.144(7) Uani 1 1 d . . . . .
H77 H 0.4566 0.3097 0.7697 0.173 Uiso 1 1 calc R . . . .
C76 C 0.4254(4) 0.2862(8) 0.8064(4) 0.109(4) Uani 1 1 d . . . . .
H76 H 0.4411 0.3210 0.8288 0.130 Uiso 1 1 calc R . . . .
C78 C 0.4165(5) 0.2209(10) 0.7422(5) 0.125(6) Uani 1 1 d . . . . .
H78 H 0.4256 0.2106 0.7210 0.150 Uiso 1 1 calc R . . . .
C73 C 0.5211(5) 0.1326(10) 0.8606(5) 0.134(6) Uani 1 1 d . . . . .
H73 H 0.5152 0.1189 0.8322 0.160 Uiso 1 1 calc R . . . .
C71 C 0.5704(5) 0.1770(12) 0.9304(6) 0.166(8) Uani 1 1 d . . . . .
H71 H 0.5980 0.1908 0.9500 0.199 Uiso 1 1 calc R . . . .
C72 C 0.5614(5) 0.1544(12) 0.8891(6) 0.165(8) Uani 1 1 d . . . . .
H72 H 0.5830 0.1538 0.8803 0.198 Uiso 1 1 calc R . . . .
H3 H 0.389(3) 0.263(8) 0.920(3) 0.19(7) Uiso 1 1 d D . . . .
H2 H 0.2497(15) 0.319(4) 0.9423(18) 0.025(19) Uiso 1 1 d D . . . .
H4 H 0.2799(16) 0.1379(12) 0.8283(8) 0.008(15) Uiso 1 1 d D . . . .
H1 H 0.3126(12) 0.137(4) 0.954(3) 0.11(4) Uiso 1 1 d 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
Dy1 Dy3 3.9789(5) . ?
Dy1 Cr1 3.3788(12) . ?
Dy1 Cr3 3.3796(11) . ?
Dy1 O2 2.431(5) . ?
Dy1 O10 2.294(5) . ?
Dy1 O3 2.453(5) . ?
Dy1 O1 2.416(5) . ?
Dy1 O11 2.342(5) . ?
Dy1 O25 2.391(5) . ?
Dy1 O5 2.364(5) . ?
Dy1 O22 2.418(5) . ?
Dy3 Cr2 3.4268(12) . ?
Dy3 Cr3 3.3931(13) . ?
Dy3 O2 2.429(5) . ?
Dy3 O26 2.384(5) . ?
Dy3 O4 2.496(5) . ?
Dy3 O1 2.428(4) . ?
Dy3 O8 2.368(5) . ?
Dy3 O9 2.313(5) . ?
Dy3 O19 2.407(5) . ?
Dy3 O18 2.392(5) . ?
Dy2 Cr1 3.3652(12) . ?
Dy2 Cr2 3.4068(12) . ?
Dy2 O4 2.402(5) . ?
Dy2 O3 2.396(5) . ?
Dy2 O1 2.508(4) . ?
Dy2 O23 2.338(6) . ?
Dy2 O7 2.411(5) . ?
Dy2 O6 2.340(5) . ?
Dy2 O14 2.425(5) . ?
Dy2 O15 2.385(5) . ?
Cr1 O3 1.969(5) . ?
Cr1 O5 1.930(5) . ?
Cr1 O12 1.993(6) . ?
Cr1 O13 1.999(5) . ?
Cr1 O6 1.964(6) . ?
Cr1 N1 2.182(7) . ?
Cr2 O4 1.986(5) . ?
Cr2 O8 1.929(5) . ?
Cr2 O7 1.943(5) . ?
Cr2 O17 1.993(5) . ?
Cr2 O16 2.016(5) . ?
Cr2 N2 2.186(7) . ?
Cr3 O2 1.959(5) . ?
Cr3 O10 1.923(5) . ?
Cr3 O9 1.939(5) . ?
Cr3 O20 2.015(5) . ?
Cr3 O21 2.018(5) . ?
Cr3 N3 2.220(6) . ?
O10 C17 1.440(9) . ?
O26 C53 1.263(8) 7_557 ?
O8 C3 1.418(8) . ?
O9 C19 1.409(8) . ?
O11 C60 1.244(9) . ?
O23 C74 1.252(10) . ?
O7 C1 1.421(9) . ?
O20 C32 1.291(9) . ?
O25 C53 1.258(8) . ?
O5 C24 1.403(9) . ?
O17 C39 1.269(9) . ?
O12 C60 1.272(9) . ?
O19 C32 1.245(9) . ?
O18 C39 1.254(9) . ?
O21 C46 1.287(8) . ?
O22 C46 1.244(8) . ?
O13 C67 1.270(9) . ?
O6 C27 1.408(10) . ?
O14 C67 1.246(9) . ?
O16 C9 1.284(9) . ?
O15 C9 1.259(9) . ?
N2 C2 1.507(10) . ?
N2 C5 1.553(9) . ?
N2 C4 1.503(9) . ?
N3 C16 1.529(10) . ?
N3 C18 1.488(9) . ?
N3 C20 1.532(10) . ?
O24 C74 1.257(11) . ?
C19 C18 1.490(10) . ?
C32 C33 1.517(10) . ?
C53 O26 1.263(8) 7_557 ?
C53 C54 1.508(9) . ?
C60 C61 1.519(11) . ?
C54 C55 1.401(10) . ?
C54 C59 1.384(11) . ?
C1 C2 1.529(11) . ?
N1 C26 1.496(10) . ?
N1 C25 1.493(11) . ?
N1 C28 1.542(11) . ?
C33 C36 1.392(12) . ?
C33 C34 1.389(12) . ?
C39 C40 1.514(10) . ?
C5 C6 1.531(11) . ?
C5 C8 1.546(12) . ?
C5 C7 1.545(11) . ?
C4 C3 1.529(10) . ?
C47 C52 1.380(11) . ?
C47 C46 1.511(10) . ?
C47 C48 1.391(10) . ?
C16 C17 1.478(10) . ?
C45 C40 1.400(11) . ?
C45 C44 1.389(11) . ?
C52 C51 1.404(12) . ?
C9 C10 1.492(10) . ?
C24 C25 1.535(10) . ?
C55 C56 1.394(11) . ?
C36 C37 1.402(12) . ?
C10 C15 1.383(12) . ?
C10 C11 1.385(12) . ?
C67 C68 1.501(11) . ?
C40 C41 1.369(11) . ?
C41 C42 1.370(11) . ?
C59 C58 1.387(11) . ?
C61 C62 1.366(12) . ?
C61 C65 1.358(13) . ?
C74 C75 1.500(12) . ?
C21 C20 1.546(12) . ?
C48 C49 1.396(12) . ?
C15 C14 1.409(12) . ?
C49 C50 1.369(14) . ?
C11 C12 1.385(12) . ?
C50 C51 1.374(13) . ?
C75 C80 1.392(13) . ?
C75 C76 1.404(14) . ?
C27 C26 1.514(11) . ?
C68 C69 1.366(13) . ?
C68 C70 1.376(13) . ?
C20 C23 1.525(12) . ?
C20 C22 1.545(11) . ?
C30 C28 1.548(13) . ?
C34 C35 1.382(13) . ?
C62 C63 1.397(14) . ?
C56 C57 1.391(13) . ?
C69 C73 1.398(14) . ?
C28 C31 1.540(14) . ?
C28 C29 1.550(14) . ?
C44 C43 1.381(14) . ?
C42 C43 1.374(14) . ?
C38 C37 1.373(16) . ?
C38 C35 1.353(17) . ?
C80 C79 1.409(14) . ?
C57 C58 1.365(12) . ?
C65 C66 1.393(13) . ?
C12 C13 1.379(15) . ?
C14 C13 1.385(15) . ?
C64 C63 1.352(17) . ?
C64 C66 1.354(15) . ?
C70 C71 1.400(15) . ?
C79 C78 1.382(17) . ?
C77 C76 1.398(16) . ?
C77 C78 1.347(18) . ?
C73 C72 1.362(18) . ?
C71 C72 1.360(19) . ?

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
Cr1 Dy1 Dy3 112.61(2) . . ?
Cr1 Dy1 Cr3 138.24(3) . . ?
Cr3 Dy1 Dy3 54.18(2) . . ?
O2 Dy1 Dy3 35.03(11) . . ?
O2 Dy1 Cr1 147.56(11) . . ?
O2 Dy1 Cr3 34.80(11) . . ?
O2 Dy1 O3 120.59(15) . . ?
O10 Dy1 Dy3 75.14(12) . . ?
O10 Dy1 Cr1 109.59(12) . . ?
O10 Dy1 Cr3 33.13(11) . . ?
O10 Dy1 O2 67.26(16) . . ?
O10 Dy1 O3 77.27(18) . . ?
O10 Dy1 O1 96.81(17) . . ?
O10 Dy1 O11 83.48(18) . . ?
O10 Dy1 O25 142.06(17) . . ?
O10 Dy1 O5 143.05(17) . . ?
O10 Dy1 O22 75.37(17) . . ?
O3 Dy1 Dy3 91.62(11) . . ?
O3 Dy1 Cr1 35.13(12) . . ?
O3 Dy1 Cr3 103.16(12) . . ?
O1 Dy1 Dy3 34.88(11) . . ?
O1 Dy1 Cr1 79.81(10) . . ?
O1 Dy1 Cr3 86.61(12) . . ?
O1 Dy1 O2 68.93(15) . . ?
O1 Dy1 O3 69.94(16) . . ?
O1 Dy1 O22 140.41(16) . . ?
O11 Dy1 Dy3 156.79(14) . . ?
O11 Dy1 Cr1 66.12(14) . . ?
O11 Dy1 Cr3 110.01(14) . . ?
O11 Dy1 O2 140.54(18) . . ?
O11 Dy1 O3 74.71(18) . . ?
O11 Dy1 O1 143.59(17) . . ?
O11 Dy1 O25 104.16(18) . . ?
O11 Dy1 O5 75.91(19) . . ?
O11 Dy1 O22 75.08(18) . . ?
O25 Dy1 Dy3 98.30(11) . . ?
O25 Dy1 Cr1 107.37(12) . . ?
O25 Dy1 Cr3 113.52(11) . . ?
O25 Dy1 O2 85.83(16) . . ?
O25 Dy1 O3 140.66(17) . . ?
O25 Dy1 O1 97.75(17) . . ?
O25 Dy1 O22 71.11(17) . . ?
O5 Dy1 Dy3 116.73(12) . . ?
O5 Dy1 Cr1 33.76(12) . . ?
O5 Dy1 Cr3 168.17(12) . . ?
O5 Dy1 O2 142.58(17) . . ?
O5 Dy1 O3 67.94(17) . . ?
O5 Dy1 O1 82.98(17) . . ?
O5 Dy1 O25 73.64(16) . . ?
O5 Dy1 O22 126.33(16) . . ?
O22 Dy1 Dy3 107.39(12) . . ?
O22 Dy1 Cr1 139.64(12) . . ?
O22 Dy1 Cr3 65.50(11) . . ?
O22 Dy1 O2 72.38(16) . . ?
O22 Dy1 O3 141.03(18) . . ?
Cr2 Dy3 Dy1 109.59(2) . . ?
Cr3 Dy3 Dy1 53.86(2) . . ?
Cr3 Dy3 Cr2 141.45(3) . . ?
O2 Dy3 Dy1 35.06(11) . . ?
O2 Dy3 Cr2 144.59(11) . . ?
O2 Dy3 Cr3 34.56(11) . . ?
O2 Dy3 O4 122.18(16) . . ?
O26 Dy3 Dy1 94.92(12) . . ?
O26 Dy3 Cr2 106.18(13) . . ?
O26 Dy3 Cr3 109.58(12) . . ?
O26 Dy3 O2 81.70(16) . . ?
O26 Dy3 O4 139.27(17) . . ?
O26 Dy3 O1 96.34(17) . . ?
O26 Dy3 O19 72.37(18) . . ?
O26 Dy3 O18 104.99(17) . . ?
O4 Dy3 Dy1 91.72(11) . . ?
O4 Dy3 Cr2 34.90(12) . . ?
O4 Dy3 Cr3 106.70(12) . . ?
O1 Dy3 Dy1 34.68(11) . . ?
O1 Dy3 Cr2 76.00(11) . . ?
O1 Dy3 Cr3 86.13(12) . . ?
O1 Dy3 O2 68.77(16) . . ?
O1 Dy3 O4 68.13(15) . . ?
O8 Dy3 Dy1 112.49(11) . . ?
O8 Dy3 Cr2 32.89(11) . . ?
O8 Dy3 Cr3 165.77(11) . . ?
O8 Dy3 O2 136.96(16) . . ?
O8 Dy3 O26 73.29(16) . . ?
O8 Dy3 O4 67.08(16) . . ?
O8 Dy3 O1 79.68(16) . . ?
O8 Dy3 O19 126.52(17) . . ?
O8 Dy3 O18 74.64(17) . . ?
O9 Dy3 Dy1 74.36(11) . . ?
O9 Dy3 Cr2 114.08(12) . . ?
O9 Dy3 Cr3 33.41(12) . . ?
O9 Dy3 O2 67.17(16) . . ?
O9 Dy3 O26 139.66(17) . . ?
O9 Dy3 O4 80.70(16) . . ?
O9 Dy3 O1 95.57(17) . . ?
O9 Dy3 O8 146.93(16) . . ?
O9 Dy3 O19 75.23(18) . . ?
O9 Dy3 O18 89.75(17) . . ?
O19 Dy3 Dy1 110.16(13) . . ?
O19 Dy3 Cr2 140.19(13) . . ?
O19 Dy3 Cr3 66.63(13) . . ?
O19 Dy3 O2 75.22(17) . . ?
O19 Dy3 O4 141.13(17) . . ?
O19 Dy3 O1 143.52(17) . . ?
O18 Dy3 Dy1 160.09(13) . . ?
O18 Dy3 Cr2 65.63(12) . . ?
O18 Dy3 Cr3 116.78(13) . . ?
O18 Dy3 O2 146.96(17) . . ?
O18 Dy3 O4 73.60(16) . . ?
O18 Dy3 O1 139.86(16) . . ?
O18 Dy3 O19 76.20(17) . . ?
Cr1 Dy2 Cr2 143.79(3) . . ?
O4 Dy2 Cr1 145.75(11) . . ?
O4 Dy2 Cr2 34.84(12) . . ?
O4 Dy2 O1 68.33(15) . . ?
O4 Dy2 O7 67.75(16) . . ?
O4 Dy2 O14 142.82(17) . . ?
O3 Dy2 Cr1 35.13(12) . . ?
O3 Dy2 Cr2 143.60(12) . . ?
O3 Dy2 O4 118.70(16) . . ?
O3 Dy2 O1 69.32(16) . . ?
O3 Dy2 O7 138.71(18) . . ?
O3 Dy2 O14 78.43(18) . . ?
O1 Dy2 Cr1 78.90(11) . . ?
O1 Dy2 Cr2 75.48(11) . . ?
O23 Dy2 Cr1 107.14(14) . . ?
O23 Dy2 Cr2 105.32(13) . . ?
O23 Dy2 O4 76.09(17) . . ?
O23 Dy2 O3 78.76(19) . . ?
O23 Dy2 O1 109.57(18) . . ?
O23 Dy2 O7 137.30(18) . . ?
O23 Dy2 O6 138.66(19) . . ?
O23 Dy2 O14 75.6(2) . . ?
O23 Dy2 O15 77.7(2) . . ?
O7 Dy2 Cr1 115.51(12) . . ?
O7 Dy2 Cr2 33.83(11) . . ?
O7 Dy2 O1 77.74(16) . . ?
O7 Dy2 O14 122.76(19) . . ?
O6 Dy2 Cr1 34.75(14) . . ?
O6 Dy2 Cr2 116.00(14) . . ?
O6 Dy2 O4 142.38(18) . . ?
O6 Dy2 O3 69.04(18) . . ?
O6 Dy2 O1 82.98(17) . . ?
O6 Dy2 O7 83.16(18) . . ?
O6 Dy2 O14 73.13(19) . . ?
O6 Dy2 O15 117.46(19) . . ?
O14 Dy2 Cr1 66.92(13) . . ?
O14 Dy2 Cr2 137.94(14) . . ?
O14 Dy2 O1 145.11(17) . . ?
O15 Dy2 Cr1 137.09(13) . . ?
O15 Dy2 Cr2 65.86(13) . . ?
O15 Dy2 O4 77.16(17) . . ?
O15 Dy2 O3 147.08(19) . . ?
O15 Dy2 O1 141.07(17) . . ?
O15 Dy2 O7 72.84(18) . . ?
O15 Dy2 O14 73.63(18) . . ?
Dy2 Cr1 Dy1 72.95(2) . . ?
O3 Cr1 Dy1 45.80(15) . . ?
O3 Cr1 Dy2 44.46(15) . . ?
O3 Cr1 O12 92.7(2) . . ?
O3 Cr1 O13 92.6(2) . . ?
O3 Cr1 N1 164.2(3) . . ?
O5 Cr1 Dy1 42.91(15) . . ?
O5 Cr1 Dy2 96.42(15) . . ?
O5 Cr1 O3 87.4(2) . . ?
O5 Cr1 O12 91.1(2) . . ?
O5 Cr1 O13 178.4(2) . . ?
O5 Cr1 O6 90.5(2) . . ?
O5 Cr1 N1 82.9(2) . . ?
O12 Cr1 Dy1 83.96(16) . . ?
O12 Cr1 Dy2 135.70(17) . . ?
O12 Cr1 O13 87.3(2) . . ?
O12 Cr1 N1 99.9(3) . . ?
O13 Cr1 Dy1 136.65(18) . . ?
O13 Cr1 Dy2 84.62(16) . . ?
O13 Cr1 N1 97.5(3) . . ?
O6 Cr1 Dy1 96.37(15) . . ?
O6 Cr1 Dy2 42.76(15) . . ?
O6 Cr1 O3 86.1(2) . . ?
O6 Cr1 O12 177.9(2) . . ?
O6 Cr1 O13 91.0(2) . . ?
O6 Cr1 N1 81.6(2) . . ?
N1 Cr1 Dy1 125.86(19) . . ?
N1 Cr1 Dy2 124.3(2) . . ?
Dy2 Cr2 Dy3 72.78(2) . . ?
O4 Cr2 Dy3 45.98(14) . . ?
O4 Cr2 Dy2 43.70(14) . . ?
O4 Cr2 O17 91.2(2) . . ?
O4 Cr2 O16 96.3(2) . . ?
O4 Cr2 N2 163.9(2) . . ?
O8 Cr2 Dy3 41.81(15) . . ?
O8 Cr2 Dy2 97.35(15) . . ?
O8 Cr2 O4 86.8(2) . . ?
O8 Cr2 O7 91.8(2) . . ?
O8 Cr2 O17 91.6(2) . . ?
O8 Cr2 O16 177.0(2) . . ?
O8 Cr2 N2 82.0(2) . . ?
O7 Cr2 Dy3 96.17(15) . . ?
O7 Cr2 Dy2 43.70(16) . . ?
O7 Cr2 O4 86.1(2) . . ?
O7 Cr2 O17 175.5(2) . . ?
O7 Cr2 O16 88.6(2) . . ?
O7 Cr2 N2 82.8(2) . . ?
O17 Cr2 Dy3 84.54(15) . . ?
O17 Cr2 Dy2 132.90(16) . . ?
O17 Cr2 O16 88.1(2) . . ?
O17 Cr2 N2 100.5(2) . . ?
O16 Cr2 Dy3 141.11(17) . . ?
O16 Cr2 Dy2 85.02(15) . . ?
O16 Cr2 N2 95.1(2) . . ?
N2 Cr2 Dy3 123.77(17) . . ?
N2 Cr2 Dy2 126.50(18) . . ?
Dy1 Cr3 Dy3 71.96(2) . . ?
O2 Cr3 Dy1 45.08(13) . . ?
O2 Cr3 Dy3 44.70(13) . . ?
O2 Cr3 O20 92.9(2) . . ?
O2 Cr3 O21 94.1(2) . . ?
O2 Cr3 N3 162.6(2) . . ?
O10 Cr3 Dy1 40.70(15) . . ?
O10 Cr3 Dy3 95.28(16) . . ?
O10 Cr3 O2 84.9(2) . . ?
O10 Cr3 O9 91.5(2) . . ?
O10 Cr3 O20 176.9(2) . . ?
O10 Cr3 O21 90.4(2) . . ?
O10 Cr3 N3 82.6(2) . . ?
O9 Cr3 Dy1 94.53(15) . . ?
O9 Cr3 Dy3 41.05(14) . . ?
O9 Cr3 O2 84.7(2) . . ?
O9 Cr3 O20 90.4(2) . . ?
O9 Cr3 O21 177.6(2) . . ?
O9 Cr3 N3 83.7(2) . . ?
O20 Cr3 Dy1 136.67(16) . . ?
O20 Cr3 Dy3 84.58(16) . . ?
O20 Cr3 O21 87.6(2) . . ?
O20 Cr3 N3 100.0(2) . . ?
O21 Cr3 Dy1 86.01(14) . . ?
O21 Cr3 Dy3 137.31(15) . . ?
O21 Cr3 N3 97.9(2) . . ?
N3 Cr3 Dy1 123.28(17) . . ?
N3 Cr3 Dy3 124.75(17) . . ?
Dy3 O2 Dy1 109.90(18) . . ?
Cr3 O2 Dy1 100.12(19) . . ?
Cr3 O2 Dy3 100.74(19) . . ?
Cr3 O10 Dy1 106.2(2) . . ?
C17 O10 Dy1 134.4(4) . . ?
C17 O10 Cr3 114.1(4) . . ?
C53 O26 Dy3 139.8(5) 7_557 . ?
Dy2 O4 Dy3 111.74(18) . . ?
Cr2 O4 Dy3 99.12(19) . . ?
Cr2 O4 Dy2 101.5(2) . . ?
Dy2 O3 Dy1 111.5(2) . . ?
Cr1 O3 Dy1 99.1(2) . . ?
Cr1 O3 Dy2 100.4(2) . . ?
Dy1 O1 Dy3 110.44(18) . . ?
Dy1 O1 Dy2 108.97(17) . . ?
Dy3 O1 Dy2 110.42(18) . . ?
Cr2 O8 Dy3 105.3(2) . . ?
C3 O8 Dy3 129.8(4) . . ?
C3 O8 Cr2 111.9(4) . . ?
Cr3 O9 Dy3 105.5(2) . . ?
C19 O9 Dy3 138.8(4) . . ?
C19 O9 Cr3 115.7(4) . . ?
C60 O11 Dy1 137.5(5) . . ?
C74 O23 Dy2 127.0(6) . . ?
Cr2 O7 Dy2 102.5(2) . . ?
C1 O7 Dy2 138.6(5) . . ?
C1 O7 Cr2 115.9(5) . . ?
C32 O20 Cr3 127.1(5) . . ?
C53 O25 Dy1 138.5(5) . . ?
Cr1 O5 Dy1 103.3(2) . . ?
C24 O5 Dy1 132.0(4) . . ?
C24 O5 Cr1 111.7(5) . . ?
C39 O17 Cr2 126.2(5) . . ?
C60 O12 Cr1 127.4(5) . . ?
C32 O19 Dy3 135.7(5) . . ?
C39 O18 Dy3 135.4(5) . . ?
C46 O21 Cr3 124.6(5) . . ?
C46 O22 Dy1 135.3(5) . . ?
C67 O13 Cr1 127.9(5) . . ?
Cr1 O6 Dy2 102.5(2) . . ?
C27 O6 Dy2 138.4(5) . . ?
C27 O6 Cr1 115.9(5) . . ?
C67 O14 Dy2 133.5(5) . . ?
C9 O16 Cr2 125.5(5) . . ?
C9 O15 Dy2 136.2(5) . . ?
C2 N2 Cr2 99.2(5) . . ?
C2 N2 C5 111.1(6) . . ?
C5 N2 Cr2 121.4(5) . . ?
C4 N2 Cr2 106.2(5) . . ?
C4 N2 C2 109.7(6) . . ?
C4 N2 C5 108.7(6) . . ?
C16 N3 Cr3 103.3(4) . . ?
C16 N3 C20 111.5(7) . . ?
C18 N3 Cr3 98.9(5) . . ?
C18 N3 C16 108.9(6) . . ?
C18 N3 C20 111.5(6) . . ?
C20 N3 Cr3 121.6(5) . . ?
O9 C19 C18 110.3(6) . . ?
O20 C32 C33 115.7(8) . . ?
O19 C32 O20 125.9(7) . . ?
O19 C32 C33 118.4(8) . . ?
O26 C53 C54 118.5(6) 7_557 . ?
O25 C53 O26 122.9(6) . 7_557 ?
O25 C53 C54 118.7(7) . . ?
O11 C60 O12 124.7(7) . . ?
O11 C60 C61 117.7(8) . . ?
O12 C60 C61 117.5(8) . . ?
C55 C54 C53 119.9(7) . . ?
C59 C54 C53 121.7(7) . . ?
C59 C54 C55 118.3(7) . . ?
O7 C1 C2 111.1(7) . . ?
C26 N1 Cr1 99.4(5) . . ?
C26 N1 C28 110.7(6) . . ?
C25 N1 Cr1 104.4(5) . . ?
C25 N1 C26 111.1(8) . . ?
C25 N1 C28 109.9(7) . . ?
C28 N1 Cr1 120.7(6) . . ?
C36 C33 C32 118.0(8) . . ?
C34 C33 C32 120.8(9) . . ?
C34 C33 C36 121.2(8) . . ?
O17 C39 C40 115.3(7) . . ?
O18 C39 O17 127.1(7) . . ?
O18 C39 C40 117.6(7) . . ?
N2 C2 C1 110.7(7) . . ?
C6 C5 N2 109.9(7) . . ?
C6 C5 C8 107.4(8) . . ?
C6 C5 C7 109.0(7) . . ?
C8 C5 N2 109.7(7) . . ?
C7 C5 N2 111.8(7) . . ?
C7 C5 C8 108.9(8) . . ?
N2 C4 C3 112.2(7) . . ?
C52 C47 C46 122.5(7) . . ?
C52 C47 C48 119.2(8) . . ?
C48 C47 C46 118.3(7) . . ?
C17 C16 N3 111.8(7) . . ?
C44 C45 C40 120.1(9) . . ?
C47 C52 C51 120.5(9) . . ?
O16 C9 C10 117.7(7) . . ?
O15 C9 O16 125.7(7) . . ?
O15 C9 C10 116.6(8) . . ?
O10 C17 C16 108.2(6) . . ?
O5 C24 C25 108.6(7) . . ?
C56 C55 C54 120.2(8) . . ?
C33 C36 C37 118.2(10) . . ?
O21 C46 C47 116.2(7) . . ?
O22 C46 O21 125.9(7) . . ?
O22 C46 C47 117.9(7) . . ?
O8 C3 C4 109.7(6) . . ?
C15 C10 C9 120.4(8) . . ?
C15 C10 C11 119.9(8) . . ?
C11 C10 C9 119.6(8) . . ?
O13 C67 C68 115.9(8) . . ?
O14 C67 O13 126.4(8) . . ?
O14 C67 C68 117.8(8) . . ?
C45 C40 C39 118.7(7) . . ?
C41 C40 C39 122.6(7) . . ?
C41 C40 C45 118.6(7) . . ?
C40 C41 C42 121.9(9) . . ?
N3 C18 C19 113.5(6) . . ?
C54 C59 C58 121.6(8) . . ?
C62 C61 C60 119.9(9) . . ?
C65 C61 C60 119.5(8) . . ?
C65 C61 C62 120.5(9) . . ?
O23 C74 O24 124.2(8) . . ?
O23 C74 C75 119.8(9) . . ?
O24 C74 C75 115.9(9) . . ?
C47 C48 C49 119.5(9) . . ?
C10 C15 C14 120.0(10) . . ?
C50 C49 C48 121.2(10) . . ?
C10 C11 C12 120.6(10) . . ?
C49 C50 C51 119.6(9) . . ?
C80 C75 C74 119.8(9) . . ?
C80 C75 C76 117.6(10) . . ?
C76 C75 C74 122.5(10) . . ?
O6 C27 C26 110.9(8) . . ?
N1 C26 C27 110.0(7) . . ?
C69 C68 C67 119.9(9) . . ?
C69 C68 C70 119.9(9) . . ?
C70 C68 C67 120.2(9) . . ?
N3 C20 C21 111.0(7) . . ?
N3 C20 C22 112.2(7) . . ?
C23 C20 N3 110.3(7) . . ?
C23 C20 C21 107.5(8) . . ?
C23 C20 C22 109.8(8) . . ?
C22 C20 C21 105.9(8) . . ?
N1 C25 C24 114.0(7) . . ?
C35 C34 C33 118.6(11) . . ?
C61 C62 C63 117.5(12) . . ?
C50 C51 C52 120.0(10) . . ?
C57 C56 C55 119.6(8) . . ?
C68 C69 C73 119.3(11) . . ?
N1 C28 C30 110.7(7) . . ?
N1 C28 C29 111.1(9) . . ?
C30 C28 C29 108.9(9) . . ?
C31 C28 N1 110.0(8) . . ?
C31 C28 C30 106.8(10) . . ?
C31 C28 C29 109.3(9) . . ?
C43 C44 C45 119.3(10) . . ?
C41 C42 C43 119.3(10) . . ?
C35 C38 C37 121.2(11) . . ?
C75 C80 C79 119.8(11) . . ?
C58 C57 C56 120.6(9) . . ?
C57 C58 C59 119.6(9) . . ?
C61 C65 C66 120.4(11) . . ?
C42 C43 C44 120.8(9) . . ?
C38 C37 C36 119.8(12) . . ?
C38 C35 C34 121.0(13) . . ?
C13 C12 C11 119.3(11) . . ?
C13 C14 C15 118.7(11) . . ?
C12 C13 C14 121.4(11) . . ?
C63 C64 C66 118.8(11) . . ?
C64 C63 C62 122.6(12) . . ?
C64 C66 C65 120.0(12) . . ?
C68 C70 C71 120.4(12) . . ?
C78 C79 C80 119.9(12) . . ?
C78 C77 C76 118.4(14) . . ?
C77 C76 C75 122.2(13) . . ?
C77 C78 C79 121.8(13) . . ?
C72 C73 C69 120.5(13) . . ?
C72 C71 C70 119.1(14) . . ?
C71 C72 C73 120.7(14) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_Co6Dy6
_database_code_depnum_ccdc_archive 'CCDC 1833047'
_audit_update_record             
;
2018-03-28 deposited with the CCDC.
2018-05-01 downloaded from the CCDC.
;
_audit_creation_date             2017-12-15
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C176 H222 Co6 Dy6 N6 O52, 2(H2 O), 2(C2 H3 N)'
_chemical_formula_sum            'C180 H232 Co6 Dy6 N8 O54'
_chemical_formula_weight         4700.30
_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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   16.305(4)
_cell_length_b                   17.284(3)
_cell_length_c                   18.521(4)
_cell_angle_alpha                75.951(7)
_cell_angle_beta                 79.292(7)
_cell_angle_gamma                74.923(6)
_cell_volume                     4847.2(17)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    10699
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.6726
_cell_measurement_theta_min      2.1921
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.859
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.3090
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_process_details   
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.610
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       Prism
_exptl_crystal_F_000             2358
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0763
_diffrn_reflns_av_unetI/netI     0.0917
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            40972
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        25.024
_diffrn_reflns_theta_max         25.024
_diffrn_reflns_theta_min         2.480
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  
;
Saturn724+ (2x2 bin mode)
;
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                14320
_reflns_number_total             16893
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.442
_refine_diff_density_min         -1.447
_refine_diff_density_rms         0.135
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.121
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1175
_refine_ls_number_reflns         16893
_refine_ls_number_restraints     1556
_refine_ls_R_factor_all          0.0767
_refine_ls_R_factor_gt           0.0641
_refine_ls_restrained_S_all      1.122
_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)+(0.0471P)²+8.1288P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1424
_refine_ls_wR_factor_ref         0.1519
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Restrained distances
 H27B-O24
 1.95 with sigma of 0.02
 C89-C90
 1.46 with sigma of 0.02
 O2-H2
 0.85 with sigma of 0.01
 O1-H1
 0.85 with sigma of 0.01
 O3-H3
 0.85 with sigma of 0.01
 O4-H4
 0.85 with sigma of 0.01
 O7-H1
 2.9 with sigma of 0.02
 O25-H2
 2.6 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C65 \\sim C33 \\sim C73 \\sim C4 \\sim C79 \\sim C17 \\sim C12 \\sim C20 \\sim
C34 \\sim C11 \\sim C74 \\sim C35 \\sim C49 \\sim C25 \\sim C26 \\sim C31 \\sim
C66 \\sim C41 \\sim C36 \\sim C40 \\sim C71 \\sim C78 \\sim C70 \\sim C18 \\sim
C1 \\sim C3 \\sim C2 \\sim C69 \\sim C58 \\sim C75 \\sim C19 \\sim C80 \\sim
C67 \\sim C9 \\sim C37 \\sim C5 \\sim C10 \\sim C43 \\sim C68 \\sim C27 \\sim
C62 \\sim C76 \\sim C13 \\sim C50 \\sim C47 \\sim C21 \\sim C63 \\sim C81 \\sim
C30 \\sim C42 \\sim C77 \\sim C55 \\sim C32 \\sim C44 \\sim C61 \\sim C51 \\sim
C6 \\sim C72 \\sim C83 \\sim C38 \\sim C87 \\sim C39 \\sim C82 \\sim C64 \\sim
C54 \\sim C46 \\sim C15 \\sim C88 \\sim C29 \\sim C52 \\sim C59 \\sim C28 \\sim
C86 \\sim C60 \\sim C22 \\sim C48 \\sim C84 \\sim C45 \\sim C8 \\sim C53 \\sim
C7 \\sim C85 \\sim C57 \\sim C14 \\sim C23 \\sim C24 \\sim C16 \\sim C56 \\sim
C90 \\sim C89: within 3.8A with sigma of 0.01 and sigma for terminal atoms of
0.02
4.a Free rotating group:
 O27(H27A,H27B)
4.b Secondary CH2 refined with riding coordinates:
 C4(H4A,H4B), C17(H17A,H17B), C12(H12A,H12B), C20(H20A,H20B), C11(H11A,H11B),
 C18(H18A,H18B), C1(H1A,H1B), C3(H3A,H3B), C2(H2A,H2B), C19(H19A,H19B), C9(H9A,
 H9B), C5(H5A,H5B), C10(H10A,H10B), C13(H13A,H13B), C21(H21A,H21B), C6(H6A,H6B),
  C15(H15A,H15B), C22(H22A,H22B), C7(H7A,H7B), C14(H14A,H14B), C23(H23A,H23B)
4.c Aromatic/amide H refined with riding coordinates:
 C79(H79), C35(H35), C31(H31), C40(H40), C71(H71), C70(H70), C69(H69),
 C75(H75), C67(H67), C43(H43), C27(H27), C62(H62), C76(H76), C47(H47), C63(H63),
  C77(H77), C55(H55), C44(H44), C61(H61), C51(H51), C83(H83), C38(H38),
 C87(H87), C39(H39), C54(H54), C29(H29), C59(H59), C28(H28), C86(H86), C45(H45),
  C53(H53), C85(H85)
4.d Idealised Me refined as rotating group:
 C80(H80A,H80B,H80C), C37(H37A,H37B,H37C), C32(H32A,H32B,H32C), C72(H72A,H72B,
 H72C), C64(H64A,H64B,H64C), C88(H88A,H88B,H88C), C48(H48A,H48B,H48C), C8(H8A,
 H8B,H8C), C24(H24A,H24B,H24C), C16(H16A,H16B,H16C), C56(H56A,H56B,H56C),
 C90(H90A,H90B,H90C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy3 Dy 0.32574(2) 0.49062(2) 0.16921(2) 0.03369(12) Uani 1 1 d . . . . .
Dy1 Dy 0.53399(2) 0.31672(2) 0.16248(2) 0.03441(12) Uani 1 1 d . . . . .
Dy2 Dy 0.43218(3) 0.38921(2) 0.35354(2) 0.03904(12) Uani 1 1 d . . . . .
Co1 Co 0.34504(7) 0.31200(6) 0.12440(6) 0.0370(3) Uani 1 1 d . . . . .
Co2 Co 0.29843(7) 0.56700(7) 0.32177(6) 0.0402(3) Uani 1 1 d . . . . .
Co3 Co 0.63287(7) 0.28996(7) 0.31219(6) 0.0393(3) Uani 1 1 d . . . . .
O23 O 0.3722(4) 0.5880(3) 0.0662(3) 0.0412(13) Uani 1 1 d . . . . .
O24 O 0.3854(4) 0.6155(3) -0.0583(3) 0.0389(13) Uani 1 1 d D . . . .
O3 O 0.4137(3) 0.3920(3) 0.0991(3) 0.0325(12) Uani 1 1 d D . . . .
O10 O 0.4229(3) 0.2527(3) 0.1932(3) 0.0386(13) Uani 1 1 d . . . . .
O20 O 0.4078(4) 0.2498(3) 0.0501(3) 0.0451(14) Uani 1 1 d . . . . .
O5 O 0.3366(4) 0.5978(3) 0.2196(3) 0.0432(14) Uani 1 1 d . . . . .
O21 O 0.2693(3) 0.3695(3) 0.0516(3) 0.0424(14) Uani 1 1 d . . . . .
O19 O 0.5427(4) 0.2545(3) 0.0583(3) 0.0482(15) Uani 1 1 d . . . . .
O9 O 0.2790(3) 0.3712(3) 0.1960(3) 0.0386(13) Uani 1 1 d . . . . .
O8 O 0.6467(3) 0.3382(3) 0.2101(3) 0.0402(13) Uani 1 1 d . . . . .
O22 O 0.2519(4) 0.4987(3) 0.0678(3) 0.0467(15) Uani 1 1 d . . . . .
O4 O 0.3049(4) 0.4616(3) 0.3032(3) 0.0358(13) Uani 1 1 d D . . . .
O1 O 0.4601(3) 0.4316(3) 0.2151(3) 0.0354(12) Uani 1 1 d D . . . .
O13 O 0.2490(4) 0.5416(4) 0.4238(3) 0.0495(15) Uani 1 1 d . . . . .
O6 O 0.4132(4) 0.5285(3) 0.3444(3) 0.0456(14) Uani 1 1 d . . . . .
O2 O 0.5221(3) 0.2805(3) 0.2990(3) 0.0365(12) Uani 1 1 d D . . . .
O16 O 0.6227(4) 0.2307(3) 0.4163(3) 0.0487(15) Uani 1 1 d . . . . .
O18 O 0.6206(4) 0.1852(3) 0.1949(3) 0.0503(15) Uani 1 1 d . . . . .
O27 O 0.4461(4) 0.4467(4) -0.0565(4) 0.0575(17) Uani 1 1 d . . . . .
H27A H 0.4998 0.4351 -0.0553 0.086 Uiso 1 1 d G . . . .
H27B H 0.4298 0.4965 -0.0528 0.086 Uiso 1 1 d DG . . . .
O14 O 0.3408(4) 0.4217(4) 0.4642(3) 0.0628(18) Uani 1 1 d . . . . .
O17 O 0.6918(4) 0.1853(3) 0.2884(3) 0.0512(15) Uani 1 1 d . . . . .
O11 O 0.1829(4) 0.5566(3) 0.2011(3) 0.0476(15) Uani 1 1 d . . . . .
O12 O 0.1815(4) 0.6077(3) 0.3028(3) 0.0466(15) Uani 1 1 d . . . . .
O7 O 0.5779(4) 0.3930(3) 0.3345(3) 0.0447(14) Uani 1 1 d D . . . .
C65 C 0.2776(7) 0.4783(6) 0.4722(6) 0.0591(19) Uani 1 1 d . U . . .
O15 O 0.4960(5) 0.3036(4) 0.4571(4) 0.073(2) Uani 1 1 d . . . . .
O26 O 0.2144(5) 0.3463(5) 0.3904(4) 0.074(2) Uani 1 1 d . . . . .
C33 C 0.4900(6) 0.2302(5) 0.0358(5) 0.0503(17) Uani 1 1 d . U . . .
C73 C 0.3467(6) 0.6288(5) 0.0048(5) 0.0440(17) Uani 1 1 d . U . . .
O25 O 0.3565(4) 0.2892(4) 0.3839(4) 0.0553(16) Uani 1 1 d D . . . .
C4 C 0.3998(6) 0.1816(6) 0.2367(6) 0.060(2) Uani 1 1 d . U . . .
H4A H 0.3721 0.1916 0.2857 0.072 Uiso 1 1 calc R . . . .
H4B H 0.4509 0.1383 0.2438 0.072 Uiso 1 1 calc R . . . .
N2 N 0.3098(5) 0.6746(4) 0.3332(4) 0.052(2) Uani 1 1 d . . . . .
N1 N 0.2765(5) 0.2283(4) 0.1680(4) 0.0497(19) Uani 1 1 d . . . . .
C79 C 0.2321(6) 0.7245(5) 0.0732(5) 0.0507(16) Uani 1 1 d . U . . .
H79 H 0.2545 0.6970 0.1175 0.061 Uiso 1 1 calc R . . . .
C17 C 0.4421(7) 0.5821(6) 0.3746(6) 0.0657(19) Uani 1 1 d . U . . .
H17A H 0.4882 0.6016 0.3398 0.079 Uiso 1 1 calc R . . . .
H17B H 0.4645 0.5530 0.4211 0.079 Uiso 1 1 calc R . . . .
C12 C 0.6941(6) 0.3984(6) 0.1981(6) 0.061(2) Uani 1 1 d . U . . .
H12A H 0.6583 0.4472 0.2141 0.073 Uiso 1 1 calc R . . . .
H12B H 0.7149 0.4130 0.1452 0.073 Uiso 1 1 calc R . . . .
C20 C 0.3880(7) 0.6534(6) 0.2095(6) 0.0608(19) Uani 1 1 d . U . . .
H20A H 0.3947 0.6813 0.1573 0.073 Uiso 1 1 calc R . . . .
H20B H 0.4443 0.6252 0.2234 0.073 Uiso 1 1 calc R . . . .
C34 C 0.5218(6) 0.1717(5) -0.0185(5) 0.0516(18) Uani 1 1 d . U . . .
C11 C 0.7690(6) 0.3637(7) 0.2433(6) 0.067(2) Uani 1 1 d . U . . .
H11A H 0.8134 0.3270 0.2172 0.080 Uiso 1 1 calc R . . . .
H11B H 0.7927 0.4080 0.2479 0.080 Uiso 1 1 calc R . . . .
C74 C 0.2686(6) 0.6973(5) 0.0071(5) 0.0460(17) Uani 1 1 d . U . . .
C35 C 0.4687(7) 0.1336(5) -0.0389(5) 0.0584(18) Uani 1 1 d . U . . .
H35 H 0.4106 0.1463 -0.0214 0.070 Uiso 1 1 calc R . . . .
C49 C 0.5564(7) 0.2458(7) 0.4652(6) 0.067(2) Uani 1 1 d . U . . .
C25 C 0.2369(6) 0.4472(6) 0.0395(5) 0.0491(18) Uani 1 1 d . U . . .
C26 C 0.1703(6) 0.4788(6) -0.0153(5) 0.0516(17) Uani 1 1 d . U . . .
C31 C 0.1264(6) 0.5581(6) -0.0269(5) 0.0550(18) Uani 1 1 d . U . . .
H31 H 0.1387 0.5934 -0.0018 0.066 Uiso 1 1 calc R . . . .
C66 C 0.2238(7) 0.4740(6) 0.5488(6) 0.0600(19) Uani 1 1 d . U . . .
C41 C 0.6790(6) 0.1565(5) 0.2360(6) 0.0538(19) Uani 1 1 d . U . . .
C36 C 0.4978(7) 0.0765(6) -0.0848(6) 0.0576(19) Uani 1 1 d . U . . .
C40 C 0.6101(7) 0.1521(5) -0.0440(5) 0.0580(18) Uani 1 1 d . U . . .
H40 H 0.6473 0.1765 -0.0297 0.070 Uiso 1 1 calc R . . . .
C71 C 0.2580(7) 0.4265(6) 0.6114(6) 0.065(2) Uani 1 1 d . U . . .
H71 H 0.3138 0.3954 0.6067 0.077 Uiso 1 1 calc R . . . .
C78 C 0.1631(6) 0.7914(6) 0.0751(6) 0.0586(19) Uani 1 1 d . U . . .
C70 C 0.2103(8) 0.4240(7) 0.6822(6) 0.074(2) Uani 1 1 d . U . . .
H70 H 0.2335 0.3921 0.7250 0.089 Uiso 1 1 calc R . . . .
C18 C 0.3715(7) 0.6530(6) 0.3891(6) 0.068(2) Uani 1 1 d . U . . .
H18A H 0.3953 0.6998 0.3864 0.081 Uiso 1 1 calc R . . . .
H18B H 0.3416 0.6397 0.4393 0.081 Uiso 1 1 calc R . . . .
C1 C 0.2125(7) 0.2594(6) 0.2288(6) 0.066(2) Uani 1 1 d . U . . .
H1A H 0.2327 0.2344 0.2770 0.080 Uiso 1 1 calc R . . . .
H1B H 0.1587 0.2448 0.2295 0.080 Uiso 1 1 calc R . . . .
C3 C 0.3405(6) 0.1549(6) 0.2002(6) 0.0642(19) Uani 1 1 d . U . . .
H3A H 0.3728 0.1270 0.1607 0.077 Uiso 1 1 calc R . . . .
H3B H 0.3113 0.1171 0.2369 0.077 Uiso 1 1 calc R . . . .
N3 N 0.7413(5) 0.3184(5) 0.3197(4) 0.0518(19) Uani 1 1 d . . . . .
C2 C 0.1987(6) 0.3510(6) 0.2160(6) 0.0612(19) Uani 1 1 d . U . . .
H2A H 0.1633 0.3770 0.1761 0.073 Uiso 1 1 calc R . . . .
H2B H 0.1697 0.3699 0.2613 0.073 Uiso 1 1 calc R . . . .
C69 C 0.1276(8) 0.4706(7) 0.6869(7) 0.079(2) Uani 1 1 d . U . . .
H69 H 0.0961 0.4706 0.7342 0.095 Uiso 1 1 calc R . . . .
C58 C 0.2605(7) 0.2062(6) 0.4491(6) 0.066(2) Uani 1 1 d . U . . .
C75 C 0.2333(6) 0.7391(6) -0.0589(6) 0.0569(19) Uani 1 1 d . U . . .
H75 H 0.2574 0.7236 -0.1043 0.068 Uiso 1 1 calc R . . . .
C19 C 0.3442(7) 0.7151(6) 0.2594(6) 0.067(2) Uani 1 1 d . U . . .
H19A H 0.3851 0.7443 0.2651 0.081 Uiso 1 1 calc R . . . .
H19B H 0.2980 0.7547 0.2354 0.081 Uiso 1 1 calc R . . . .
C80 C 0.1285(7) 0.8219(6) 0.1464(6) 0.072(3) Uani 1 1 d . U . . .
H80A H 0.1706 0.8435 0.1602 0.108 Uiso 1 1 calc GR . . . .
H80B H 0.1152 0.7775 0.1857 0.108 Uiso 1 1 calc GR . . . .
H80C H 0.0775 0.8641 0.1390 0.108 Uiso 1 1 calc GR . . . .
C67 C 0.1396(7) 0.5193(6) 0.5551(6) 0.069(2) Uani 1 1 d . U . . .
H67 H 0.1167 0.5514 0.5123 0.082 Uiso 1 1 calc R . . . .
C9 C 0.6287(6) 0.4296(6) 0.3633(6) 0.0637(19) Uani 1 1 d . U . . .
H9A H 0.5989 0.4449 0.4100 0.076 Uiso 1 1 calc R . . . .
H9B H 0.6381 0.4791 0.3280 0.076 Uiso 1 1 calc R . . . .
C37 C 0.4364(7) 0.0338(6) -0.1034(6) 0.072(3) Uani 1 1 d . U . . .
H37A H 0.4164 -0.0015 -0.0588 0.108 Uiso 1 1 calc GR . . . .
H37B H 0.4655 0.0020 -0.1403 0.108 Uiso 1 1 calc GR . . . .
H37C H 0.3886 0.0740 -0.1229 0.108 Uiso 1 1 calc GR . . . .
C5 C 0.2365(7) 0.2078(6) 0.1114(6) 0.0647(19) Uani 1 1 d . U . . .
H5A H 0.2807 0.1969 0.0699 0.078 Uiso 1 1 calc R . . . .
H5B H 0.1946 0.2562 0.0922 0.078 Uiso 1 1 calc R . . . .
C10 C 0.7146(6) 0.3715(6) 0.3773(6) 0.0639(19) Uani 1 1 d . U . . .
H10A H 0.7574 0.4026 0.3738 0.077 Uiso 1 1 calc R . . . .
H10B H 0.7099 0.3376 0.4273 0.077 Uiso 1 1 calc R . . . .
C43 C 0.7341(7) 0.0457(6) 0.1634(6) 0.070(2) Uani 1 1 d . U . . .
H43 H 0.6874 0.0680 0.1368 0.084 Uiso 1 1 calc R . . . .
C68 C 0.0888(8) 0.5170(7) 0.6254(7) 0.078(2) Uani 1 1 d . U . . .
C27 C 0.1518(7) 0.4265(7) -0.0531(6) 0.0667(19) Uani 1 1 d . U . . .
H27 H 0.1808 0.3719 -0.0466 0.080 Uiso 1 1 calc R . . . .
C62 C 0.1669(8) 0.1131(7) 0.4913(7) 0.082(2) Uani 1 1 d . U . . .
H62 H 0.1156 0.0994 0.4903 0.099 Uiso 1 1 calc R . . . .
C76 C 0.1619(6) 0.8039(6) -0.0560(6) 0.061(2) Uani 1 1 d . U . . .
H76 H 0.1369 0.8297 -0.0994 0.073 Uiso 1 1 calc R . . . .
C13 C 0.8088(6) 0.2472(7) 0.3452(7) 0.075(2) Uani 1 1 d . U . . .
H13A H 0.8235 0.2126 0.3084 0.090 Uiso 1 1 calc R . . . .
H13B H 0.7856 0.2159 0.3919 0.090 Uiso 1 1 calc R . . . .
C50 C 0.5563(8) 0.1853(7) 0.5378(6) 0.075(2) Uani 1 1 d . U . . .
C47 C 0.8117(7) 0.0455(6) 0.2585(6) 0.068(2) Uani 1 1 d . U . . .
H47 H 0.8176 0.0676 0.2978 0.082 Uiso 1 1 calc R . . . .
C21 C 0.2267(8) 0.7257(6) 0.3622(7) 0.077(2) Uani 1 1 d . U . . .
H21A H 0.2042 0.6945 0.4093 0.092 Uiso 1 1 calc R . . . .
H21B H 0.1863 0.7351 0.3269 0.092 Uiso 1 1 calc R . . . .
C63 C 0.1820(8) 0.1884(7) 0.4520(6) 0.074(2) Uani 1 1 d . U . . .
H63 H 0.1392 0.2269 0.4275 0.089 Uiso 1 1 calc R . . . .
C81 C 0.1474(6) 0.5978(5) 0.2501(6) 0.0514(17) Uani 1 1 d . U . . .
C30 C 0.0644(6) 0.5885(6) -0.0742(6) 0.063(2) Uani 1 1 d . U . . .
C42 C 0.7424(7) 0.0798(6) 0.2210(6) 0.0597(19) Uani 1 1 d . U . . .
C77 C 0.1277(6) 0.8306(6) 0.0098(6) 0.063(2) Uani 1 1 d . U . . .
H77 H 0.0808 0.8748 0.0103 0.075 Uiso 1 1 calc R . . . .
C55 C 0.6174(8) 0.1150(7) 0.5523(6) 0.085(2) Uani 1 1 d . U . . .
H55 H 0.6649 0.1046 0.5165 0.102 Uiso 1 1 calc R . . . .
C32 C 0.0158(7) 0.6767(7) -0.0826(7) 0.088(3) Uani 1 1 d . U . . .
H32A H 0.0035 0.6920 -0.0346 0.131 Uiso 1 1 calc GR . . . .
H32B H -0.0369 0.6831 -0.1018 0.131 Uiso 1 1 calc GR . . . .
H32C H 0.0499 0.7111 -0.1168 0.131 Uiso 1 1 calc GR . . . .
C44 C 0.7947(7) -0.0217(6) 0.1448(7) 0.075(2) Uani 1 1 d . U . . .
H44 H 0.7887 -0.0444 0.1059 0.090 Uiso 1 1 calc R . . . .
C61 C 0.2292(8) 0.0581(7) 0.5323(7) 0.083(2) Uani 1 1 d . U . . .
H61 H 0.2181 0.0083 0.5596 0.099 Uiso 1 1 calc R . . . .
C51 C 0.4873(8) 0.2001(8) 0.5913(6) 0.091(3) Uani 1 1 d . U . . .
H51 H 0.4459 0.2486 0.5823 0.110 Uiso 1 1 calc R . . . .
C6 C 0.1927(7) 0.1368(6) 0.1351(7) 0.076(2) Uani 1 1 d . U . . .
H6A H 0.2335 0.0875 0.1542 0.092 Uiso 1 1 calc R . . . .
H6B H 0.1467 0.1474 0.1755 0.092 Uiso 1 1 calc R . . . .
C72 C -0.0048(8) 0.5643(8) 0.6300(8) 0.115(4) Uani 1 1 d . U . . .
H72A H -0.0300 0.5586 0.5893 0.173 Uiso 1 1 calc GR . . . .
H72B H -0.0075 0.6212 0.6269 0.173 Uiso 1 1 calc GR . . . .
H72C H -0.0357 0.5428 0.6769 0.173 Uiso 1 1 calc GR . . . .
C83 C 0.0068(7) 0.6707(6) 0.3092(7) 0.068(2) Uani 1 1 d . U . . .
H83 H 0.0298 0.6587 0.3541 0.081 Uiso 1 1 calc R . . . .
C38 C 0.5843(7) 0.0615(6) -0.1117(6) 0.066(2) Uani 1 1 d . U . . .
H38 H 0.6052 0.0266 -0.1453 0.079 Uiso 1 1 calc R . . . .
C87 C 0.0222(6) 0.6621(6) 0.1799(6) 0.0620(18) Uani 1 1 d . U . . .
H87 H 0.0535 0.6425 0.1381 0.074 Uiso 1 1 calc R . . . .
C39 C 0.6410(7) 0.0967(6) -0.0905(6) 0.065(2) Uani 1 1 d . U . . .
H39 H 0.6993 0.0831 -0.1074 0.078 Uiso 1 1 calc R . . . .
C82 C 0.0565(6) 0.6442(6) 0.2464(6) 0.0581(18) Uani 1 1 d . U . . .
C64 C 0.3757(9) 0.0143(8) 0.5776(8) 0.119(4) Uani 1 1 d . U . . .
H64A H 0.3586 0.0120 0.6304 0.179 Uiso 1 1 calc GR . . . .
H64B H 0.4287 0.0319 0.5628 0.179 Uiso 1 1 calc GR . . . .
H64C H 0.3833 -0.0390 0.5671 0.179 Uiso 1 1 calc GR . . . .
C54 C 0.6106(9) 0.0589(8) 0.6189(7) 0.098(3) Uani 1 1 d . U . . .
H54 H 0.6525 0.0109 0.6281 0.117 Uiso 1 1 calc R . . . .
C46 C 0.8728(7) -0.0204(7) 0.2405(7) 0.076(2) Uani 1 1 d . U . . .
C15 C 0.9624(9) 0.1918(9) 0.3729(9) 0.110(3) Uani 1 1 d . U . . .
H15A H 1.0064 0.2067 0.3919 0.131 Uiso 1 1 calc R . . . .
H15B H 0.9397 0.1516 0.4124 0.131 Uiso 1 1 calc R . . . .
C88 C -0.1329(8) 0.7412(8) 0.3733(8) 0.103(3) Uani 1 1 d . U . . .
H88A H -0.1678 0.7025 0.3963 0.155 Uiso 1 1 calc GR . . . .
H88B H -0.1690 0.7944 0.3591 0.155 Uiso 1 1 calc GR . . . .
H88C H -0.0971 0.7430 0.4084 0.155 Uiso 1 1 calc GR . . . .
C29 C 0.0456(7) 0.5365(7) -0.1092(6) 0.067(2) Uani 1 1 d . U . . .
H29 H 0.0020 0.5555 -0.1396 0.081 Uiso 1 1 calc R . . . .
C52 C 0.4774(9) 0.1447(8) 0.6589(7) 0.101(3) Uani 1 1 d . U . . .
C59 C 0.3231(8) 0.1496(7) 0.4888(6) 0.077(2) Uani 1 1 d . U . . .
H59 H 0.3765 0.1609 0.4857 0.092 Uiso 1 1 calc R . . . .
C28 C 0.0889(7) 0.4573(7) -0.1011(6) 0.070(2) Uani 1 1 d . U . . .
H28 H 0.0767 0.4232 -0.1275 0.084 Uiso 1 1 calc R . . . .
C86 C -0.0610(7) 0.7106(6) 0.1771(7) 0.073(2) Uani 1 1 d . U . . .
H86 H -0.0838 0.7257 0.1319 0.087 Uiso 1 1 calc R . . . .
C60 C 0.3062(8) 0.0754(7) 0.5336(7) 0.083(2) Uani 1 1 d . U . . .
C22 C 0.2305(8) 0.8091(7) 0.3754(7) 0.090(2) Uani 1 1 d . U . . .
H22A H 0.2553 0.8408 0.3298 0.107 Uiso 1 1 calc R . . . .
H22B H 0.2654 0.8015 0.4147 0.107 Uiso 1 1 calc R . . . .
C48 C 0.9489(8) -0.0577(8) 0.2826(8) 0.108(4) Uani 1 1 d . U . . .
H48A H 0.9994 -0.0440 0.2517 0.162 Uiso 1 1 calc GR . . . .
H48B H 0.9563 -0.1161 0.2953 0.162 Uiso 1 1 calc GR . . . .
H48C H 0.9397 -0.0368 0.3277 0.162 Uiso 1 1 calc GR . . . .
C84 C -0.0778(7) 0.7155(6) 0.3051(7) 0.071(2) Uani 1 1 d . U . . .
C45 C 0.8626(8) -0.0544(7) 0.1833(7) 0.080(2) Uani 1 1 d . U . . .
H45 H 0.9028 -0.1000 0.1713 0.096 Uiso 1 1 calc R . . . .
C8 C 0.1043(10) 0.0610(9) 0.0920(10) 0.132(5) Uani 1 1 d . U . . .
H8A H 0.1040 0.0396 0.0488 0.198 Uiso 1 1 calc GR . . . .
H8B H 0.0467 0.0857 0.1102 0.198 Uiso 1 1 calc GR . . . .
H8C H 0.1283 0.0174 0.1306 0.198 Uiso 1 1 calc GR . . . .
C53 C 0.5403(9) 0.0758(8) 0.6715(7) 0.109(3) Uani 1 1 d . U . . .
H53 H 0.5357 0.0389 0.7170 0.130 Uiso 1 1 calc R . . . .
C7 C 0.1565(8) 0.1232(7) 0.0709(8) 0.089(3) Uani 1 1 d . U . . .
H7A H 0.1215 0.1748 0.0481 0.107 Uiso 1 1 calc R . . . .
H7B H 0.2036 0.1069 0.0332 0.107 Uiso 1 1 calc R . . . .
C85 C -0.1088(7) 0.7360(7) 0.2382(7) 0.076(2) Uani 1 1 d . U . . .
H85 H -0.1639 0.7682 0.2345 0.091 Uiso 1 1 calc R . . . .
C57 C 0.2780(8) 0.2862(7) 0.4041(6) 0.066(2) Uani 1 1 d . U . . .
C14 C 0.8918(7) 0.2663(8) 0.3577(7) 0.086(2) Uani 1 1 d . U . . .
H14A H 0.9111 0.3038 0.3135 0.103 Uiso 1 1 calc R . . . .
H14B H 0.8792 0.2937 0.3997 0.103 Uiso 1 1 calc R . . . .
C23 C 0.1350(10) 0.8550(8) 0.3994(8) 0.114(3) Uani 1 1 d . U . . .
H23A H 0.0999 0.8613 0.3605 0.136 Uiso 1 1 calc R . . . .
H23B H 0.1107 0.8235 0.4454 0.136 Uiso 1 1 calc R . . . .
C24 C 0.1369(13) 0.9384(10) 0.4112(11) 0.173(6) Uani 1 1 d . U . . .
H24A H 0.1605 0.9318 0.4566 0.260 Uiso 1 1 calc GR . . . .
H24B H 0.0797 0.9716 0.4149 0.260 Uiso 1 1 calc GR . . . .
H24C H 0.1717 0.9644 0.3695 0.260 Uiso 1 1 calc GR . . . .
C16 C 0.9997(10) 0.1558(11) 0.3138(10) 0.157(5) Uani 1 1 d . U . . .
H16A H 1.0118 0.1970 0.2706 0.235 Uiso 1 1 calc GR . . . .
H16B H 0.9616 0.1273 0.3030 0.235 Uiso 1 1 calc GR . . . .
H16C H 1.0521 0.1178 0.3259 0.235 Uiso 1 1 calc GR . . . .
C56 C 0.3974(12) 0.1660(11) 0.7178(9) 0.175(6) Uani 1 1 d . U . . .
H56A H 0.3466 0.1659 0.6986 0.263 Uiso 1 1 calc GR . . . .
H56B H 0.3933 0.2192 0.7272 0.263 Uiso 1 1 calc GR . . . .
H56C H 0.4032 0.1259 0.7637 0.263 Uiso 1 1 calc GR . . . .
C90 C 0.3673(9) 0.3460(8) -0.1329(8) 0.108(4) Uani 1 1 d D U . . .
H90A H 0.4037 0.3495 -0.1801 0.162 Uiso 1 1 calc GR . . . .
H90B H 0.4018 0.3287 -0.0926 0.162 Uiso 1 1 calc GR . . . .
H90C H 0.3304 0.3987 -0.1299 0.162 Uiso 1 1 calc GR . . . .
N4 N 0.2670(14) 0.2327(12) -0.1190(14) 0.251(11) Uani 1 1 d . . . . .
C89 C 0.3139(10) 0.2849(9) -0.1265(8) 0.107(3) Uani 1 1 d D U . . .
H1 H 0.479(4) 0.4736(18) 0.211(3) 0.04(2) Uiso 1 1 d D . . . .
H2 H 0.513(3) 0.2354(16) 0.326(5) 0.12(5) Uiso 1 1 d D . . . .
H3 H 0.428(4) 0.402(3) 0.0518(8) 0.003(15) Uiso 1 1 d D . . . .
H4 H 0.270(4) 0.450(5) 0.342(3) 0.06(3) Uiso 1 1 d 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
Dy3 Dy1 3.9108(8) . ?
Dy3 Dy2 3.9312(9) . ?
Dy3 Co1 3.3106(12) . ?
Dy3 Co2 3.3111(12) . ?
Dy3 O23 2.369(5) . ?
Dy3 O3 2.401(5) . ?
Dy3 O5 2.325(5) . ?
Dy3 O9 2.295(5) . ?
Dy3 O22 2.372(5) . ?
Dy3 O4 2.388(5) . ?
Dy3 O1 2.382(5) . ?
Dy3 O11 2.347(6) . ?
Dy1 Dy2 3.9667(9) . ?
Dy1 Co1 3.3108(13) . ?
Dy1 Co3 3.3395(13) . ?
Dy1 O24 2.362(5) 2_665 ?
Dy1 O3 2.389(5) . ?
Dy1 O10 2.277(5) . ?
Dy1 O19 2.392(5) . ?
Dy1 O8 2.325(5) . ?
Dy1 O1 2.366(5) . ?
Dy1 O2 2.436(5) . ?
Dy1 O18 2.346(5) . ?
Dy2 Co2 3.2646(13) . ?
Dy2 Co3 3.3201(13) . ?
Dy2 O4 2.355(6) . ?
Dy2 O1 2.480(5) . ?
Dy2 O6 2.313(5) . ?
Dy2 O2 2.374(5) . ?
Dy2 O14 2.394(6) . ?
Dy2 O7 2.352(6) . ?
Dy2 O15 2.348(6) . ?
Dy2 O25 2.282(6) . ?
Co1 O3 1.918(5) . ?
Co1 O10 1.891(5) . ?
Co1 O20 1.928(5) . ?
Co1 O21 1.914(6) . ?
Co1 O9 1.876(5) . ?
Co1 N1 1.983(7) . ?
Co2 O5 1.869(6) . ?
Co2 O4 1.907(5) . ?
Co2 O13 1.905(6) . ?
Co2 O6 1.904(6) . ?
Co2 O12 1.919(6) . ?
Co2 N2 1.981(7) . ?
Co3 O8 1.870(5) . ?
Co3 O2 1.920(5) . ?
Co3 O16 1.951(6) . ?
Co3 O17 1.927(6) . ?
Co3 O7 1.880(5) . ?
Co3 N3 1.991(7) . ?
O23 C73 1.263(10) . ?
O24 Dy1 2.362(5) 2_665 ?
O24 C73 1.265(9) . ?
O10 C4 1.395(10) . ?
O20 C33 1.288(10) . ?
O5 C20 1.392(10) . ?
O21 C25 1.289(10) . ?
O19 C33 1.223(10) . ?
O9 C2 1.404(10) . ?
O8 C12 1.403(10) . ?
O22 C25 1.230(9) . ?
O13 C65 1.277(11) . ?
O6 C17 1.404(10) . ?
O16 C49 1.289(11) . ?
O18 C41 1.255(11) . ?
O14 C65 1.236(11) . ?
O17 C41 1.264(10) . ?
O11 C81 1.253(10) . ?
O12 C81 1.274(10) . ?
O7 C9 1.405(10) . ?
C65 C66 1.519(13) . ?
O15 C49 1.209(12) . ?
O26 C57 1.276(12) . ?
C33 C34 1.525(11) . ?
C73 C74 1.499(11) . ?
O25 C57 1.275(12) . ?
C4 C3 1.494(12) . ?
N2 C18 1.493(11) . ?
N2 C19 1.459(12) . ?
N2 C21 1.497(12) . ?
N1 C1 1.487(12) . ?
N1 C3 1.493(11) . ?
N1 C5 1.484(11) . ?
C79 C74 1.391(11) . ?
C79 C78 1.390(12) . ?
C17 C18 1.487(13) . ?
C12 C11 1.519(13) . ?
C20 C19 1.528(12) . ?
C34 C35 1.366(12) . ?
C34 C40 1.409(13) . ?
C11 N3 1.492(12) . ?
C74 C75 1.402(12) . ?
C35 C36 1.391(12) . ?
C49 C50 1.489(14) . ?
C25 C26 1.529(12) . ?
C26 C31 1.356(12) . ?
C26 C27 1.388(12) . ?
C31 C30 1.376(12) . ?
C66 C71 1.368(14) . ?
C66 C67 1.392(14) . ?
C41 C42 1.504(12) . ?
C36 C37 1.516(13) . ?
C36 C38 1.384(14) . ?
C40 C39 1.378(12) . ?
C71 C70 1.392(13) . ?
C78 C80 1.498(13) . ?
C78 C77 1.384(13) . ?
C70 C69 1.379(15) . ?
C1 C2 1.505(12) . ?
N3 C10 1.505(11) . ?
N3 C13 1.468(12) . ?
C69 C68 1.379(15) . ?
C58 C63 1.381(14) . ?
C58 C59 1.396(15) . ?
C58 C57 1.499(14) . ?
C75 C76 1.393(12) . ?
C67 C68 1.406(14) . ?
C9 C10 1.521(13) . ?
C5 C6 1.513(12) . ?
C43 C42 1.381(13) . ?
C43 C44 1.386(13) . ?
C68 C72 1.530(16) . ?
C27 C28 1.396(13) . ?
C62 C63 1.387(14) . ?
C62 C61 1.395(16) . ?
C76 C77 1.376(13) . ?
C13 C14 1.543(14) . ?
C50 C55 1.362(14) . ?
C50 C51 1.369(15) . ?
C47 C42 1.361(13) . ?
C47 C46 1.368(13) . ?
C21 C22 1.536(13) . ?
C81 C82 1.495(13) . ?
C30 C32 1.509(14) . ?
C30 C29 1.350(13) . ?
C55 C54 1.376(15) . ?
C44 C45 1.351(15) . ?
C61 C60 1.369(16) . ?
C51 C52 1.389(15) . ?
C6 C7 1.513(15) . ?
C83 C82 1.392(13) . ?
C83 C84 1.401(14) . ?
C38 C39 1.388(13) . ?
C87 C82 1.381(13) . ?
C87 C86 1.399(13) . ?
C64 C60 1.539(17) . ?
C54 C53 1.378(16) . ?
C46 C48 1.506(16) . ?
C46 C45 1.382(15) . ?
C15 C14 1.495(16) . ?
C15 C16 1.357(19) . ?
C88 C84 1.498(15) . ?
C29 C28 1.354(13) . ?
C52 C53 1.357(16) . ?
C52 C56 1.564(18) . ?
C59 C60 1.411(14) . ?
C86 C85 1.349(14) . ?
C22 C23 1.589(17) . ?
C84 C85 1.357(15) . ?
C8 C7 1.477(15) . ?
C23 C24 1.518(18) . ?
C90 C89 1.506(14) . ?
N4 C89 1.29(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Dy1 Dy3 Dy2 60.773(14) . . ?
Co1 Dy3 Dy1 53.80(2) . . ?
Co1 Dy3 Dy2 93.02(2) . . ?
Co1 Dy3 Co2 138.78(3) . . ?
Co2 Dy3 Dy1 110.93(2) . . ?
Co2 Dy3 Dy2 52.74(2) . . ?
O23 Dy3 Dy1 97.67(13) . . ?
O23 Dy3 Dy2 127.46(13) . . ?
O23 Dy3 Co1 112.34(13) . . ?
O23 Dy3 Co2 107.38(13) . . ?
O23 Dy3 O3 84.40(17) . . ?
O23 Dy3 O22 71.98(19) . . ?
O23 Dy3 O4 140.57(18) . . ?
O23 Dy3 O1 97.73(19) . . ?
O3 Dy3 Dy1 35.15(12) . . ?
O3 Dy3 Dy2 94.57(12) . . ?
O3 Dy3 Co1 34.86(13) . . ?
O3 Dy3 Co2 146.08(12) . . ?
O5 Dy3 Dy1 114.28(14) . . ?
O5 Dy3 Dy2 73.77(14) . . ?
O5 Dy3 Co1 166.16(14) . . ?
O5 Dy3 Co2 33.26(14) . . ?
O5 Dy3 O23 74.16(18) . . ?
O5 Dy3 O3 139.91(19) . . ?
O5 Dy3 O22 127.62(19) . . ?
O5 Dy3 O4 67.01(19) . . ?
O5 Dy3 O1 81.10(18) . . ?
O5 Dy3 O11 75.98(19) . . ?
O9 Dy3 Dy1 74.76(13) . . ?
O9 Dy3 Dy2 82.62(14) . . ?
O9 Dy3 Co1 33.25(13) . . ?
O9 Dy3 Co2 110.85(13) . . ?
O9 Dy3 O23 141.21(18) . . ?
O9 Dy3 O3 67.47(18) . . ?
O9 Dy3 O5 144.01(19) . . ?
O9 Dy3 O22 74.77(19) . . ?
O9 Dy3 O4 78.21(18) . . ?
O9 Dy3 O1 96.12(18) . . ?
O9 Dy3 O11 87.00(19) . . ?
O22 Dy3 Dy1 108.88(13) . . ?
O22 Dy3 Dy2 157.14(13) . . ?
O22 Dy3 Co1 66.09(13) . . ?
O22 Dy3 Co2 139.83(14) . . ?
O22 Dy3 O3 73.84(18) . . ?
O22 Dy3 O4 139.5(2) . . ?
O22 Dy3 O1 141.79(18) . . ?
O4 Dy3 Dy1 92.20(13) . . ?
O4 Dy3 Dy2 33.74(13) . . ?
O4 Dy3 Co1 104.28(13) . . ?
O4 Dy3 Co2 34.52(13) . . ?
O4 Dy3 O3 121.81(18) . . ?
O1 Dy3 Dy1 34.41(12) . . ?
O1 Dy3 Dy2 36.89(13) . . ?
O1 Dy3 Co1 85.83(12) . . ?
O1 Dy3 Co2 78.30(12) . . ?
O1 Dy3 O3 68.50(17) . . ?
O1 Dy3 O4 70.30(18) . . ?
O11 Dy3 Dy1 159.92(14) . . ?
O11 Dy3 Dy2 109.24(14) . . ?
O11 Dy3 Co1 113.18(13) . . ?
O11 Dy3 Co2 67.46(14) . . ?
O11 Dy3 O23 101.9(2) . . ?
O11 Dy3 O3 142.64(18) . . ?
O11 Dy3 O22 73.4(2) . . ?
O11 Dy3 O4 75.6(2) . . ?
O11 Dy3 O1 144.25(18) . . ?
Dy3 Dy1 Dy2 59.868(12) . . ?
Co1 Dy1 Dy3 53.80(2) . . ?
Co1 Dy1 Dy2 92.38(2) . . ?
Co1 Dy1 Co3 138.83(3) . . ?
Co3 Dy1 Dy3 110.40(2) . . ?
Co3 Dy1 Dy2 53.22(2) . . ?
O24 Dy1 Dy3 98.17(13) 2_665 . ?
O24 Dy1 Dy2 127.77(12) 2_665 . ?
O24 Dy1 Co1 112.39(14) 2_665 . ?
O24 Dy1 Co3 107.22(13) 2_665 . ?
O24 Dy1 O3 84.58(18) 2_665 . ?
O24 Dy1 O19 71.87(19) 2_665 . ?
O24 Dy1 O1 98.31(18) 2_665 . ?
O24 Dy1 O2 140.48(18) 2_665 . ?
O3 Dy1 Dy3 35.36(12) . . ?
O3 Dy1 Dy2 93.87(12) . . ?
O3 Dy1 Co1 34.80(12) . . ?
O3 Dy1 Co3 145.76(12) . . ?
O3 Dy1 O19 74.20(18) . . ?
O3 Dy1 O2 121.63(18) . . ?
O10 Dy1 Dy3 74.12(13) . . ?
O10 Dy1 Dy2 81.22(13) . . ?
O10 Dy1 Co1 33.53(13) . . ?
O10 Dy1 Co3 110.37(13) . . ?
O10 Dy1 O24 141.96(18) . 2_665 ?
O10 Dy1 O3 67.53(18) . . ?
O10 Dy1 O19 75.83(19) . . ?
O10 Dy1 O8 143.01(19) . . ?
O10 Dy1 O1 95.25(18) . . ?
O10 Dy1 O2 77.53(18) . . ?
O10 Dy1 O18 85.3(2) . . ?
O19 Dy1 Dy3 109.43(14) . . ?
O19 Dy1 Dy2 156.77(14) . . ?
O19 Dy1 Co1 66.35(14) . . ?
O19 Dy1 Co3 139.81(14) . . ?
O19 Dy1 O2 139.51(19) . . ?
O8 Dy1 Dy3 114.45(13) . . ?
O8 Dy1 Dy2 74.29(13) . . ?
O8 Dy1 Co1 166.18(13) . . ?
O8 Dy1 Co3 32.75(13) . . ?
O8 Dy1 O24 74.50(19) . 2_665 ?
O8 Dy1 O3 140.30(18) . . ?
O8 Dy1 O19 127.40(19) . . ?
O8 Dy1 O1 80.97(18) . . ?
O8 Dy1 O2 66.62(18) . . ?
O8 Dy1 O18 75.87(19) . . ?
O1 Dy1 Dy3 34.67(13) . . ?
O1 Dy1 Dy2 36.02(13) . . ?
O1 Dy1 Co1 86.07(13) . . ?
O1 Dy1 Co3 77.46(13) . . ?
O1 Dy1 O3 68.96(17) . . ?
O1 Dy1 O19 142.65(19) . . ?
O1 Dy1 O2 69.49(18) . . ?
O2 Dy1 Dy3 91.68(12) . . ?
O2 Dy1 Dy2 33.94(12) . . ?
O2 Dy1 Co1 104.31(13) . . ?
O2 Dy1 Co3 34.55(13) . . ?
O18 Dy1 Dy3 156.55(15) . . ?
O18 Dy1 Dy2 106.58(15) . . ?
O18 Dy1 Co1 112.28(14) . . ?
O18 Dy1 Co3 66.08(14) . . ?
O18 Dy1 O24 105.0(2) . 2_665 ?
O18 Dy1 O3 143.11(18) . . ?
O18 Dy1 O19 75.3(2) . . ?
O18 Dy1 O1 141.02(19) . . ?
O18 Dy1 O2 72.65(19) . . ?
Dy3 Dy2 Dy1 59.359(16) . . ?
Co2 Dy2 Dy3 53.83(2) . . ?
Co2 Dy2 Dy1 110.61(2) . . ?
Co2 Dy2 Co3 143.76(3) . . ?
Co3 Dy2 Dy3 110.34(2) . . ?
Co3 Dy2 Dy1 53.67(2) . . ?
O4 Dy2 Dy3 34.28(12) . . ?
O4 Dy2 Dy1 91.32(12) . . ?
O4 Dy2 Co2 35.18(13) . . ?
O4 Dy2 Co3 144.32(12) . . ?
O4 Dy2 O1 69.15(18) . . ?
O4 Dy2 O2 118.96(18) . . ?
O4 Dy2 O14 79.2(2) . . ?
O1 Dy2 Dy3 35.20(12) . . ?
O1 Dy2 Dy1 34.12(11) . . ?
O1 Dy2 Co2 77.98(12) . . ?
O1 Dy2 Co3 76.46(12) . . ?
O6 Dy2 Dy3 75.40(14) . . ?
O6 Dy2 Dy1 113.46(14) . . ?
O6 Dy2 Co2 34.93(14) . . ?
O6 Dy2 Co3 115.13(14) . . ?
O6 Dy2 O4 69.17(19) . . ?
O6 Dy2 O1 81.10(18) . . ?
O6 Dy2 O2 140.5(2) . . ?
O6 Dy2 O14 73.3(2) . . ?
O6 Dy2 O7 82.61(19) . . ?
O6 Dy2 O15 116.2(2) . . ?
O2 Dy2 Dy3 92.13(13) . . ?
O2 Dy2 Dy1 34.95(13) . . ?
O2 Dy2 Co2 145.31(13) . . ?
O2 Dy2 Co3 34.62(13) . . ?
O2 Dy2 O1 68.61(18) . . ?
O2 Dy2 O14 144.1(2) . . ?
O14 Dy2 Dy3 112.97(16) . . ?
O14 Dy2 Dy1 165.68(17) . . ?
O14 Dy2 Co2 67.09(15) . . ?
O14 Dy2 Co3 136.52(16) . . ?
O14 Dy2 O1 144.72(19) . . ?
O7 Dy2 Dy3 111.22(14) . . ?
O7 Dy2 Dy1 72.88(13) . . ?
O7 Dy2 Co2 115.46(13) . . ?
O7 Dy2 Co3 33.52(13) . . ?
O7 Dy2 O4 139.01(19) . . ?
O7 Dy2 O1 77.81(18) . . ?
O7 Dy2 O2 66.98(18) . . ?
O7 Dy2 O14 121.2(2) . . ?
O15 Dy2 Dy3 168.36(19) . . ?
O15 Dy2 Dy1 112.65(17) . . ?
O15 Dy2 Co2 136.10(17) . . ?
O15 Dy2 Co3 65.39(16) . . ?
O15 Dy2 O4 147.5(2) . . ?
O15 Dy2 O1 141.8(2) . . ?
O15 Dy2 O2 78.5(2) . . ?
O15 Dy2 O14 72.8(2) . . ?
O15 Dy2 O7 71.7(2) . . ?
O25 Dy2 Dy3 92.03(16) . . ?
O25 Dy2 Dy1 89.49(16) . . ?
O25 Dy2 Co2 108.66(16) . . ?
O25 Dy2 Co3 103.90(16) . . ?
O25 Dy2 O4 79.7(2) . . ?
O25 Dy2 O1 109.6(2) . . ?
O25 Dy2 O6 141.0(2) . . ?
O25 Dy2 O2 75.4(2) . . ?
O25 Dy2 O14 78.4(2) . . ?
O25 Dy2 O7 135.8(2) . . ?
O25 Dy2 O15 79.0(3) . . ?
Dy3 Co1 Dy1 72.40(2) . . ?
O3 Co1 Dy3 45.66(15) . . ?
O3 Co1 Dy1 45.29(15) . . ?
O3 Co1 O20 95.5(2) . . ?
O3 Co1 N1 170.5(3) . . ?
O10 Co1 Dy3 94.89(15) . . ?
O10 Co1 Dy1 41.68(16) . . ?
O10 Co1 O3 85.9(2) . . ?
O10 Co1 O20 90.8(2) . . ?
O10 Co1 O21 177.5(2) . . ?
O10 Co1 N1 87.1(3) . . ?
O20 Co1 Dy3 139.89(17) . . ?
O20 Co1 Dy1 86.49(17) . . ?
O20 Co1 N1 90.9(3) . . ?
O21 Co1 Dy3 86.92(15) . . ?
O21 Co1 Dy1 137.85(17) . . ?
O21 Co1 O3 94.2(2) . . ?
O21 Co1 O20 86.7(2) . . ?
O21 Co1 N1 93.1(3) . . ?
O9 Co1 Dy3 42.12(15) . . ?
O9 Co1 Dy1 96.30(16) . . ?
O9 Co1 O3 86.9(2) . . ?
O9 Co1 O10 90.9(2) . . ?
O9 Co1 O20 177.2(2) . . ?
O9 Co1 O21 91.6(2) . . ?
O9 Co1 N1 86.9(3) . . ?
N1 Co1 Dy3 129.0(2) . . ?
N1 Co1 Dy1 128.5(2) . . ?
Dy2 Co2 Dy3 73.43(3) . . ?
O5 Co2 Dy3 43.02(15) . . ?
O5 Co2 Dy2 97.53(17) . . ?
O5 Co2 O4 87.1(2) . . ?
O5 Co2 O13 174.5(3) . . ?
O5 Co2 O6 91.3(3) . . ?
O5 Co2 O12 90.6(2) . . ?
O5 Co2 N2 87.5(3) . . ?
O4 Co2 Dy3 45.20(16) . . ?
O4 Co2 Dy2 45.36(17) . . ?
O4 Co2 O12 93.5(2) . . ?
O4 Co2 N2 171.3(3) . . ?
O13 Co2 Dy3 137.08(18) . . ?
O13 Co2 Dy2 87.21(18) . . ?
O13 Co2 O4 94.3(2) . . ?
O13 Co2 O12 84.1(3) . . ?
O13 Co2 N2 91.7(3) . . ?
O6 Co2 Dy3 97.43(16) . . ?
O6 Co2 Dy2 44.07(16) . . ?
O6 Co2 O4 88.1(2) . . ?
O6 Co2 O13 94.0(3) . . ?
O6 Co2 O12 177.6(2) . . ?
O6 Co2 N2 85.3(3) . . ?
O12 Co2 Dy3 85.00(16) . . ?
O12 Co2 Dy2 137.12(17) . . ?
O12 Co2 N2 93.3(3) . . ?
N2 Co2 Dy3 130.3(2) . . ?
N2 Co2 Dy2 129.0(2) . . ?
Dy2 Co3 Dy1 73.12(3) . . ?
O8 Co3 Dy1 42.27(16) . . ?
O8 Co3 Dy2 97.54(17) . . ?
O8 Co3 O2 87.3(2) . . ?
O8 Co3 O16 175.1(2) . . ?
O8 Co3 O17 89.6(2) . . ?
O8 Co3 O7 89.8(2) . . ?
O8 Co3 N3 87.8(3) . . ?
O2 Co3 Dy1 46.02(17) . . ?
O2 Co3 Dy2 44.63(16) . . ?
O2 Co3 O16 92.6(2) . . ?
O2 Co3 O17 94.6(2) . . ?
O2 Co3 N3 171.0(3) . . ?
O16 Co3 Dy1 136.56(18) . . ?
O16 Co3 Dy2 85.80(17) . . ?
O16 Co3 N3 92.9(3) . . ?
O17 Co3 Dy1 85.41(18) . . ?
O17 Co3 Dy2 137.67(19) . . ?
O17 Co3 O16 85.6(2) . . ?
O17 Co3 N3 92.9(3) . . ?
O7 Co3 Dy1 94.97(17) . . ?
O7 Co3 Dy2 43.69(17) . . ?
O7 Co3 O2 86.7(2) . . ?
O7 Co3 O16 95.0(2) . . ?
O7 Co3 O17 178.6(3) . . ?
O7 Co3 N3 85.8(3) . . ?
N3 Co3 Dy1 129.9(2) . . ?
N3 Co3 Dy2 128.9(2) . . ?
C73 O23 Dy3 137.2(5) . . ?
C73 O24 Dy1 137.3(5) . 2_665 ?
Dy1 O3 Dy3 109.49(19) . . ?
Co1 O3 Dy3 99.5(2) . . ?
Co1 O3 Dy1 99.9(2) . . ?
Co1 O10 Dy1 104.8(2) . . ?
C4 O10 Dy1 141.6(5) . . ?
C4 O10 Co1 112.8(5) . . ?
C33 O20 Co1 125.1(5) . . ?
Co2 O5 Dy3 103.7(2) . . ?
C20 O5 Dy3 139.9(5) . . ?
C20 O5 Co2 109.7(5) . . ?
C25 O21 Co1 124.8(5) . . ?
C33 O19 Dy1 132.2(6) . . ?
Co1 O9 Dy3 104.6(2) . . ?
C2 O9 Dy3 134.9(5) . . ?
C2 O9 Co1 109.4(5) . . ?
Co3 O8 Dy1 105.0(2) . . ?
C12 O8 Dy1 138.3(5) . . ?
C12 O8 Co3 109.7(5) . . ?
C25 O22 Dy3 133.7(6) . . ?
Dy2 O4 Dy3 112.0(2) . . ?
Co2 O4 Dy3 100.3(2) . . ?
Co2 O4 Dy2 99.5(2) . . ?
Dy3 O1 Dy2 107.9(2) . . ?
Dy1 O1 Dy3 110.9(2) . . ?
Dy1 O1 Dy2 109.9(2) . . ?
C65 O13 Co2 125.3(6) . . ?
Co2 O6 Dy2 101.0(2) . . ?
C17 O6 Dy2 139.0(6) . . ?
C17 O6 Co2 114.4(5) . . ?
Dy2 O2 Dy1 111.1(2) . . ?
Co3 O2 Dy1 99.4(2) . . ?
Co3 O2 Dy2 100.8(2) . . ?
C49 O16 Co3 124.3(6) . . ?
C41 O18 Dy1 132.7(6) . . ?
C65 O14 Dy2 130.7(6) . . ?
C41 O17 Co3 125.8(6) . . ?
C81 O11 Dy3 132.6(6) . . ?
C81 O12 Co2 127.7(5) . . ?
Co3 O7 Dy2 102.8(2) . . ?
C9 O7 Dy2 135.7(5) . . ?
C9 O7 Co3 114.8(5) . . ?
O13 C65 C66 113.3(9) . . ?
O14 C65 O13 129.0(9) . . ?
O14 C65 C66 117.7(10) . . ?
C49 O15 Dy2 134.9(7) . . ?
O20 C33 C34 113.3(8) . . ?
O19 C33 O20 127.9(8) . . ?
O19 C33 C34 118.7(8) . . ?
O23 C73 O24 122.8(8) . . ?
O23 C73 C74 118.4(8) . . ?
O24 C73 C74 118.8(8) . . ?
C57 O25 Dy2 135.8(6) . . ?
O10 C4 C3 111.3(8) . . ?
C18 N2 Co2 103.8(5) . . ?
C18 N2 C21 109.9(7) . . ?
C19 N2 Co2 106.3(5) . . ?
C19 N2 C18 112.5(8) . . ?
C19 N2 C21 111.4(8) . . ?
C21 N2 Co2 112.7(6) . . ?
C1 N1 Co1 106.9(5) . . ?
C1 N1 C3 110.4(8) . . ?
C3 N1 Co1 103.7(5) . . ?
C5 N1 Co1 113.2(6) . . ?
C5 N1 C1 112.7(7) . . ?
C5 N1 C3 109.5(7) . . ?
C78 C79 C74 122.1(9) . . ?
O6 C17 C18 111.0(8) . . ?
O8 C12 C11 108.0(8) . . ?
O5 C20 C19 107.5(8) . . ?
C35 C34 C33 122.4(9) . . ?
C35 C34 C40 119.0(8) . . ?
C40 C34 C33 118.4(8) . . ?
N3 C11 C12 110.9(8) . . ?
C79 C74 C73 121.5(8) . . ?
C79 C74 C75 118.1(8) . . ?
C75 C74 C73 120.3(8) . . ?
C34 C35 C36 123.0(10) . . ?
O16 C49 C50 115.5(10) . . ?
O15 C49 O16 126.0(10) . . ?
O15 C49 C50 118.5(10) . . ?
O21 C25 C26 116.0(7) . . ?
O22 C25 O21 127.9(8) . . ?
O22 C25 C26 116.1(8) . . ?
C31 C26 C25 121.0(8) . . ?
C31 C26 C27 118.2(9) . . ?
C27 C26 C25 120.8(9) . . ?
C26 C31 C30 122.9(9) . . ?
C71 C66 C65 120.4(10) . . ?
C71 C66 C67 120.0(10) . . ?
C67 C66 C65 119.6(10) . . ?
O18 C41 O17 127.4(8) . . ?
O18 C41 C42 116.9(8) . . ?
O17 C41 C42 115.7(8) . . ?
C35 C36 C37 120.6(9) . . ?
C38 C36 C35 116.5(9) . . ?
C38 C36 C37 122.9(8) . . ?
C39 C40 C34 119.7(9) . . ?
C66 C71 C70 120.9(11) . . ?
C79 C78 C80 120.6(9) . . ?
C77 C78 C79 119.0(9) . . ?
C77 C78 C80 120.3(9) . . ?
C69 C70 C71 117.8(11) . . ?
C17 C18 N2 110.9(7) . . ?
N1 C1 C2 109.8(8) . . ?
N1 C3 C4 109.1(7) . . ?
C11 N3 Co3 105.8(5) . . ?
C11 N3 C10 113.0(8) . . ?
C10 N3 Co3 103.4(6) . . ?
C13 N3 Co3 113.7(6) . . ?
C13 N3 C11 111.2(8) . . ?
C13 N3 C10 109.5(8) . . ?
O9 C2 C1 108.2(8) . . ?
C70 C69 C68 123.8(11) . . ?
C63 C58 C59 119.6(10) . . ?
C63 C58 C57 120.1(11) . . ?
C59 C58 C57 120.3(10) . . ?
C76 C75 C74 119.5(9) . . ?
N2 C19 C20 111.4(8) . . ?
C66 C67 C68 120.8(11) . . ?
O7 C9 C10 111.0(8) . . ?
N1 C5 C6 118.6(9) . . ?
N3 C10 C9 109.2(8) . . ?
C42 C43 C44 120.6(10) . . ?
C69 C68 C67 116.7(11) . . ?
C69 C68 C72 123.8(11) . . ?
C67 C68 C72 119.5(12) . . ?
C26 C27 C28 119.0(10) . . ?
C63 C62 C61 119.5(12) . . ?
C77 C76 C75 121.3(10) . . ?
N3 C13 C14 115.8(9) . . ?
C55 C50 C49 124.4(11) . . ?
C55 C50 C51 118.6(11) . . ?
C51 C50 C49 116.9(10) . . ?
C42 C47 C46 122.3(11) . . ?
N2 C21 C22 116.1(10) . . ?
C58 C63 C62 120.1(12) . . ?
O11 C81 O12 126.9(8) . . ?
O11 C81 C82 118.5(9) . . ?
O12 C81 C82 114.6(8) . . ?
C31 C30 C32 120.2(10) . . ?
C29 C30 C31 118.3(10) . . ?
C29 C30 C32 121.4(10) . . ?
C43 C42 C41 119.2(9) . . ?
C47 C42 C41 122.6(9) . . ?
C47 C42 C43 118.1(9) . . ?
C76 C77 C78 119.9(9) . . ?
C50 C55 C54 121.5(12) . . ?
C45 C44 C43 119.8(11) . . ?
C60 C61 C62 121.9(11) . . ?
C50 C51 C52 121.8(12) . . ?
C7 C6 C5 112.1(10) . . ?
C82 C83 C84 120.2(11) . . ?
C36 C38 C39 122.5(9) . . ?
C82 C87 C86 118.2(10) . . ?
C40 C39 C38 119.2(10) . . ?
C83 C82 C81 120.3(10) . . ?
C87 C82 C81 119.9(9) . . ?
C87 C82 C83 119.8(10) . . ?
C55 C54 C53 118.4(12) . . ?
C47 C46 C48 121.6(11) . . ?
C47 C46 C45 118.7(11) . . ?
C45 C46 C48 119.6(11) . . ?
C16 C15 C14 116.4(14) . . ?
C30 C29 C28 121.3(10) . . ?
C51 C52 C56 119.0(12) . . ?
C53 C52 C51 117.7(12) . . ?
C53 C52 C56 123.2(12) . . ?
C58 C59 C60 120.7(11) . . ?
C29 C28 C27 120.3(10) . . ?
C85 C86 C87 121.6(12) . . ?
C61 C60 C64 122.1(11) . . ?
C61 C60 C59 117.9(12) . . ?
C59 C60 C64 119.9(12) . . ?
C21 C22 C23 107.2(11) . . ?
C83 C84 C88 120.5(12) . . ?
C85 C84 C83 119.0(11) . . ?
C85 C84 C88 120.5(11) . . ?
C44 C45 C46 120.5(11) . . ?
C52 C53 C54 122.0(12) . . ?
C8 C7 C6 114.9(12) . . ?
C86 C85 C84 121.1(11) . . ?
O26 C57 C58 118.3(10) . . ?
O25 C57 O26 125.0(10) . . ?
O25 C57 C58 116.7(10) . . ?
C15 C14 C13 113.3(11) . . ?
C24 C23 C22 108.2(14) . . ?
N4 C89 C90 178.3(19) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
