# Electronic Supplementary Material (ESI) for CrystEngComm.
# 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_complex_1
_database_code_depnum_ccdc_archive 'CCDC 2099129'
loop_
_audit_author_name
_audit_author_address
'Hui-Sheng Wang'
;Wuhan Institute of Technology
China
;
_audit_update_record             
;
2021-07-25 deposited with the CCDC.	2022-11-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C102 H102 Co7 Dy N12 O28, 3CH3CN, 15H2O'
_chemical_formula_sum            'C108 H141 Co7 Dy N15 O43'
_chemical_formula_weight         2912.36

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   23.2569(10)
_cell_length_b                   19.2410(8)
_cell_length_c                   28.2143(14)
_cell_angle_alpha                90
_cell_angle_beta                 101.344(2)
_cell_angle_gamma                90
_cell_volume                     12378.9(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9884
_cell_measurement_theta_min      2.9455
_cell_measurement_theta_max      25.3954

_exptl_crystal_description       block
_exptl_crystal_colour            'dark brown'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.563
_exptl_crystal_F_000             5972
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.17
_exptl_absorpt_coefficient_mu    1.599
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6062
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   'SADABS (Bruker, 2014)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'PHOTON 100 CMOS detector'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            67104
_diffrn_reflns_av_unetI/netI     0.0609
_diffrn_reflns_av_R_equivalents  0.0613
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         2.823
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measured_fraction_theta_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_point_group_measured_fraction_full 0.988
_reflns_number_total             21537
_reflns_number_gt                15343
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0129P)²+130.2480P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         21537
_refine_ls_number_parameters     1354
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.1038
_refine_ls_R_factor_gt           0.0648
_refine_ls_wR_factor_ref         0.1420
_refine_ls_wR_factor_gt          0.1294
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_restrained_S_all      1.084
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.56327(2) 0.53549(2) 0.15045(2) 0.01794(8) Uani 1 1 d . . . . .
Co1 Co 0.83350(4) 0.58461(5) 0.15410(3) 0.0193(2) Uani 1 1 d . . . . .
Co2 Co 0.70483(4) 0.56350(5) 0.15141(3) 0.01600(19) Uani 1 1 d . . . . .
Co3 Co 0.59163(4) 0.35414(5) 0.15869(3) 0.0205(2) Uani 1 1 d . . . . .
Co4 Co 0.53231(4) 0.71537(5) 0.13631(3) 0.0205(2) Uani 1 1 d . . . . .
Co5 Co 0.42150(4) 0.50516(5) 0.14665(3) 0.0186(2) Uani 1 1 d . . . . .
Co6 Co 0.29431(4) 0.47982(5) 0.14551(3) 0.0246(2) Uani 1 1 d . . . . .
O1 O 0.9011(2) 0.5654(3) 0.20222(17) 0.0317(12) Uani 1 1 d . . . . .
O2 O 0.76289(19) 0.6012(2) 0.10699(15) 0.0196(10) Uani 1 1 d . . . . .
O3 O 0.71292(19) 0.4624(2) 0.12619(15) 0.0209(10) Uani 1 1 d . . . . .
H3A H 0.6782 0.4464 0.1198 0.031 Uiso 1 1 d R U . . .
O4 O 0.8806(2) 0.6160(3) 0.10998(18) 0.0306(12) Uani 1 1 d . . . . .
O5 O 0.7848(2) 0.5539(2) 0.19735(15) 0.0212(10) Uani 1 1 d . . . . .
O6 O 0.69705(19) 0.6663(2) 0.17498(16) 0.0225(10) Uani 1 1 d . . . . .
H6A H 0.6634 0.6695 0.1823 0.034 Uiso 1 1 d R U . . .
O7 O 0.6297(2) 0.2925(2) 0.12281(18) 0.0274(11) Uani 1 1 d . . . . .
O8 O 0.65177(19) 0.5271(2) 0.19891(14) 0.0168(9) Uani 1 1 d . . . . .
O9 O 0.55518(19) 0.4214(2) 0.19311(15) 0.0222(10) Uani 1 1 d . . . . .
O10 O 0.5751(2) 0.2813(3) 0.19928(18) 0.0324(12) Uani 1 1 d . . . . .
O11 O 0.6045(2) 0.4298(2) 0.11799(16) 0.0225(10) Uani 1 1 d . . . . .
O12 O 0.48283(19) 0.4851(2) 0.10507(15) 0.0181(10) Uani 1 1 d . . . . .
O13 O 0.5597(2) 0.7984(3) 0.16842(18) 0.0306(12) Uani 1 1 d . . . . .
O14 O 0.62544(18) 0.5742(2) 0.10443(14) 0.0159(9) Uani 1 1 d . . . . .
O15 O 0.5063(2) 0.6306(2) 0.10489(15) 0.0197(10) Uani 1 1 d . . . . .
O16 O 0.4756(2) 0.7654(3) 0.08926(18) 0.0302(12) Uani 1 1 d . . . . .
O17 O 0.5856(2) 0.6593(2) 0.18060(16) 0.0237(11) Uani 1 1 d . . . . .
O18 O 0.4923(2) 0.5546(2) 0.19278(14) 0.0202(10) Uani 1 1 d . . . . .
O19 O 0.2287(2) 0.4379(3) 0.10253(18) 0.0323(12) Uani 1 1 d . . . . .
O20 O 0.3586(2) 0.5202(3) 0.18786(16) 0.0287(12) Uani 1 1 d . . . . .
O21 O 0.4434(2) 0.4088(3) 0.18125(17) 0.0281(12) Uani 1 1 d . . . . .
H21A H 0.4805 0.4088 0.1899 0.042 Uiso 1 1 d R U . . .
O22 O 0.2449(2) 0.5023(3) 0.18893(19) 0.0403(14) Uani 1 1 d . . . . .
O23 O 0.3459(2) 0.4599(2) 0.10260(15) 0.0234(10) Uani 1 1 d . . . . .
O24 O 0.40094(19) 0.6002(2) 0.11062(16) 0.0232(10) Uani 1 1 d . . . . .
H24A H 0.4328 0.6146 0.1036 0.035 Uiso 1 1 d R U . . .
N1 N 0.8327(2) 0.4962(3) 0.1232(2) 0.0234(13) Uani 1 1 d . . . . .
N2 N 0.8283(2) 0.6737(3) 0.1834(2) 0.0217(13) Uani 1 1 d . . . . .
N3 N 0.6599(3) 0.3724(3) 0.2061(2) 0.0231(13) Uani 1 1 d . . . . .
N4 N 0.5223(3) 0.3402(3) 0.1106(2) 0.0240(13) Uani 1 1 d . . . . .
N5 N 0.5831(2) 0.7198(3) 0.09165(19) 0.0199(12) Uani 1 1 d . . . . .
N6 N 0.4832(3) 0.7090(3) 0.1824(2) 0.0268(14) Uani 1 1 d . . . . .
N7 N 0.3171(3) 0.3954(3) 0.1799(2) 0.0310(15) Uani 1 1 d . . . . .
N8 N 0.2820(3) 0.5659(3) 0.1113(2) 0.0257(14) Uani 1 1 d . . . . .
C1 C 0.9266(3) 0.5039(4) 0.2097(3) 0.0277(16) Uani 1 1 d . . . . .
C2 C 0.9725(3) 0.4965(5) 0.2518(3) 0.0375(19) Uani 1 1 d . . . . .
H2 H 0.9808 0.5338 0.2741 0.045 Uiso 1 1 calc R U . . .
C3 C 1.0041(4) 0.4368(5) 0.2600(3) 0.046(2) Uani 1 1 d . . . . .
H3 H 1.0344 0.4337 0.2879 0.055 Uiso 1 1 calc R U . . .
C4 C 0.9935(4) 0.3804(5) 0.2290(3) 0.046(2) Uani 1 1 d . . . . .
H4 H 1.0167 0.3395 0.2350 0.055 Uiso 1 1 calc R U . . .
C5 C 0.9483(4) 0.3848(4) 0.1889(3) 0.041(2) Uani 1 1 d . . . . .
H5 H 0.9402 0.3462 0.1676 0.049 Uiso 1 1 calc R U . . .
C6 C 0.9143(3) 0.4454(4) 0.1793(2) 0.0270(16) Uani 1 1 d . . . . .
C7 C 0.8678(3) 0.4459(4) 0.1367(3) 0.0293(17) Uani 1 1 d . . . . .
H7 H 0.8631 0.4053 0.1172 0.035 Uiso 1 1 calc R U . . .
C8 C 0.7874(3) 0.4887(4) 0.0794(3) 0.0245(16) Uani 1 1 d . . . . .
H8 H 0.8060 0.4693 0.0532 0.029 Uiso 1 1 calc R U . . .
C9 C 0.7664(3) 0.5614(4) 0.0652(2) 0.0249(16) Uani 1 1 d . . . . .
H9A H 0.7939 0.5841 0.0473 0.030 Uiso 1 1 calc R U . . .
H9B H 0.7274 0.5594 0.0437 0.030 Uiso 1 1 calc R U . . .
C10 C 0.7394(3) 0.4389(4) 0.0877(3) 0.0307(17) Uani 1 1 d . . . . .
H10A H 0.7091 0.4353 0.0577 0.037 Uiso 1 1 calc R U . . .
H10B H 0.7564 0.3921 0.0954 0.037 Uiso 1 1 calc R U . . .
C11 C 0.8980(3) 0.6793(4) 0.1054(3) 0.0320(18) Uani 1 1 d . . . . .
C12 C 0.9296(4) 0.6934(5) 0.0687(3) 0.046(2) Uani 1 1 d . . . . .
H12 H 0.9362 0.6568 0.0479 0.055 Uiso 1 1 calc R U . . .
C13 C 0.9511(5) 0.7582(6) 0.0620(4) 0.061(3) Uani 1 1 d . . . . .
H13 H 0.9731 0.7656 0.0374 0.073 Uiso 1 1 calc R U . . .
C14 C 0.9406(6) 0.8127(6) 0.0911(4) 0.076(4) Uani 1 1 d . . . . .
H14 H 0.9554 0.8576 0.0864 0.091 Uiso 1 1 calc R U . . .
C15 C 0.9092(5) 0.8021(5) 0.1263(4) 0.064(3) Uani 1 1 d . . . . .
H15 H 0.9024 0.8402 0.1458 0.077 Uiso 1 1 calc R U . . .
C16 C 0.8863(4) 0.7359(4) 0.1347(3) 0.0370(19) Uani 1 1 d . . . . .
C17 C 0.8532(4) 0.7294(4) 0.1730(3) 0.0361(19) Uani 1 1 d . . . . .
H17 H 0.8498 0.7695 0.1918 0.043 Uiso 1 1 calc R U . . .
C18 C 0.7960(3) 0.6733(4) 0.2232(3) 0.0250(16) Uani 1 1 d . . . . .
H18 H 0.8192 0.7007 0.2506 0.030 Uiso 1 1 calc R U . . .
C19 C 0.7954(3) 0.5976(4) 0.2392(2) 0.0247(16) Uani 1 1 d . . . . .
H19A H 0.8336 0.5855 0.2600 0.030 Uiso 1 1 calc R U . . .
H19B H 0.7643 0.5906 0.2582 0.030 Uiso 1 1 calc R U . . .
C20 C 0.7355(3) 0.7063(4) 0.2094(3) 0.0286(17) Uani 1 1 d . . . . .
H20A H 0.7186 0.7116 0.2387 0.034 Uiso 1 1 calc R U . . .
H20B H 0.7395 0.7532 0.1959 0.034 Uiso 1 1 calc R U . . .
C21 C 0.6868(3) 0.2811(4) 0.1301(3) 0.0321(18) Uani 1 1 d . . . . .
C22 C 0.7085(4) 0.2400(5) 0.0957(3) 0.046(2) Uani 1 1 d . . . . .
H22 H 0.6820 0.2223 0.0684 0.055 Uiso 1 1 calc R U . . .
C23 C 0.7672(4) 0.2254(5) 0.1015(4) 0.057(3) Uani 1 1 d . . . . .
H23 H 0.7805 0.1985 0.0776 0.068 Uiso 1 1 calc R U . . .
C24 C 0.8072(4) 0.2485(5) 0.1408(4) 0.049(2) Uani 1 1 d . . . . .
H24 H 0.8476 0.2370 0.1446 0.059 Uiso 1 1 calc R U . . .
C25 C 0.7874(3) 0.2885(4) 0.1742(3) 0.0345(18) Uani 1 1 d . . . . .
H25 H 0.8148 0.3057 0.2011 0.041 Uiso 1 1 calc R U . . .
C26 C 0.7277(3) 0.3053(4) 0.1701(3) 0.0294(17) Uani 1 1 d . . . . .
C27 C 0.7113(3) 0.3486(4) 0.2062(2) 0.0260(16) Uani 1 1 d . . . . .
H27 H 0.7413 0.3610 0.2329 0.031 Uiso 1 1 calc R U . . .
C28 C 0.6492(3) 0.4193(4) 0.2454(2) 0.0241(16) Uani 1 1 d . . . . .
H28 H 0.6680 0.3985 0.2771 0.029 Uiso 1 1 calc R U . . .
C29 C 0.6769(3) 0.4904(4) 0.2407(2) 0.0253(16) Uani 1 1 d . . . . .
H29A H 0.6735 0.5187 0.2693 0.030 Uiso 1 1 calc R U . . .
H29B H 0.7192 0.4838 0.2410 0.030 Uiso 1 1 calc R U . . .
C30 C 0.5838(3) 0.4211(4) 0.2426(2) 0.0272(16) Uani 1 1 d . . . . .
H30A H 0.5714 0.3800 0.2591 0.033 Uiso 1 1 calc R U . . .
H30B H 0.5730 0.4634 0.2589 0.033 Uiso 1 1 calc R U . . .
C31 C 0.5248(3) 0.2475(4) 0.1938(3) 0.0260(16) Uani 1 1 d . . . . .
C32 C 0.5168(4) 0.2003(4) 0.2310(3) 0.038(2) Uani 1 1 d . . . . .
H32 H 0.5475 0.1944 0.2584 0.046 Uiso 1 1 calc R U . . .
C33 C 0.4670(4) 0.1642(5) 0.2284(3) 0.044(2) Uani 1 1 d . . . . .
H33 H 0.4620 0.1359 0.2548 0.053 Uiso 1 1 calc R U . . .
C34 C 0.4226(4) 0.1676(5) 0.1877(3) 0.045(2) Uani 1 1 d . . . . .
H34 H 0.3887 0.1393 0.1852 0.054 Uiso 1 1 calc R U . . .
C35 C 0.4284(4) 0.2119(4) 0.1515(3) 0.040(2) Uani 1 1 d . . . . .
H35 H 0.3974 0.2156 0.1241 0.048 Uiso 1 1 calc R U . . .
C36 C 0.4789(3) 0.2524(4) 0.1534(3) 0.0286(17) Uani 1 1 d . . . . .
C37 C 0.4809(3) 0.2980(4) 0.1136(2) 0.0247(16) Uani 1 1 d . . . . .
H37 H 0.4485 0.2967 0.0872 0.030 Uiso 1 1 calc R U . . .
C38 C 0.5183(3) 0.3843(4) 0.0675(2) 0.0235(15) Uani 1 1 d . . . . .
H38 H 0.5082 0.3543 0.0380 0.028 Uiso 1 1 calc R U . . .
C39 C 0.5788(3) 0.4140(4) 0.0698(2) 0.0229(15) Uani 1 1 d . . . . .
H39A H 0.6035 0.3799 0.0567 0.027 Uiso 1 1 calc R U . . .
H39B H 0.5762 0.4567 0.0499 0.027 Uiso 1 1 calc R U . . .
C40 C 0.4707(3) 0.4389(4) 0.0658(2) 0.0230(15) Uani 1 1 d . . . . .
H40A H 0.4667 0.4656 0.0353 0.028 Uiso 1 1 calc R U . . .
H40B H 0.4328 0.4155 0.0658 0.028 Uiso 1 1 calc R U . . .
C41 C 0.6084(3) 0.8307(3) 0.1642(3) 0.0255(16) Uani 1 1 d . . . . .
C42 C 0.6285(3) 0.8829(4) 0.1985(3) 0.0361(19) Uani 1 1 d . . . . .
H42 H 0.6083 0.8916 0.2241 0.043 Uiso 1 1 calc R U . . .
C43 C 0.6778(3) 0.9216(4) 0.1950(3) 0.037(2) Uani 1 1 d . . . . .
H43 H 0.6908 0.9569 0.2182 0.044 Uiso 1 1 calc R U . . .
C44 C 0.7086(4) 0.9099(4) 0.1583(3) 0.041(2) Uani 1 1 d . . . . .
H44 H 0.7418 0.9375 0.1560 0.049 Uiso 1 1 calc R U . . .
C45 C 0.6903(3) 0.8580(4) 0.1253(3) 0.0353(19) Uani 1 1 d . . . . .
H45 H 0.7117 0.8490 0.1006 0.042 Uiso 1 1 calc R U . . .
C46 C 0.6401(3) 0.8178(4) 0.1279(3) 0.0262(16) Uani 1 1 d . . . . .
C47 C 0.6250(3) 0.7640(4) 0.0922(3) 0.0260(16) Uani 1 1 d . . . . .
H47 H 0.6474 0.7607 0.0675 0.031 Uiso 1 1 calc R U . . .
C48 C 0.5724(3) 0.6657(4) 0.0535(2) 0.0207(15) Uani 1 1 d . . . . .
H48 H 0.5704 0.6883 0.0213 0.025 Uiso 1 1 calc R U . . .
C49 C 0.6227(3) 0.6127(4) 0.0618(2) 0.0246(16) Uani 1 1 d . . . . .
H49A H 0.6174 0.5803 0.0340 0.030 Uiso 1 1 calc R U . . .
H49B H 0.6603 0.6374 0.0633 0.030 Uiso 1 1 calc R U . . .
C50 C 0.5130(3) 0.6343(3) 0.0556(2) 0.0190(14) Uani 1 1 d . . . . .
H50A H 0.4814 0.6632 0.0367 0.023 Uiso 1 1 calc R U . . .
H50B H 0.5101 0.5871 0.0413 0.023 Uiso 1 1 calc R U . . .
C51 C 0.4221(3) 0.7788(4) 0.0931(3) 0.0314(18) Uani 1 1 d . . . . .
C52 C 0.3831(3) 0.8062(5) 0.0517(4) 0.046(2) Uani 1 1 d . . . . .
H52 H 0.3967 0.8127 0.0224 0.055 Uiso 1 1 calc R U . . .
C53 C 0.3255(4) 0.8235(5) 0.0536(4) 0.055(3) Uani 1 1 d . . . . .
H53 H 0.3001 0.8403 0.0254 0.066 Uiso 1 1 calc R U . . .
C54 C 0.3047(4) 0.8169(5) 0.0953(4) 0.058(3) Uani 1 1 d . . . . .
H54 H 0.2658 0.8305 0.0964 0.070 Uiso 1 1 calc R U . . .
C55 C 0.3416(4) 0.7898(5) 0.1367(4) 0.050(2) Uani 1 1 d . . . . .
H55 H 0.3273 0.7851 0.1659 0.060 Uiso 1 1 calc R U . . .
C56 C 0.3993(3) 0.7695(4) 0.1353(3) 0.0304(17) Uani 1 1 d . . . . .
C57 C 0.4319(3) 0.7368(4) 0.1787(3) 0.0329(18) Uani 1 1 d . . . . .
H57 H 0.4143 0.7358 0.2063 0.040 Uiso 1 1 calc R U . . .
C58 C 0.5098(3) 0.6723(4) 0.2273(3) 0.0280(17) Uani 1 1 d . . . . .
H58 H 0.5022 0.6998 0.2555 0.034 Uiso 1 1 calc R U . . .
C59 C 0.5758(3) 0.6714(4) 0.2287(2) 0.0284(17) Uani 1 1 d . . . . .
H59A H 0.5933 0.7164 0.2410 0.034 Uiso 1 1 calc R U . . .
H59B H 0.5945 0.6341 0.2506 0.034 Uiso 1 1 calc R U . . .
C60 C 0.4820(3) 0.6007(4) 0.2283(3) 0.0257(16) Uani 1 1 d . . . . .
H60A H 0.4969 0.5795 0.2603 0.031 Uiso 1 1 calc R U . . .
H60B H 0.4391 0.6067 0.2249 0.031 Uiso 1 1 calc R U . . .
C61 C 0.2229(3) 0.3693(4) 0.0951(3) 0.0347(19) Uani 1 1 d . . . . .
C62 C 0.1798(4) 0.3462(4) 0.0564(3) 0.038(2) Uani 1 1 d . . . . .
H62 H 0.1566 0.3795 0.0363 0.046 Uiso 1 1 calc R U . . .
C63 C 0.1704(4) 0.2771(5) 0.0467(3) 0.051(2) Uani 1 1 d . . . . .
H63 H 0.1414 0.2631 0.0199 0.062 Uiso 1 1 calc R U . . .
C64 C 0.2029(5) 0.2273(5) 0.0758(4) 0.060(3) Uani 1 1 d . . . . .
H64 H 0.1959 0.1792 0.0694 0.072 Uiso 1 1 calc R U . . .
C65 C 0.2453(4) 0.2486(5) 0.1142(3) 0.046(2) Uani 1 1 d . . . . .
H65 H 0.2684 0.2148 0.1338 0.055 Uiso 1 1 calc R U . . .
C66 C 0.2552(4) 0.3188(5) 0.1249(3) 0.040(2) Uani 1 1 d . . . . .
C67 C 0.2996(4) 0.3363(5) 0.1675(3) 0.040(2) Uani 1 1 d . . . . .
H67 H 0.3165 0.2989 0.1875 0.048 Uiso 1 1 calc R U . . .
C68 C 0.3642(3) 0.4062(4) 0.2249(3) 0.0319(18) Uani 1 1 d . . . . .
H68 H 0.3512 0.3832 0.2528 0.038 Uiso 1 1 calc R U . . .
C69 C 0.3671(3) 0.4852(4) 0.2338(2) 0.0320(19) Uani 1 1 d . . . . .
H69A H 0.3363 0.4994 0.2515 0.038 Uiso 1 1 calc R U . . .
H69B H 0.4057 0.4979 0.2536 0.038 Uiso 1 1 calc R U . . .
C70 C 0.4216(3) 0.3755(4) 0.2196(3) 0.0352(19) Uani 1 1 d . . . . .
H70A H 0.4504 0.3811 0.2503 0.042 Uiso 1 1 calc R U . . .
H70B H 0.4167 0.3252 0.2127 0.042 Uiso 1 1 calc R U . . .
C71 C 0.2388(3) 0.5665(5) 0.2021(3) 0.042(2) Uani 1 1 d . . . . .
C72 C 0.2210(4) 0.5779(7) 0.2476(4) 0.068(3) Uani 1 1 d . . . . .
H72 H 0.2167 0.5399 0.2681 0.081 Uiso 1 1 calc R U . . .
C73 C 0.2102(5) 0.6452(8) 0.2608(5) 0.084(4) Uani 1 1 d . U . . .
H73 H 0.1983 0.6520 0.2908 0.101 Uiso 1 1 calc R U . . .
C74 C 0.2155(5) 0.7018(7) 0.2337(5) 0.082(4) Uani 1 1 d . U . . .
H74 H 0.2078 0.7468 0.2448 0.098 Uiso 1 1 calc R U . . .
C75 C 0.2324(4) 0.6932(6) 0.1892(4) 0.060(3) Uani 1 1 d . . . . .
H75 H 0.2354 0.7326 0.1695 0.072 Uiso 1 1 calc R U . . .
C76 C 0.2450(3) 0.6270(5) 0.1734(3) 0.045(2) Uani 1 1 d . . . . .
C77 C 0.2645(3) 0.6220(5) 0.1278(3) 0.042(2) Uani 1 1 d . . . . .
H77 H 0.2642 0.6631 0.1091 0.050 Uiso 1 1 calc R U . . .
C78 C 0.3057(3) 0.5670(4) 0.0662(3) 0.0243(15) Uani 1 1 d . . . . .
H78 H 0.2738 0.5813 0.0387 0.029 Uiso 1 1 calc R U . . .
C79 C 0.3236(3) 0.4924(4) 0.0581(2) 0.0251(16) Uani 1 1 d . . . . .
H79A H 0.2892 0.4662 0.0408 0.030 Uiso 1 1 calc R U . . .
H79B H 0.3539 0.4923 0.0379 0.030 Uiso 1 1 calc R U . . .
C80 C 0.3559(3) 0.6169(4) 0.0699(3) 0.0308(17) Uani 1 1 d . . . . .
H80A H 0.3721 0.6147 0.0400 0.037 Uiso 1 1 calc R U . . .
H80B H 0.3418 0.6648 0.0733 0.037 Uiso 1 1 calc R U . . .
Co7 Co 0.0000 0.5000 0.0000 0.0255(3) Uani 1 2 d S . P . .
O25 O 0.07897(19) 0.4714(3) 0.00529(17) 0.0276(11) Uani 1 1 d . . . . .
O26 O 0.1687(2) 0.5270(3) 0.03473(19) 0.0370(13) Uani 1 1 d . . . . .
H26 H 0.1825 0.5175 0.0638 0.055 Uiso 1 1 d R U . . .
N9 N 0.0266(2) 0.5309(3) 0.0652(2) 0.0278(14) Uani 1 1 d . . . . .
N10 N 0.0281(3) 0.5856(3) -0.0219(2) 0.0310(15) Uani 1 1 d . . . . .
C81 C -0.0046(3) 0.5411(4) 0.1001(3) 0.0361(19) Uani 1 1 d . . . . .
H81 H -0.0458 0.5336 0.0936 0.043 Uiso 1 1 calc R U . . .
C82 C 0.0234(4) 0.5625(5) 0.1452(3) 0.050(3) Uani 1 1 d . . . . .
H82 H 0.0015 0.5710 0.1698 0.061 Uiso 1 1 calc R U . . .
C83 C 0.0823(4) 0.5714(6) 0.1545(3) 0.058(3) Uani 1 1 d . . . . .
H83 H 0.1022 0.5838 0.1860 0.069 Uiso 1 1 calc R U . . .
C84 C 0.1136(4) 0.5625(5) 0.1181(3) 0.048(2) Uani 1 1 d . . . . .
H84 H 0.1546 0.5711 0.1238 0.058 Uiso 1 1 calc R U . . .
C85 C 0.0847(3) 0.5414(4) 0.0743(3) 0.0328(18) Uani 1 1 d . . . . .
C86 C 0.1083(3) 0.5305(4) 0.0279(3) 0.0299(17) Uani 1 1 d . . . . .
C87 C 0.0862(3) 0.5916(4) -0.0042(3) 0.0311(17) Uani 1 1 d . . . . .
C88 C 0.1176(4) 0.6482(5) -0.0165(3) 0.043(2) Uani 1 1 d . . . . .
H88 H 0.1585 0.6521 -0.0045 0.052 Uiso 1 1 calc R U . . .
C89 C 0.0876(4) 0.6990(5) -0.0467(3) 0.050(2) Uani 1 1 d . . . . .
H89 H 0.1080 0.7379 -0.0559 0.060 Uiso 1 1 calc R U . . .
C90 C 0.0281(4) 0.6923(5) -0.0633(3) 0.048(2) Uani 1 1 d . . . . .
H90 H 0.0069 0.7267 -0.0837 0.058 Uiso 1 1 calc R U . . .
C91 C -0.0005(4) 0.6348(5) -0.0497(3) 0.041(2) Uani 1 1 d . . . . .
H91 H -0.0417 0.6306 -0.0606 0.049 Uiso 1 1 calc R U . . .
Co8 Co 0.5000 0.0000 0.0000 0.0246(3) Uani 1 2 d S . P . .
O27 O 0.5079(2) 0.0875(2) -0.02853(17) 0.0298(12) Uani 1 1 d . . . . .
O28 O 0.4947(2) 0.2010(2) -0.00380(18) 0.0329(12) Uani 1 1 d . . . . .
H28A H 0.5042 0.2069 -0.0311 0.049 Uiso 1 1 d R U . . .
N11 N 0.4281(3) 0.0391(3) 0.0120(2) 0.0273(14) Uani 1 1 d . . . . .
N12 N 0.5411(3) 0.0440(3) 0.0583(2) 0.0274(14) Uani 1 1 d . . . . .
C92 C 0.3794(4) 0.0076(4) 0.0179(3) 0.039(2) Uani 1 1 d . . . . .
H92 H 0.3776 -0.0417 0.0176 0.047 Uiso 1 1 calc R U . . .
C93 C 0.3317(4) 0.0453(5) 0.0242(4) 0.056(3) Uani 1 1 d . . . . .
H93 H 0.2967 0.0224 0.0279 0.067 Uiso 1 1 calc R U . . .
C94 C 0.3349(4) 0.1183(5) 0.0253(4) 0.054(3) Uani 1 1 d . . . . .
H94 H 0.3018 0.1451 0.0294 0.065 Uiso 1 1 calc R U . . .
C95 C 0.3865(4) 0.1509(5) 0.0205(3) 0.039(2) Uani 1 1 d . . . . .
H95 H 0.3899 0.2001 0.0220 0.046 Uiso 1 1 calc R U . . .
C96 C 0.4321(3) 0.1106(4) 0.0135(3) 0.0284(17) Uani 1 1 d . . . . .
C97 C 0.4932(3) 0.1323(3) 0.0066(3) 0.0260(16) Uani 1 1 d . . . . .
C98 C 0.5343(3) 0.1144(4) 0.0542(3) 0.0290(17) Uani 1 1 d . . . . .
C99 C 0.5619(3) 0.1575(4) 0.0895(3) 0.0286(17) Uani 1 1 d . . . . .
H99 H 0.5568 0.2064 0.0861 0.034 Uiso 1 1 calc R U . . .
C100 C 0.5973(4) 0.1309(4) 0.1301(3) 0.041(2) Uani 1 1 d . . . . .
H100 H 0.6175 0.1607 0.1547 0.050 Uiso 1 1 calc R U . . .
C101 C 0.6026(4) 0.0594(4) 0.1346(3) 0.043(2) Uani 1 1 d . . . . .
H101 H 0.6252 0.0398 0.1632 0.052 Uiso 1 1 calc R U . . .
C102 C 0.5753(4) 0.0162(4) 0.0976(3) 0.0363(19) Uani 1 1 d . . . . .
H102 H 0.5808 -0.0327 0.1000 0.044 Uiso 1 1 calc R U . . .


_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 O8 2.241(4) . ?
Dy1 O18 2.250(4) . ?
Dy1 O14 2.252(4) . ?
Dy1 O12 2.267(4) . ?
Dy1 O15 2.468(4) . ?
Dy1 O11 2.498(4) . ?
Dy1 O9 2.528(5) . ?
Dy1 O17 2.548(5) . ?
Co1 O1 1.900(5) . ?
Co1 O4 1.910(5) . ?
Co1 N1 1.911(6) . ?
Co1 O5 1.914(5) . ?
Co1 N2 1.917(6) . ?
Co1 O2 1.925(4) . ?
Co2 O5 2.056(4) . ?
Co2 O14 2.060(4) . ?
Co2 O3 2.093(4) . ?
Co2 O6 2.106(5) . ?
Co2 O8 2.112(4) . ?
Co2 O2 2.142(4) . ?
Co3 O7 1.890(5) . ?
Co3 N3 1.897(6) . ?
Co3 O10 1.897(5) . ?
Co3 N4 1.912(6) . ?
Co3 O9 1.913(5) . ?
Co3 O11 1.913(5) . ?
Co4 O13 1.884(5) . ?
Co4 N5 1.891(6) . ?
Co4 N6 1.896(6) . ?
Co4 O15 1.898(4) . ?
Co4 O17 1.912(5) . ?
Co4 O16 1.933(5) . ?
Co5 O12 2.054(5) . ?
Co5 O20 2.060(5) . ?
Co5 O24 2.101(4) . ?
Co5 O21 2.110(5) . ?
Co5 O18 2.113(4) . ?
Co5 O23 2.129(5) . ?
Co5 Co6 2.9920(13) . ?
Co6 O22 1.888(5) . ?
Co6 O20 1.888(5) . ?
Co6 O23 1.903(5) . ?
Co6 N8 1.910(6) . ?
Co6 N7 1.912(6) . ?
Co6 O19 1.930(5) . ?
O1 C1 1.321(9) . ?
O2 C9 1.421(8) . ?
O3 C10 1.424(8) . ?
O3 H3A 0.8499 . ?
O4 C11 1.299(9) . ?
O5 C19 1.431(8) . ?
O6 C20 1.412(8) . ?
O6 H6A 0.8501 . ?
O7 C21 1.320(9) . ?
O8 C29 1.401(7) . ?
O9 C30 1.425(8) . ?
O10 C31 1.320(8) . ?
O11 C39 1.406(8) . ?
O12 C40 1.405(8) . ?
O13 C41 1.318(8) . ?
O14 C49 1.402(8) . ?
O15 C50 1.433(8) . ?
O16 C51 1.296(8) . ?
O17 C59 1.438(8) . ?
O18 C60 1.394(8) . ?
O19 C61 1.338(9) . ?
O20 C69 1.440(8) . ?
O21 C70 1.434(8) . ?
O21 H21A 0.8499 . ?
O22 C71 1.305(11) . ?
O23 C79 1.406(8) . ?
O24 C80 1.431(8) . ?
O24 H24A 0.8497 . ?
N1 C7 1.274(9) . ?
N1 C8 1.465(8) . ?
N2 C17 1.279(10) . ?
N2 C18 1.469(9) . ?
N3 C27 1.278(9) . ?
N3 C28 1.489(9) . ?
N4 C37 1.275(9) . ?
N4 C38 1.470(9) . ?
N5 C47 1.292(9) . ?
N5 C48 1.481(8) . ?
N6 C57 1.293(9) . ?
N6 C58 1.475(9) . ?
N7 C67 1.236(10) . ?
N7 C68 1.518(9) . ?
N8 C77 1.274(10) . ?
N8 C78 1.484(9) . ?
C1 C6 1.410(10) . ?
C1 C2 1.440(10) . ?
C2 C3 1.358(12) . ?
C2 H2 0.9500 . ?
C3 C4 1.387(13) . ?
C3 H3 0.9500 . ?
C4 C5 1.387(12) . ?
C4 H4 0.9500 . ?
C5 C6 1.405(10) . ?
C5 H5 0.9500 . ?
C6 C7 1.451(10) . ?
C7 H7 0.9500 . ?
C8 C9 1.510(10) . ?
C8 C10 1.523(10) . ?
C8 H8 1.0000 . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.409(11) . ?
C11 C16 1.425(12) . ?
C12 C13 1.369(13) . ?
C12 H12 0.9500 . ?
C13 C14 1.382(15) . ?
C13 H13 0.9500 . ?
C14 C15 1.358(14) . ?
C14 H14 0.9500 . ?
C15 C16 1.419(12) . ?
C15 H15 0.9500 . ?
C16 C17 1.450(11) . ?
C17 H17 0.9500 . ?
C18 C20 1.523(10) . ?
C18 C19 1.527(10) . ?
C18 H18 1.0000 . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C26 1.406(10) . ?
C21 C22 1.419(11) . ?
C22 C23 1.371(12) . ?
C22 H22 0.9500 . ?
C23 C24 1.374(13) . ?
C23 H23 0.9500 . ?
C24 C25 1.366(12) . ?
C24 H24 0.9500 . ?
C25 C26 1.407(10) . ?
C25 H25 0.9500 . ?
C26 C27 1.425(10) . ?
C27 H27 0.9500 . ?
C28 C30 1.507(10) . ?
C28 C29 1.529(10) . ?
C28 H28 1.0000 . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C36 1.405(10) . ?
C31 C32 1.427(10) . ?
C32 C33 1.340(11) . ?
C32 H32 0.9500 . ?
C33 C34 1.386(12) . ?
C33 H33 0.9500 . ?
C34 C35 1.358(12) . ?
C34 H34 0.9500 . ?
C35 C36 1.400(10) . ?
C35 H35 0.9500 . ?
C36 C37 1.432(10) . ?
C37 H37 0.9500 . ?
C38 C39 1.509(9) . ?
C38 C40 1.522(9) . ?
C38 H38 1.0000 . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 C46 1.398(10) . ?
C41 C42 1.409(10) . ?
C42 C43 1.387(11) . ?
C42 H42 0.9500 . ?
C43 C44 1.387(12) . ?
C43 H43 0.9500 . ?
C44 C45 1.374(11) . ?
C44 H44 0.9500 . ?
C45 C46 1.414(10) . ?
C45 H45 0.9500 . ?
C46 C47 1.439(10) . ?
C47 H47 0.9500 . ?
C48 C50 1.522(9) . ?
C48 C49 1.534(9) . ?
C48 H48 1.0000 . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C51 C56 1.407(11) . ?
C51 C52 1.432(11) . ?
C52 C53 1.392(12) . ?
C52 H52 0.9500 . ?
C53 C54 1.362(14) . ?
C53 H53 0.9500 . ?
C54 C55 1.406(13) . ?
C54 H54 0.9500 . ?
C55 C56 1.407(11) . ?
C55 H55 0.9500 . ?
C56 C57 1.449(11) . ?
C57 H57 0.9500 . ?
C58 C60 1.525(10) . ?
C58 C59 1.526(10) . ?
C58 H58 1.0000 . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
C60 H60A 0.9900 . ?
C60 H60B 0.9900 . ?
C61 C62 1.401(11) . ?
C61 C66 1.402(11) . ?
C62 C63 1.366(12) . ?
C62 H62 0.9500 . ?
C63 C64 1.386(13) . ?
C63 H63 0.9500 . ?
C64 C65 1.377(12) . ?
C64 H64 0.9500 . ?
C65 C66 1.393(12) . ?
C65 H65 0.9500 . ?
C66 C67 1.462(11) . ?
C67 H67 0.9500 . ?
C68 C70 1.493(11) . ?
C68 C69 1.541(11) . ?
C68 H68 1.0000 . ?
C69 H69A 0.9900 . ?
C69 H69B 0.9900 . ?
C70 H70A 0.9900 . ?
C70 H70B 0.9900 . ?
C71 C76 1.441(13) . ?
C71 C72 1.442(12) . ?
C72 C73 1.384(16) . ?
C72 H72 0.9500 . ?
C73 C74 1.349(18) . ?
C73 H73 0.9500 . ?
C74 C75 1.399(14) . ?
C74 H74 0.9500 . ?
C75 C76 1.400(13) . ?
C75 H75 0.9500 . ?
C76 C77 1.448(12) . ?
C77 H77 0.9500 . ?
C78 C80 1.500(10) . ?
C78 C79 1.524(10) . ?
C78 H78 1.0000 . ?
C79 H79A 0.9900 . ?
C79 H79B 0.9900 . ?
C80 H80A 0.9900 . ?
C80 H80B 0.9900 . ?
Co7 O25 1.895(4) 3_565 ?
Co7 O25 1.895(4) . ?
Co7 N9 1.915(6) 3_565 ?
Co7 N9 1.915(6) . ?
Co7 N10 1.917(6) . ?
Co7 N10 1.918(6) 3_565 ?
O25 C86 1.412(9) . ?
O26 C86 1.382(8) . ?
O26 H26 0.8400 . ?
N9 C85 1.340(9) . ?
N9 C81 1.349(9) . ?
N10 C91 1.324(10) . ?
N10 C87 1.350(9) . ?
C81 C82 1.374(11) . ?
C81 H81 0.9500 . ?
C82 C83 1.356(12) . ?
C82 H82 0.9500 . ?
C83 C84 1.379(11) . ?
C83 H83 0.9500 . ?
C84 C85 1.347(11) . ?
C84 H84 0.9500 . ?
C85 C86 1.533(10) . ?
C86 C87 1.510(11) . ?
C87 C88 1.393(11) . ?
C88 C89 1.390(12) . ?
C88 H88 0.9500 . ?
C89 C90 1.378(13) . ?
C89 H89 0.9500 . ?
C90 C91 1.382(12) . ?
C90 H90 0.9500 . ?
C91 H91 0.9500 . ?
Co8 O27 1.890(5) . ?
Co8 O27 1.890(5) 3_655 ?
Co8 N11 1.923(6) 3_655 ?
Co8 N11 1.923(6) . ?
Co8 N12 1.928(6) . ?
Co8 N12 1.928(6) 3_655 ?
O27 C97 1.407(8) . ?
O28 C97 1.356(8) . ?
O28 H28A 0.8498 . ?
N11 C92 1.324(10) . ?
N11 C96 1.378(9) . ?
N12 C102 1.342(9) . ?
N12 C98 1.367(9) . ?
C92 C93 1.366(12) . ?
C92 H92 0.9500 . ?
C93 C94 1.407(13) . ?
C93 H93 0.9500 . ?
C94 C95 1.384(12) . ?
C94 H94 0.9500 . ?
C95 C96 1.360(11) . ?
C95 H95 0.9500 . ?
C96 C97 1.529(10) . ?
C97 C98 1.526(10) . ?
C98 C99 1.358(10) . ?
C99 C100 1.371(10) . ?
C99 H99 0.9500 . ?
C100 C101 1.384(11) . ?
C100 H100 0.9500 . ?
C101 C102 1.387(11) . ?
C101 H101 0.9500 . ?
C102 H102 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O8 Dy1 O18 111.69(15) . . ?
O8 Dy1 O14 76.04(14) . . ?
O18 Dy1 O14 150.87(16) . . ?
O8 Dy1 O12 150.53(16) . . ?
O18 Dy1 O12 76.08(15) . . ?
O14 Dy1 O12 111.60(15) . . ?
O8 Dy1 O15 134.89(15) . . ?
O18 Dy1 O15 77.31(15) . . ?
O14 Dy1 O15 78.13(15) . . ?
O12 Dy1 O15 73.98(15) . . ?
O8 Dy1 O11 78.05(15) . . ?
O18 Dy1 O11 134.59(16) . . ?
O14 Dy1 O11 73.85(15) . . ?
O12 Dy1 O11 77.16(15) . . ?
O15 Dy1 O11 128.20(14) . . ?
O8 Dy1 O9 78.04(14) . . ?
O18 Dy1 O9 75.99(16) . . ?
O14 Dy1 O9 132.70(15) . . ?
O12 Dy1 O9 76.52(14) . . ?
O15 Dy1 O9 144.02(15) . . ?
O11 Dy1 O9 62.45(15) . . ?
O8 Dy1 O17 76.16(15) . . ?
O18 Dy1 O17 78.06(15) . . ?
O14 Dy1 O17 76.77(15) . . ?
O12 Dy1 O17 132.86(15) . . ?
O15 Dy1 O17 62.23(14) . . ?
O11 Dy1 O17 144.66(15) . . ?
O9 Dy1 O17 133.01(14) . . ?
O1 Co1 O4 91.6(2) . . ?
O1 Co1 N1 94.9(2) . . ?
O4 Co1 N1 86.5(2) . . ?
O1 Co1 O5 89.6(2) . . ?
O4 Co1 O5 178.7(2) . . ?
N1 Co1 O5 93.6(2) . . ?
O1 Co1 N2 88.8(2) . . ?
O4 Co1 N2 95.2(2) . . ?
N1 Co1 N2 175.9(2) . . ?
O5 Co1 N2 84.6(2) . . ?
O1 Co1 O2 177.2(2) . . ?
O4 Co1 O2 91.0(2) . . ?
N1 Co1 O2 84.4(2) . . ?
O5 Co1 O2 87.73(19) . . ?
N2 Co1 O2 91.8(2) . . ?
O5 Co2 O14 178.85(18) . . ?
O5 Co2 O3 90.02(18) . . ?
O14 Co2 O3 90.20(17) . . ?
O5 Co2 O6 90.47(17) . . ?
O14 Co2 O6 89.28(17) . . ?
O3 Co2 O6 178.44(18) . . ?
O5 Co2 O8 98.03(17) . . ?
O14 Co2 O8 83.10(16) . . ?
O3 Co2 O8 90.61(17) . . ?
O6 Co2 O8 90.79(18) . . ?
O5 Co2 O2 78.62(17) . . ?
O14 Co2 O2 100.25(16) . . ?
O3 Co2 O2 90.40(17) . . ?
O6 Co2 O2 88.25(18) . . ?
O8 Co2 O2 176.50(16) . . ?
O7 Co3 N3 94.4(2) . . ?
O7 Co3 O10 91.8(2) . . ?
N3 Co3 O10 87.3(2) . . ?
O7 Co3 N4 87.2(2) . . ?
N3 Co3 N4 177.4(2) . . ?
O10 Co3 N4 94.7(2) . . ?
O7 Co3 O9 176.3(2) . . ?
N3 Co3 O9 84.9(2) . . ?
O10 Co3 O9 91.8(2) . . ?
N4 Co3 O9 93.4(2) . . ?
O7 Co3 O11 90.6(2) . . ?
N3 Co3 O11 94.3(2) . . ?
O10 Co3 O11 177.0(2) . . ?
N4 Co3 O11 83.7(2) . . ?
O9 Co3 O11 85.83(19) . . ?
O13 Co4 N5 95.0(2) . . ?
O13 Co4 N6 85.2(2) . . ?
N5 Co4 N6 178.1(3) . . ?
O13 Co4 O15 178.6(2) . . ?
N5 Co4 O15 84.9(2) . . ?
N6 Co4 O15 94.9(2) . . ?
O13 Co4 O17 92.9(2) . . ?
N5 Co4 O17 92.9(2) . . ?
N6 Co4 O17 85.2(2) . . ?
O15 Co4 O17 85.77(19) . . ?
O13 Co4 O16 91.6(2) . . ?
N5 Co4 O16 87.2(2) . . ?
N6 Co4 O16 94.7(2) . . ?
O15 Co4 O16 89.7(2) . . ?
O17 Co4 O16 175.4(2) . . ?
O12 Co5 O20 177.1(2) . . ?
O12 Co5 O24 90.29(18) . . ?
O20 Co5 O24 91.8(2) . . ?
O12 Co5 O21 88.13(18) . . ?
O20 Co5 O21 89.7(2) . . ?
O24 Co5 O21 178.4(2) . . ?
O12 Co5 O18 83.81(16) . . ?
O20 Co5 O18 98.21(18) . . ?
O24 Co5 O18 88.98(17) . . ?
O21 Co5 O18 91.28(18) . . ?
O12 Co5 O23 100.15(17) . . ?
O20 Co5 O23 77.90(18) . . ?
O24 Co5 O23 89.43(17) . . ?
O21 Co5 O23 90.42(18) . . ?
O18 Co5 O23 175.74(18) . . ?
O12 Co5 Co6 139.41(12) . . ?
O20 Co5 Co6 38.63(13) . . ?
O24 Co5 Co6 90.35(13) . . ?
O21 Co5 Co6 90.56(13) . . ?
O18 Co5 Co6 136.78(12) . . ?
O23 Co5 Co6 39.28(12) . . ?
O22 Co6 O20 90.1(2) . . ?
O22 Co6 O23 177.9(2) . . ?
O20 Co6 O23 88.0(2) . . ?
O22 Co6 N8 94.5(3) . . ?
O20 Co6 N8 89.1(2) . . ?
O23 Co6 N8 84.5(2) . . ?
O22 Co6 N7 90.5(3) . . ?
O20 Co6 N7 85.5(2) . . ?
O23 Co6 N7 90.3(2) . . ?
N8 Co6 N7 172.6(3) . . ?
O22 Co6 O19 89.8(2) . . ?
O20 Co6 O19 179.5(2) . . ?
O23 Co6 O19 92.0(2) . . ?
N8 Co6 O19 91.4(2) . . ?
N7 Co6 O19 94.0(2) . . ?
O22 Co6 Co5 133.04(17) . . ?
O20 Co6 Co5 42.93(15) . . ?
O23 Co6 Co5 45.10(14) . . ?
N8 Co6 Co5 85.02(18) . . ?
N7 Co6 Co5 87.58(18) . . ?
O19 Co6 Co5 137.14(16) . . ?
C1 O1 Co1 124.8(5) . . ?
C9 O2 Co1 107.6(4) . . ?
C9 O2 Co2 116.7(4) . . ?
Co1 O2 Co2 95.17(18) . . ?
C10 O3 Co2 129.5(4) . . ?
C10 O3 H3A 105.0 . . ?
Co2 O3 H3A 105.3 . . ?
C11 O4 Co1 126.3(5) . . ?
C19 O5 Co1 108.6(4) . . ?
C19 O5 Co2 117.1(4) . . ?
Co1 O5 Co2 98.38(19) . . ?
C20 O6 Co2 130.3(4) . . ?
C20 O6 H6A 106.5 . . ?
Co2 O6 H6A 106.6 . . ?
C21 O7 Co3 125.7(5) . . ?
C29 O8 Co2 120.2(4) . . ?
C29 O8 Dy1 137.0(4) . . ?
Co2 O8 Dy1 99.81(16) . . ?
C30 O9 Co3 109.1(4) . . ?
C30 O9 Dy1 113.9(4) . . ?
Co3 O9 Dy1 105.29(19) . . ?
C31 O10 Co3 125.0(4) . . ?
C39 O11 Co3 109.2(4) . . ?
C39 O11 Dy1 114.2(4) . . ?
Co3 O11 Dy1 106.4(2) . . ?
C40 O12 Co5 121.0(4) . . ?
C40 O12 Dy1 137.0(4) . . ?
Co5 O12 Dy1 100.69(17) . . ?
C41 O13 Co4 124.8(5) . . ?
C49 O14 Co2 119.3(4) . . ?
C49 O14 Dy1 137.9(4) . . ?
Co2 O14 Dy1 101.05(16) . . ?
C50 O15 Co4 109.0(4) . . ?
C50 O15 Dy1 113.1(4) . . ?
Co4 O15 Dy1 107.73(19) . . ?
C51 O16 Co4 125.3(5) . . ?
C59 O17 Co4 108.8(4) . . ?
C59 O17 Dy1 114.0(4) . . ?
Co4 O17 Dy1 104.26(19) . . ?
C60 O18 Co5 120.4(4) . . ?
C60 O18 Dy1 137.1(4) . . ?
Co5 O18 Dy1 99.42(16) . . ?
C61 O19 Co6 123.6(5) . . ?
C69 O20 Co6 109.2(4) . . ?
C69 O20 Co5 117.1(4) . . ?
Co6 O20 Co5 98.4(2) . . ?
C70 O21 Co5 130.8(5) . . ?
C70 O21 H21A 105.8 . . ?
Co5 O21 H21A 105.9 . . ?
C71 O22 Co6 121.0(5) . . ?
C79 O23 Co6 108.1(4) . . ?
C79 O23 Co5 117.1(4) . . ?
Co6 O23 Co5 95.63(19) . . ?
C80 O24 Co5 130.2(4) . . ?
C80 O24 H24A 105.9 . . ?
Co5 O24 H24A 105.8 . . ?
C7 N1 C8 119.3(6) . . ?
C7 N1 Co1 126.3(5) . . ?
C8 N1 Co1 114.4(4) . . ?
C17 N2 C18 120.1(6) . . ?
C17 N2 Co1 125.5(5) . . ?
C18 N2 Co1 114.2(4) . . ?
C27 N3 C28 120.5(6) . . ?
C27 N3 Co3 126.1(5) . . ?
C28 N3 Co3 113.4(4) . . ?
C37 N4 C38 119.9(6) . . ?
C37 N4 Co3 125.7(5) . . ?
C38 N4 Co3 114.4(4) . . ?
C47 N5 C48 119.3(6) . . ?
C47 N5 Co4 126.2(5) . . ?
C48 N5 Co4 114.5(4) . . ?
C57 N6 C58 119.6(6) . . ?
C57 N6 Co4 126.0(5) . . ?
C58 N6 Co4 114.3(5) . . ?
C67 N7 C68 120.4(7) . . ?
C67 N7 Co6 126.5(5) . . ?
C68 N7 Co6 113.0(5) . . ?
C77 N8 C78 120.1(7) . . ?
C77 N8 Co6 125.3(6) . . ?
C78 N8 Co6 113.7(4) . . ?
O1 C1 C6 126.0(6) . . ?
O1 C1 C2 117.3(7) . . ?
C6 C1 C2 116.7(7) . . ?
C3 C2 C1 120.9(8) . . ?
C3 C2 H2 119.5 . . ?
C1 C2 H2 119.5 . . ?
C2 C3 C4 122.1(8) . . ?
C2 C3 H3 118.9 . . ?
C4 C3 H3 118.9 . . ?
C5 C4 C3 118.6(8) . . ?
C5 C4 H4 120.7 . . ?
C3 C4 H4 120.7 . . ?
C4 C5 C6 121.0(8) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 H5 119.5 . . ?
C5 C6 C1 120.5(7) . . ?
C5 C6 C7 117.7(7) . . ?
C1 C6 C7 121.8(7) . . ?
N1 C7 C6 125.6(7) . . ?
N1 C7 H7 117.2 . . ?
C6 C7 H7 117.2 . . ?
N1 C8 C9 105.9(5) . . ?
N1 C8 C10 111.1(6) . . ?
C9 C8 C10 114.5(6) . . ?
N1 C8 H8 108.4 . . ?
C9 C8 H8 108.4 . . ?
C10 C8 H8 108.4 . . ?
O2 C9 C8 110.4(5) . . ?
O2 C9 H9A 109.6 . . ?
C8 C9 H9A 109.6 . . ?
O2 C9 H9B 109.6 . . ?
C8 C9 H9B 109.6 . . ?
H9A C9 H9B 108.1 . . ?
O3 C10 C8 111.0(6) . . ?
O3 C10 H10A 109.4 . . ?
C8 C10 H10A 109.4 . . ?
O3 C10 H10B 109.4 . . ?
C8 C10 H10B 109.4 . . ?
H10A C10 H10B 108.0 . . ?
O4 C11 C12 118.2(8) . . ?
O4 C11 C16 124.0(7) . . ?
C12 C11 C16 117.8(8) . . ?
C13 C12 C11 122.3(10) . . ?
C13 C12 H12 118.8 . . ?
C11 C12 H12 118.8 . . ?
C12 C13 C14 119.8(10) . . ?
C12 C13 H13 120.1 . . ?
C14 C13 H13 120.1 . . ?
C15 C14 C13 120.2(10) . . ?
C15 C14 H14 119.9 . . ?
C13 C14 H14 119.9 . . ?
C14 C15 C16 122.1(10) . . ?
C14 C15 H15 119.0 . . ?
C16 C15 H15 119.0 . . ?
C15 C16 C11 117.8(8) . . ?
C15 C16 C17 118.3(8) . . ?
C11 C16 C17 123.8(7) . . ?
N2 C17 C16 125.0(7) . . ?
N2 C17 H17 117.5 . . ?
C16 C17 H17 117.5 . . ?
N2 C18 C20 112.8(6) . . ?
N2 C18 C19 105.5(5) . . ?
C20 C18 C19 114.3(6) . . ?
N2 C18 H18 108.0 . . ?
C20 C18 H18 108.0 . . ?
C19 C18 H18 108.0 . . ?
O5 C19 C18 109.0(5) . . ?
O5 C19 H19A 109.9 . . ?
C18 C19 H19A 109.9 . . ?
O5 C19 H19B 109.9 . . ?
C18 C19 H19B 109.9 . . ?
H19A C19 H19B 108.3 . . ?
O6 C20 C18 112.2(6) . . ?
O6 C20 H20A 109.2 . . ?
C18 C20 H20A 109.2 . . ?
O6 C20 H20B 109.2 . . ?
C18 C20 H20B 109.2 . . ?
H20A C20 H20B 107.9 . . ?
O7 C21 C26 124.8(7) . . ?
O7 C21 C22 117.9(7) . . ?
C26 C21 C22 117.3(7) . . ?
C23 C22 C21 120.9(8) . . ?
C23 C22 H22 119.6 . . ?
C21 C22 H22 119.6 . . ?
C22 C23 C24 122.0(9) . . ?
C22 C23 H23 119.0 . . ?
C24 C23 H23 119.0 . . ?
C25 C24 C23 118.2(8) . . ?
C25 C24 H24 120.9 . . ?
C23 C24 H24 120.9 . . ?
C24 C25 C26 122.4(8) . . ?
C24 C25 H25 118.8 . . ?
C26 C25 H25 118.8 . . ?
C21 C26 C25 119.3(7) . . ?
C21 C26 C27 122.3(7) . . ?
C25 C26 C27 118.3(7) . . ?
N3 C27 C26 126.0(6) . . ?
N3 C27 H27 117.0 . . ?
C26 C27 H27 117.0 . . ?
N3 C28 C30 107.0(5) . . ?
N3 C28 C29 110.0(6) . . ?
C30 C28 C29 114.4(6) . . ?
N3 C28 H28 108.4 . . ?
C30 C28 H28 108.4 . . ?
C29 C28 H28 108.4 . . ?
O8 C29 C28 114.3(5) . . ?
O8 C29 H29A 108.7 . . ?
C28 C29 H29A 108.7 . . ?
O8 C29 H29B 108.7 . . ?
C28 C29 H29B 108.7 . . ?
H29A C29 H29B 107.6 . . ?
O9 C30 C28 108.8(6) . . ?
O9 C30 H30A 109.9 . . ?
C28 C30 H30A 109.9 . . ?
O9 C30 H30B 109.9 . . ?
C28 C30 H30B 109.9 . . ?
H30A C30 H30B 108.3 . . ?
O10 C31 C36 125.2(6) . . ?
O10 C31 C32 117.9(6) . . ?
C36 C31 C32 116.9(7) . . ?
C33 C32 C31 121.7(7) . . ?
C33 C32 H32 119.2 . . ?
C31 C32 H32 119.2 . . ?
C32 C33 C34 121.1(8) . . ?
C32 C33 H33 119.4 . . ?
C34 C33 H33 119.4 . . ?
C35 C34 C33 119.0(8) . . ?
C35 C34 H34 120.5 . . ?
C33 C34 H34 120.5 . . ?
C34 C35 C36 121.8(8) . . ?
C34 C35 H35 119.1 . . ?
C36 C35 H35 119.1 . . ?
C35 C36 C31 119.4(7) . . ?
C35 C36 C37 117.9(7) . . ?
C31 C36 C37 122.7(7) . . ?
N4 C37 C36 125.8(6) . . ?
N4 C37 H37 117.1 . . ?
C36 C37 H37 117.1 . . ?
N4 C38 C39 106.1(5) . . ?
N4 C38 C40 110.6(6) . . ?
C39 C38 C40 114.0(6) . . ?
N4 C38 H38 108.7 . . ?
C39 C38 H38 108.7 . . ?
C40 C38 H38 108.7 . . ?
O11 C39 C38 109.8(5) . . ?
O11 C39 H39A 109.7 . . ?
C38 C39 H39A 109.7 . . ?
O11 C39 H39B 109.7 . . ?
C38 C39 H39B 109.7 . . ?
H39A C39 H39B 108.2 . . ?
O12 C40 C38 112.3(5) . . ?
O12 C40 H40A 109.1 . . ?
C38 C40 H40A 109.1 . . ?
O12 C40 H40B 109.1 . . ?
C38 C40 H40B 109.1 . . ?
H40A C40 H40B 107.9 . . ?
O13 C41 C46 124.8(6) . . ?
O13 C41 C42 116.7(7) . . ?
C46 C41 C42 118.5(7) . . ?
C43 C42 C41 120.1(8) . . ?
C43 C42 H42 120.0 . . ?
C41 C42 H42 120.0 . . ?
C42 C43 C44 121.5(8) . . ?
C42 C43 H43 119.3 . . ?
C44 C43 H43 119.3 . . ?
C45 C44 C43 119.1(8) . . ?
C45 C44 H44 120.4 . . ?
C43 C44 H44 120.4 . . ?
C44 C45 C46 120.7(8) . . ?
C44 C45 H45 119.6 . . ?
C46 C45 H45 119.6 . . ?
C41 C46 C45 120.1(7) . . ?
C41 C46 C47 123.2(7) . . ?
C45 C46 C47 116.7(7) . . ?
N5 C47 C46 124.3(7) . . ?
N5 C47 H47 117.9 . . ?
C46 C47 H47 117.9 . . ?
N5 C48 C50 106.0(5) . . ?
N5 C48 C49 110.1(5) . . ?
C50 C48 C49 113.5(6) . . ?
N5 C48 H48 109.0 . . ?
C50 C48 H48 109.0 . . ?
C49 C48 H48 109.0 . . ?
O14 C49 C48 112.8(5) . . ?
O14 C49 H49A 109.0 . . ?
C48 C49 H49A 109.0 . . ?
O14 C49 H49B 109.0 . . ?
C48 C49 H49B 109.0 . . ?
H49A C49 H49B 107.8 . . ?
O15 C50 C48 109.2(5) . . ?
O15 C50 H50A 109.8 . . ?
C48 C50 H50A 109.8 . . ?
O15 C50 H50B 109.8 . . ?
C48 C50 H50B 109.8 . . ?
H50A C50 H50B 108.3 . . ?
O16 C51 C56 125.0(7) . . ?
O16 C51 C52 118.0(7) . . ?
C56 C51 C52 117.0(7) . . ?
C53 C52 C51 121.1(9) . . ?
C53 C52 H52 119.4 . . ?
C51 C52 H52 119.4 . . ?
C54 C53 C52 121.2(9) . . ?
C54 C53 H53 119.4 . . ?
C52 C53 H53 119.4 . . ?
C53 C54 C55 119.4(9) . . ?
C53 C54 H54 120.3 . . ?
C55 C54 H54 120.3 . . ?
C54 C55 C56 120.6(9) . . ?
C54 C55 H55 119.7 . . ?
C56 C55 H55 119.7 . . ?
C55 C56 C51 120.6(8) . . ?
C55 C56 C57 116.1(8) . . ?
C51 C56 C57 123.2(7) . . ?
N6 C57 C56 124.8(7) . . ?
N6 C57 H57 117.6 . . ?
C56 C57 H57 117.6 . . ?
N6 C58 C60 109.9(6) . . ?
N6 C58 C59 106.2(6) . . ?
C60 C58 C59 114.6(6) . . ?
N6 C58 H58 108.7 . . ?
C60 C58 H58 108.7 . . ?
C59 C58 H58 108.7 . . ?
O17 C59 C58 108.9(5) . . ?
O17 C59 H59A 109.9 . . ?
C58 C59 H59A 109.9 . . ?
O17 C59 H59B 109.9 . . ?
C58 C59 H59B 109.9 . . ?
H59A C59 H59B 108.3 . . ?
O18 C60 C58 115.4(6) . . ?
O18 C60 H60A 108.4 . . ?
C58 C60 H60A 108.4 . . ?
O18 C60 H60B 108.4 . . ?
C58 C60 H60B 108.4 . . ?
H60A C60 H60B 107.5 . . ?
O19 C61 C62 118.0(7) . . ?
O19 C61 C66 124.3(7) . . ?
C62 C61 C66 117.6(8) . . ?
C63 C62 C61 121.8(8) . . ?
C63 C62 H62 119.1 . . ?
C61 C62 H62 119.1 . . ?
C62 C63 C64 120.5(9) . . ?
C62 C63 H63 119.7 . . ?
C64 C63 H63 119.7 . . ?
C65 C64 C63 118.9(9) . . ?
C65 C64 H64 120.6 . . ?
C63 C64 H64 120.6 . . ?
C64 C65 C66 121.4(9) . . ?
C64 C65 H65 119.3 . . ?
C66 C65 H65 119.3 . . ?
C65 C66 C61 119.8(8) . . ?
C65 C66 C67 117.4(8) . . ?
C61 C66 C67 122.8(8) . . ?
N7 C67 C66 125.8(8) . . ?
N7 C67 H67 117.1 . . ?
C66 C67 H67 117.1 . . ?
C70 C68 N7 112.1(6) . . ?
C70 C68 C69 113.3(6) . . ?
N7 C68 C69 105.8(6) . . ?
C70 C68 H68 108.5 . . ?
N7 C68 H68 108.5 . . ?
C69 C68 H68 108.5 . . ?
O20 C69 C68 108.7(6) . . ?
O20 C69 H69A 110.0 . . ?
C68 C69 H69A 110.0 . . ?
O20 C69 H69B 110.0 . . ?
C68 C69 H69B 110.0 . . ?
H69A C69 H69B 108.3 . . ?
O21 C70 C68 110.7(6) . . ?
O21 C70 H70A 109.5 . . ?
C68 C70 H70A 109.5 . . ?
O21 C70 H70B 109.5 . . ?
C68 C70 H70B 109.5 . . ?
H70A C70 H70B 108.1 . . ?
O22 C71 C76 125.2(8) . . ?
O22 C71 C72 117.5(9) . . ?
C76 C71 C72 117.1(9) . . ?
C73 C72 C71 118.7(12) . . ?
C73 C72 H72 120.6 . . ?
C71 C72 H72 120.6 . . ?
C74 C73 C72 124.1(11) . . ?
C74 C73 H73 117.9 . . ?
C72 C73 H73 117.9 . . ?
C73 C74 C75 119.1(11) . . ?
C73 C74 H74 120.4 . . ?
C75 C74 H74 120.4 . . ?
C74 C75 C76 120.5(11) . . ?
C74 C75 H75 119.8 . . ?
C76 C75 H75 119.8 . . ?
C75 C76 C71 120.4(9) . . ?
C75 C76 C77 117.7(9) . . ?
C71 C76 C77 121.9(8) . . ?
N8 C77 C76 124.0(9) . . ?
N8 C77 H77 118.0 . . ?
C76 C77 H77 118.0 . . ?
N8 C78 C80 111.4(6) . . ?
N8 C78 C79 105.8(6) . . ?
C80 C78 C79 112.3(6) . . ?
N8 C78 H78 109.1 . . ?
C80 C78 H78 109.1 . . ?
C79 C78 H78 109.1 . . ?
O23 C79 C78 110.5(5) . . ?
O23 C79 H79A 109.6 . . ?
C78 C79 H79A 109.6 . . ?
O23 C79 H79B 109.6 . . ?
C78 C79 H79B 109.6 . . ?
H79A C79 H79B 108.1 . . ?
O24 C80 C78 110.4(6) . . ?
O24 C80 H80A 109.6 . . ?
C78 C80 H80A 109.6 . . ?
O24 C80 H80B 109.6 . . ?
C78 C80 H80B 109.6 . . ?
H80A C80 H80B 108.1 . . ?
O25 Co7 O25 180.0 3_565 . ?
O25 Co7 N9 83.6(2) 3_565 3_565 ?
O25 Co7 N9 96.3(2) . 3_565 ?
O25 Co7 N9 96.4(2) 3_565 . ?
O25 Co7 N9 83.6(2) . . ?
N9 Co7 N9 180.0 3_565 . ?
O25 Co7 N10 96.4(2) 3_565 . ?
O25 Co7 N10 83.6(2) . . ?
N9 Co7 N10 91.4(3) 3_565 . ?
N9 Co7 N10 88.6(3) . . ?
O25 Co7 N10 83.6(2) 3_565 3_565 ?
O25 Co7 N10 96.4(2) . 3_565 ?
N9 Co7 N10 88.6(3) 3_565 3_565 ?
N9 Co7 N10 91.4(3) . 3_565 ?
N10 Co7 N10 180.0 . 3_565 ?
C86 O25 Co7 100.2(4) . . ?
C86 O26 H26 109.3 . . ?
C85 N9 C81 120.2(6) . . ?
C85 N9 Co7 110.8(5) . . ?
C81 N9 Co7 128.9(5) . . ?
C91 N10 C87 120.5(7) . . ?
C91 N10 Co7 130.0(6) . . ?
C87 N10 Co7 109.5(5) . . ?
N9 C81 C82 119.8(7) . . ?
N9 C81 H81 120.1 . . ?
C82 C81 H81 120.1 . . ?
C83 C82 C81 119.5(8) . . ?
C83 C82 H82 120.3 . . ?
C81 C82 H82 120.3 . . ?
C82 C83 C84 120.2(8) . . ?
C82 C83 H83 119.9 . . ?
C84 C83 H83 119.9 . . ?
C85 C84 C83 118.6(8) . . ?
C85 C84 H84 120.7 . . ?
C83 C84 H84 120.7 . . ?
N9 C85 C84 121.7(7) . . ?
N9 C85 C86 109.4(6) . . ?
C84 C85 C86 128.9(7) . . ?
O26 C86 O25 114.3(6) . . ?
O26 C86 C87 109.9(6) . . ?
O25 C86 C87 106.2(5) . . ?
O26 C86 C85 114.3(6) . . ?
O25 C86 C85 105.8(6) . . ?
C87 C86 C85 105.6(6) . . ?
N10 C87 C88 120.7(8) . . ?
N10 C87 C86 110.7(7) . . ?
C88 C87 C86 128.6(7) . . ?
C89 C88 C87 118.6(8) . . ?
C89 C88 H88 120.7 . . ?
C87 C88 H88 120.7 . . ?
C90 C89 C88 119.4(9) . . ?
C90 C89 H89 120.3 . . ?
C88 C89 H89 120.3 . . ?
C89 C90 C91 119.2(9) . . ?
C89 C90 H90 120.4 . . ?
C91 C90 H90 120.4 . . ?
N10 C91 C90 121.6(8) . . ?
N10 C91 H91 119.2 . . ?
C90 C91 H91 119.2 . . ?
O27 Co8 O27 180.0 . 3_655 ?
O27 Co8 N11 96.5(2) . 3_655 ?
O27 Co8 N11 83.5(2) 3_655 3_655 ?
O27 Co8 N11 83.5(2) . . ?
O27 Co8 N11 96.5(2) 3_655 . ?
N11 Co8 N11 180.0 3_655 . ?
O27 Co8 N12 84.2(2) . . ?
O27 Co8 N12 95.8(2) 3_655 . ?
N11 Co8 N12 91.1(3) 3_655 . ?
N11 Co8 N12 88.9(3) . . ?
O27 Co8 N12 95.8(2) . 3_655 ?
O27 Co8 N12 84.2(2) 3_655 3_655 ?
N11 Co8 N12 88.9(3) 3_655 3_655 ?
N11 Co8 N12 91.1(3) . 3_655 ?
N12 Co8 N12 180.0 . 3_655 ?
C97 O27 Co8 100.9(4) . . ?
C97 O28 H28A 110.4 . . ?
C92 N11 C96 120.5(7) . . ?
C92 N11 Co8 129.6(5) . . ?
C96 N11 Co8 109.9(5) . . ?
C102 N12 C98 120.4(6) . . ?
C102 N12 Co8 130.1(5) . . ?
C98 N12 Co8 109.4(4) . . ?
N11 C92 C93 120.6(8) . . ?
N11 C92 H92 119.7 . . ?
C93 C92 H92 119.7 . . ?
C92 C93 C94 119.6(9) . . ?
C92 C93 H93 120.2 . . ?
C94 C93 H93 120.2 . . ?
C95 C94 C93 119.5(8) . . ?
C95 C94 H94 120.3 . . ?
C93 C94 H94 120.3 . . ?
C96 C95 C94 118.2(8) . . ?
C96 C95 H95 120.9 . . ?
C94 C95 H95 120.9 . . ?
C95 C96 N11 121.6(7) . . ?
C95 C96 C97 129.3(7) . . ?
N11 C96 C97 109.1(6) . . ?
O28 C97 O27 115.2(6) . . ?
O28 C97 C98 111.8(6) . . ?
O27 C97 C98 106.4(6) . . ?
O28 C97 C96 111.0(6) . . ?
O27 C97 C96 106.4(6) . . ?
C98 C97 C96 105.3(6) . . ?
C99 C98 N12 120.8(7) . . ?
C99 C98 C97 129.2(7) . . ?
N12 C98 C97 109.9(6) . . ?
C98 C99 C100 120.3(7) . . ?
C98 C99 H99 119.8 . . ?
C100 C99 H99 119.8 . . ?
C99 C100 C101 118.4(7) . . ?
C99 C100 H100 120.8 . . ?
C101 C100 H100 120.8 . . ?
C100 C101 C102 120.5(7) . . ?
C100 C101 H101 119.7 . . ?
C102 C101 H101 119.7 . . ?
N12 C102 C101 119.4(7) . . ?
N12 C102 H102 120.3 . . ?
C101 C102 H102 120.3 . . ?

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
N3 Co3 O7 C21 -8.4(6) . . . . ?
O10 Co3 O7 C21 -95.8(6) . . . . ?
N4 Co3 O7 C21 169.5(6) . . . . ?
O11 Co3 O7 C21 85.9(6) . . . . ?
O7 Co3 O10 C31 -97.6(6) . . . . ?
N3 Co3 O10 C31 168.0(6) . . . . ?
N4 Co3 O10 C31 -10.3(6) . . . . ?
O9 Co3 O10 C31 83.3(6) . . . . ?
N5 Co4 O13 C41 -14.6(6) . . . . ?
N6 Co4 O13 C41 163.5(6) . . . . ?
O17 Co4 O13 C41 78.6(6) . . . . ?
O16 Co4 O13 C41 -102.0(6) . . . . ?
N5 Co4 O15 C50 -29.1(4) . . . . ?
N6 Co4 O15 C50 152.7(4) . . . . ?
O17 Co4 O15 C50 -122.5(4) . . . . ?
O16 Co4 O15 C50 58.1(4) . . . . ?
N5 Co4 O15 Dy1 94.0(2) . . . . ?
N6 Co4 O15 Dy1 -84.2(2) . . . . ?
O17 Co4 O15 Dy1 0.6(2) . . . . ?
O16 Co4 O15 Dy1 -178.8(2) . . . . ?
O22 Co6 O20 C69 59.1(5) . . . . ?
O23 Co6 O20 C69 -121.9(5) . . . . ?
N8 Co6 O20 C69 153.7(5) . . . . ?
N7 Co6 O20 C69 -31.4(5) . . . . ?
Co5 Co6 O20 C69 -122.7(5) . . . . ?
O22 Co6 O20 Co5 -178.2(3) . . . . ?
O23 Co6 O20 Co5 0.8(2) . . . . ?
N8 Co6 O20 Co5 -83.7(2) . . . . ?
N7 Co6 O20 Co5 91.3(3) . . . . ?
O20 Co6 O22 C71 58.0(6) . . . . ?
N8 Co6 O22 C71 -31.1(6) . . . . ?
N7 Co6 O22 C71 143.5(6) . . . . ?
O19 Co6 O22 C71 -122.5(6) . . . . ?
Co5 Co6 O22 C71 56.3(7) . . . . ?
O7 Co3 N3 C27 2.8(6) . . . . ?
O10 Co3 N3 C27 94.4(6) . . . . ?
O9 Co3 N3 C27 -173.6(6) . . . . ?
O11 Co3 N3 C27 -88.1(6) . . . . ?
O7 Co3 N3 C28 -177.4(4) . . . . ?
O10 Co3 N3 C28 -85.8(5) . . . . ?
O9 Co3 N3 C28 6.2(4) . . . . ?
O11 Co3 N3 C28 91.6(4) . . . . ?
O13 Co4 N5 C47 7.3(6) . . . . ?
O15 Co4 N5 C47 -171.4(6) . . . . ?
O17 Co4 N5 C47 -85.9(6) . . . . ?
O16 Co4 N5 C47 98.7(6) . . . . ?
O13 Co4 N5 C48 -173.6(4) . . . . ?
O15 Co4 N5 C48 7.7(4) . . . . ?
O17 Co4 N5 C48 93.2(4) . . . . ?
O16 Co4 N5 C48 -82.2(4) . . . . ?
O13 Co4 N6 C57 86.9(6) . . . . ?
O15 Co4 N6 C57 -94.5(6) . . . . ?
O17 Co4 N6 C57 -179.8(6) . . . . ?
O16 Co4 N6 C57 -4.4(6) . . . . ?
O13 Co4 N6 C58 -88.9(5) . . . . ?
O15 Co4 N6 C58 89.7(5) . . . . ?
O17 Co4 N6 C58 4.4(5) . . . . ?
O16 Co4 N6 C58 179.9(5) . . . . ?
Co1 O1 C1 C6 10.5(10) . . . . ?
Co1 O1 C1 C2 -171.8(5) . . . . ?
O1 C1 C2 C3 -174.7(7) . . . . ?
C6 C1 C2 C3 3.3(11) . . . . ?
C1 C2 C3 C4 -0.7(13) . . . . ?
C2 C3 C4 C5 -1.5(14) . . . . ?
C3 C4 C5 C6 1.0(13) . . . . ?
C4 C5 C6 C1 1.7(12) . . . . ?
C4 C5 C6 C7 -179.9(8) . . . . ?
O1 C1 C6 C5 174.1(7) . . . . ?
C2 C1 C6 C5 -3.7(11) . . . . ?
O1 C1 C6 C7 -4.3(11) . . . . ?
C2 C1 C6 C7 177.9(7) . . . . ?
C8 N1 C7 C6 -179.4(6) . . . . ?
Co1 N1 C7 C6 2.0(11) . . . . ?
C5 C6 C7 N1 179.1(7) . . . . ?
C1 C6 C7 N1 -2.5(12) . . . . ?
C7 N1 C8 C9 -163.3(6) . . . . ?
Co1 N1 C8 C9 15.5(6) . . . . ?
C7 N1 C8 C10 71.8(8) . . . . ?
Co1 N1 C8 C10 -109.4(6) . . . . ?
Co1 O2 C9 C8 45.2(6) . . . . ?
Co2 O2 C9 C8 -60.1(6) . . . . ?
N1 C8 C9 O2 -39.3(7) . . . . ?
C10 C8 C9 O2 83.5(7) . . . . ?
Co2 O3 C10 C8 27.1(8) . . . . ?
N1 C8 C10 O3 58.4(8) . . . . ?
C9 C8 C10 O3 -61.5(8) . . . . ?
Co1 O4 C11 C12 -176.2(5) . . . . ?
Co1 O4 C11 C16 2.8(10) . . . . ?
O4 C11 C12 C13 -178.2(8) . . . . ?
C16 C11 C12 C13 2.8(12) . . . . ?
C11 C12 C13 C14 -1.6(15) . . . . ?
C12 C13 C14 C15 0.1(18) . . . . ?
C13 C14 C15 C16 0.2(19) . . . . ?
C14 C15 C16 C11 1.0(16) . . . . ?
C14 C15 C16 C17 -179.9(11) . . . . ?
O4 C11 C16 C15 178.7(8) . . . . ?
C12 C11 C16 C15 -2.4(12) . . . . ?
O4 C11 C16 C17 -0.4(12) . . . . ?
C12 C11 C16 C17 178.6(7) . . . . ?
C18 N2 C17 C16 179.8(7) . . . . ?
Co1 N2 C17 C16 4.7(11) . . . . ?
C15 C16 C17 N2 177.3(9) . . . . ?
C11 C16 C17 N2 -3.6(13) . . . . ?
C17 N2 C18 C20 78.0(8) . . . . ?
Co1 N2 C18 C20 -106.3(5) . . . . ?
C17 N2 C18 C19 -156.5(6) . . . . ?
Co1 N2 C18 C19 19.2(6) . . . . ?
Co1 O5 C19 C18 45.5(6) . . . . ?
Co2 O5 C19 C18 -64.6(6) . . . . ?
N2 C18 C19 O5 -41.3(7) . . . . ?
C20 C18 C19 O5 83.2(7) . . . . ?
Co2 O6 C20 C18 13.2(9) . . . . ?
N2 C18 C20 O6 68.1(8) . . . . ?
C19 C18 C20 O6 -52.5(8) . . . . ?
Co3 O7 C21 C26 9.9(11) . . . . ?
Co3 O7 C21 C22 -171.9(6) . . . . ?
O7 C21 C22 C23 -179.1(9) . . . . ?
C26 C21 C22 C23 -0.7(13) . . . . ?
C21 C22 C23 C24 1.2(16) . . . . ?
C22 C23 C24 C25 -1.6(16) . . . . ?
C23 C24 C25 C26 1.4(14) . . . . ?
O7 C21 C26 C25 178.8(7) . . . . ?
C22 C21 C26 C25 0.6(11) . . . . ?
O7 C21 C26 C27 -3.6(12) . . . . ?
C22 C21 C26 C27 178.2(8) . . . . ?
C24 C25 C26 C21 -1.0(12) . . . . ?
C24 C25 C26 C27 -178.7(8) . . . . ?
C28 N3 C27 C26 -177.9(7) . . . . ?
Co3 N3 C27 C26 1.8(11) . . . . ?
C21 C26 C27 N3 -2.7(12) . . . . ?
C25 C26 C27 N3 174.9(7) . . . . ?
C27 N3 C28 C30 -164.3(6) . . . . ?
Co3 N3 C28 C30 16.0(7) . . . . ?
C27 N3 C28 C29 70.9(8) . . . . ?
Co3 N3 C28 C29 -108.8(5) . . . . ?
Co2 O8 C29 C28 -125.1(5) . . . . ?
Dy1 O8 C29 C28 30.5(9) . . . . ?
N3 C28 C29 O8 65.3(7) . . . . ?
C30 C28 C29 O8 -55.2(8) . . . . ?
Co3 O9 C30 C28 44.4(6) . . . . ?
Dy1 O9 C30 C28 -72.9(6) . . . . ?
N3 C28 C30 O9 -38.5(7) . . . . ?
C29 C28 C30 O9 83.6(7) . . . . ?
Co3 O10 C31 C36 10.3(11) . . . . ?
Co3 O10 C31 C32 -172.0(6) . . . . ?
O10 C31 C32 C33 179.7(8) . . . . ?
C36 C31 C32 C33 -2.4(12) . . . . ?
C31 C32 C33 C34 4.6(14) . . . . ?
C32 C33 C34 C35 -4.6(15) . . . . ?
C33 C34 C35 C36 2.5(14) . . . . ?
C34 C35 C36 C31 -0.4(13) . . . . ?
C34 C35 C36 C37 -179.6(8) . . . . ?
O10 C31 C36 C35 178.0(7) . . . . ?
C32 C31 C36 C35 0.2(11) . . . . ?
O10 C31 C36 C37 -2.8(12) . . . . ?
C32 C31 C36 C37 179.5(7) . . . . ?
C38 N4 C37 C36 -179.8(7) . . . . ?
Co3 N4 C37 C36 -0.9(11) . . . . ?
C35 C36 C37 N4 176.9(7) . . . . ?
C31 C36 C37 N4 -2.3(12) . . . . ?
C37 N4 C38 C39 -166.7(6) . . . . ?
Co3 N4 C38 C39 14.3(7) . . . . ?
C37 N4 C38 C40 69.3(8) . . . . ?
Co3 N4 C38 C40 -109.7(5) . . . . ?
Co3 O11 C39 C38 45.0(6) . . . . ?
Dy1 O11 C39 C38 -74.0(6) . . . . ?
N4 C38 C39 O11 -37.8(7) . . . . ?
C40 C38 C39 O11 84.1(7) . . . . ?
Co5 O12 C40 C38 -129.1(5) . . . . ?
Dy1 O12 C40 C38 35.3(9) . . . . ?
N4 C38 C40 O12 63.1(7) . . . . ?
C39 C38 C40 O12 -56.3(8) . . . . ?
Co4 O13 C41 C46 15.2(10) . . . . ?
Co4 O13 C41 C42 -166.5(5) . . . . ?
O13 C41 C42 C43 -176.7(6) . . . . ?
C46 C41 C42 C43 1.8(10) . . . . ?
C41 C42 C43 C44 -0.4(11) . . . . ?
C42 C43 C44 C45 -1.2(12) . . . . ?
C43 C44 C45 C46 1.5(11) . . . . ?
O13 C41 C46 C45 176.8(6) . . . . ?
C42 C41 C46 C45 -1.6(10) . . . . ?
O13 C41 C46 C47 -4.3(11) . . . . ?
C42 C41 C46 C47 177.4(7) . . . . ?
C44 C45 C46 C41 -0.1(11) . . . . ?
C44 C45 C46 C47 -179.1(7) . . . . ?
C48 N5 C47 C46 -178.9(6) . . . . ?
Co4 N5 C47 C46 0.2(10) . . . . ?
C41 C46 C47 N5 -4.0(11) . . . . ?
C45 C46 C47 N5 175.0(6) . . . . ?
C47 N5 C48 C50 -167.0(6) . . . . ?
Co4 N5 C48 C50 13.9(6) . . . . ?
C47 N5 C48 C49 69.9(7) . . . . ?
Co4 N5 C48 C49 -109.3(5) . . . . ?
Co2 O14 C49 C48 -131.6(5) . . . . ?
Dy1 O14 C49 C48 30.0(9) . . . . ?
N5 C48 C49 O14 65.6(7) . . . . ?
C50 C48 C49 O14 -53.1(8) . . . . ?
Co4 O15 C50 C48 44.1(6) . . . . ?
Dy1 O15 C50 C48 -75.7(5) . . . . ?
N5 C48 C50 O15 -36.7(6) . . . . ?
C49 C48 C50 O15 84.2(6) . . . . ?
Co4 O16 C51 C56 11.2(11) . . . . ?
Co4 O16 C51 C52 -170.0(6) . . . . ?
O16 C51 C52 C53 -178.3(8) . . . . ?
C56 C51 C52 C53 0.7(13) . . . . ?
C51 C52 C53 C54 2.0(15) . . . . ?
C52 C53 C54 C55 -2.3(16) . . . . ?
C53 C54 C55 C56 0.0(15) . . . . ?
C54 C55 C56 C51 2.7(13) . . . . ?
C54 C55 C56 C57 -175.0(8) . . . . ?
O16 C51 C56 C55 175.9(7) . . . . ?
C52 C51 C56 C55 -2.9(12) . . . . ?
O16 C51 C56 C57 -6.6(12) . . . . ?
C52 C51 C56 C57 174.6(7) . . . . ?
C58 N6 C57 C56 -175.1(7) . . . . ?
Co4 N6 C57 C56 9.4(11) . . . . ?
C55 C56 C57 N6 173.1(8) . . . . ?
C51 C56 C57 N6 -4.6(12) . . . . ?
C57 N6 C58 C60 77.3(8) . . . . ?
Co4 N6 C58 C60 -106.7(5) . . . . ?
C57 N6 C58 C59 -158.3(6) . . . . ?
Co4 N6 C58 C59 17.8(7) . . . . ?
Co4 O17 C59 C58 43.8(6) . . . . ?
Dy1 O17 C59 C58 -72.1(6) . . . . ?
N6 C58 C59 O17 -39.3(7) . . . . ?
C60 C58 C59 O17 82.2(7) . . . . ?
Co5 O18 C60 C58 -126.2(5) . . . . ?
Dy1 O18 C60 C58 29.5(9) . . . . ?
N6 C58 C60 O18 65.3(8) . . . . ?
C59 C58 C60 O18 -54.1(8) . . . . ?
Co6 O19 C61 C62 -167.7(5) . . . . ?
Co6 O19 C61 C66 15.5(10) . . . . ?
O19 C61 C62 C63 -178.9(8) . . . . ?
C66 C61 C62 C63 -1.9(13) . . . . ?
C61 C62 C63 C64 1.1(15) . . . . ?
C62 C63 C64 C65 -0.9(16) . . . . ?
C63 C64 C65 C66 1.6(16) . . . . ?
C64 C65 C66 C61 -2.4(14) . . . . ?
C64 C65 C66 C67 177.6(9) . . . . ?
O19 C61 C66 C65 179.3(8) . . . . ?
C62 C61 C66 C65 2.5(12) . . . . ?
O19 C61 C66 C67 -0.7(13) . . . . ?
C62 C61 C66 C67 -177.4(8) . . . . ?
C68 N7 C67 C66 -179.2(7) . . . . ?
Co6 N7 C67 C66 -3.3(13) . . . . ?
C65 C66 C67 N7 173.8(9) . . . . ?
C61 C66 C67 N7 -6.3(14) . . . . ?
C67 N7 C68 C70 65.6(9) . . . . ?
Co6 N7 C68 C70 -110.8(6) . . . . ?
C67 N7 C68 C69 -170.5(7) . . . . ?
Co6 N7 C68 C69 13.1(7) . . . . ?
Co6 O20 C69 C68 46.2(6) . . . . ?
Co5 O20 C69 C68 -64.4(6) . . . . ?
C70 C68 C69 O20 85.8(7) . . . . ?
N7 C68 C69 O20 -37.3(7) . . . . ?
Co5 O21 C70 C68 18.6(9) . . . . ?
N7 C68 C70 O21 62.6(8) . . . . ?
C69 C68 C70 O21 -57.1(8) . . . . ?
Co6 O22 C71 C76 28.3(10) . . . . ?
Co6 O22 C71 C72 -155.8(6) . . . . ?
O22 C71 C72 C73 -175.5(9) . . . . ?
C76 C71 C72 C73 0.8(13) . . . . ?
C71 C72 C73 C74 -0.2(19) . . . . ?
C72 C73 C74 C75 1(2) . . . . ?
C73 C74 C75 C76 -1.4(18) . . . . ?
C74 C75 C76 C71 2.1(15) . . . . ?
C74 C75 C76 C77 -177.6(9) . . . . ?
O22 C71 C76 C75 174.2(8) . . . . ?
C72 C71 C76 C75 -1.7(12) . . . . ?
O22 C71 C76 C77 -6.1(13) . . . . ?
C72 C71 C76 C77 178.0(8) . . . . ?
C78 N8 C77 C76 -175.1(7) . . . . ?
Co6 N8 C77 C76 -7.1(11) . . . . ?
C75 C76 C77 N8 173.9(8) . . . . ?
C71 C76 C77 N8 -5.8(13) . . . . ?
C77 N8 C78 C80 56.1(9) . . . . ?
Co6 N8 C78 C80 -113.2(5) . . . . ?
C77 N8 C78 C79 178.5(6) . . . . ?
Co6 N8 C78 C79 9.1(6) . . . . ?
Co6 O23 C79 C78 46.1(6) . . . . ?
Co5 O23 C79 C78 -60.4(6) . . . . ?
N8 C78 C79 O23 -35.4(7) . . . . ?
C80 C78 C79 O23 86.3(7) . . . . ?
Co5 O24 C80 C78 25.1(8) . . . . ?
N8 C78 C80 O24 56.3(8) . . . . ?
C79 C78 C80 O24 -62.3(8) . . . . ?
N9 Co7 O25 C86 135.6(4) 3_565 . . . ?
N9 Co7 O25 C86 -44.4(4) . . . . ?
N10 Co7 O25 C86 45.0(4) . . . . ?
N10 Co7 O25 C86 -135.0(4) 3_565 . . . ?
C85 N9 C81 C82 0.1(13) . . . . ?
Co7 N9 C81 C82 178.8(7) . . . . ?
N9 C81 C82 C83 -1.6(15) . . . . ?
C81 C82 C83 C84 3.3(17) . . . . ?
C82 C83 C84 C85 -3.5(17) . . . . ?
C81 N9 C85 C84 -0.3(13) . . . . ?
Co7 N9 C85 C84 -179.2(7) . . . . ?
C81 N9 C85 C86 -176.4(7) . . . . ?
Co7 N9 C85 C86 4.7(8) . . . . ?
C83 C84 C85 N9 2.0(15) . . . . ?
C83 C84 C85 C86 177.3(9) . . . . ?
Co7 O25 C86 O26 -177.0(5) . . . . ?
Co7 O25 C86 C87 -55.7(5) . . . . ?
Co7 O25 C86 C85 56.3(6) . . . . ?
N9 C85 C86 O26 -168.4(7) . . . . ?
C84 C85 C86 O26 15.9(13) . . . . ?
N9 C85 C86 O25 -41.7(8) . . . . ?
C84 C85 C86 O25 142.6(9) . . . . ?
N9 C85 C86 C87 70.7(8) . . . . ?
C84 C85 C86 C87 -105.1(10) . . . . ?
C91 N10 C87 C88 -2.7(12) . . . . ?
Co7 N10 C87 C88 177.5(6) . . . . ?
C91 N10 C87 C86 177.9(7) . . . . ?
Co7 N10 C87 C86 -2.0(7) . . . . ?
O26 C86 C87 N10 163.6(6) . . . . ?
O25 C86 C87 N10 39.5(8) . . . . ?
C85 C86 C87 N10 -72.6(7) . . . . ?
O26 C86 C87 C88 -15.9(11) . . . . ?
O25 C86 C87 C88 -140.0(8) . . . . ?
C85 C86 C87 C88 107.9(9) . . . . ?
N10 C87 C88 C89 1.0(12) . . . . ?
C86 C87 C88 C89 -179.6(8) . . . . ?
C87 C88 C89 C90 0.6(14) . . . . ?
C88 C89 C90 C91 -0.5(14) . . . . ?
C87 N10 C91 C90 2.8(12) . . . . ?
Co7 N10 C91 C90 -177.4(6) . . . . ?
C89 C90 C91 N10 -1.2(14) . . . . ?
N11 Co8 O27 C97 -134.5(4) 3_655 . . . ?
N11 Co8 O27 C97 45.5(4) . . . . ?
N12 Co8 O27 C97 -44.0(4) . . . . ?
N12 Co8 O27 C97 136.0(4) 3_655 . . . ?
C96 N11 C92 C93 1.8(12) . . . . ?
Co8 N11 C92 C93 -177.5(7) . . . . ?
N11 C92 C93 C94 -1.0(14) . . . . ?
C92 C93 C94 C95 -0.8(15) . . . . ?
C93 C94 C95 C96 1.7(14) . . . . ?
C94 C95 C96 N11 -1.0(12) . . . . ?
C94 C95 C96 C97 179.3(8) . . . . ?
C92 N11 C96 C95 -0.8(11) . . . . ?
Co8 N11 C96 C95 178.6(6) . . . . ?
C92 N11 C96 C97 179.0(7) . . . . ?
Co8 N11 C96 C97 -1.7(7) . . . . ?
Co8 O27 C97 O28 -179.9(5) . . . . ?
Co8 O27 C97 C98 55.6(6) . . . . ?
Co8 O27 C97 C96 -56.3(5) . . . . ?
C95 C96 C97 O28 -15.1(11) . . . . ?
N11 C96 C97 O28 165.2(6) . . . . ?
C95 C96 C97 O27 -141.2(8) . . . . ?
N11 C96 C97 O27 39.1(7) . . . . ?
C95 C96 C97 C98 106.1(8) . . . . ?
N11 C96 C97 C98 -73.6(7) . . . . ?
C102 N12 C98 C99 0.1(12) . . . . ?
Co8 N12 C98 C99 -176.3(6) . . . . ?
C102 N12 C98 C97 -179.6(7) . . . . ?
Co8 N12 C98 C97 4.0(7) . . . . ?
O28 C97 C98 C99 13.2(11) . . . . ?
O27 C97 C98 C99 139.8(8) . . . . ?
C96 C97 C98 C99 -107.4(9) . . . . ?
O28 C97 C98 N12 -167.1(6) . . . . ?
O27 C97 C98 N12 -40.5(8) . . . . ?
C96 C97 C98 N12 72.2(7) . . . . ?
N12 C98 C99 C100 0.0(12) . . . . ?
C97 C98 C99 C100 179.6(8) . . . . ?
C98 C99 C100 C101 -1.6(13) . . . . ?
C99 C100 C101 C102 3.3(14) . . . . ?
C98 N12 C102 C101 1.6(12) . . . . ?
Co8 N12 C102 C101 177.1(6) . . . . ?
C100 C101 C102 N12 -3.3(14) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O28 H28A O16 0.85 1.87 2.714(7) 171.0 3_665
O26 H26 O19 0.84 2.06 2.738(7) 137.7 .
O24 H24A O15 0.85 1.73 2.554(6) 162.9 .
O21 H21A O9 0.85 1.74 2.567(6) 164.4 .
O6 H6A O17 0.85 1.81 2.631(6) 161.5 .
O3 H3A O11 0.85 1.73 2.565(6) 164.9 .

_refine_diff_density_max         1.957
_refine_diff_density_min         -1.325
_refine_diff_density_rms         0.149

_vrf_PLAT910_complex_1           
;
PROBLEM:  Missing # of FCF Reflection(s) Below Theta(Min)          16 Note   
RESPONSE: Theta min = 2.9455 deg. The theta value of the missing reflections 
are less than 2.9455 deg. and therefore reflections were excluded.                                           
;
# end Validation Reply Form

#===END


####################################################################### 
# 
# 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 2102070'
loop_
_audit_author_name
_audit_author_address
'Hui-Sheng Wang'
;Wuhan Institute of Technology
China
;
_audit_update_record             
;
2021-08-08 deposited with the CCDC.	2022-11-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C44 H44 Co2 Dy2 N10 O23, 2CH3CN, 2.5H2O'
_chemical_formula_sum            'C48 H55 Co2 Dy2 N12 O25.50'
_chemical_formula_weight         1650.90

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.9878(17)
_cell_length_b                   13.4630(19)
_cell_length_c                   19.444(3)
_cell_angle_alpha                103.072(2)
_cell_angle_beta                 97.912(2)
_cell_angle_gamma                100.201(2)
_cell_volume                     2956.3(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    3903
_cell_measurement_theta_min      2.19
_cell_measurement_theta_max      20.58

_exptl_crystal_description       plate
_exptl_crystal_colour            brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.855
_exptl_crystal_F_000             1634
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.06
_exptl_absorpt_coefficient_mu    3.144
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6172
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   'SADABS (Bruker, 2014)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'PHOTON 100 CMOS detector'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            27817
_diffrn_reflns_av_unetI/netI     0.0849
_diffrn_reflns_av_R_equivalents  0.0645
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.590
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measured_fraction_theta_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_point_group_measured_fraction_full 0.989
_reflns_number_total             10291
_reflns_number_gt                7258
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0198P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10291
_refine_ls_number_parameters     732
_refine_ls_number_restraints     38
_refine_ls_R_factor_all          0.0736
_refine_ls_R_factor_gt           0.0457
_refine_ls_wR_factor_ref         0.0895
_refine_ls_wR_factor_gt          0.0842
_refine_ls_goodness_of_fit_ref   1.146
_refine_ls_restrained_S_all      1.192
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
C1 C 0.9351(6) -0.2427(5) 0.3102(4) 0.0270(18) Uani 1 1 d . . . . .
H1 H 0.8799 -0.2904 0.3221 0.032 Uiso 1 1 calc R U . . .
C2 C 1.0485(7) -0.2485(5) 0.3223(4) 0.0330(19) Uani 1 1 d . . . . .
H2 H 1.0701 -0.2981 0.3446 0.040 Uiso 1 1 calc R U . . .
C3 C 1.1295(6) -0.1834(5) 0.3024(4) 0.034(2) Uani 1 1 d . . . . .
H3 H 1.2063 -0.1884 0.3104 0.041 Uiso 1 1 calc R U . . .
C4 C 1.0960(6) -0.1082(5) 0.2695(4) 0.0283(18) Uani 1 1 d . . . . .
H4 H 1.1499 -0.0639 0.2539 0.034 Uiso 1 1 calc R U . . .
C5 C 0.9829(6) -0.1012(5) 0.2606(4) 0.0246(17) Uani 1 1 d . . . . .
C6 C 0.9273(6) -0.0202(5) 0.2326(3) 0.0201(16) Uani 1 1 d . . . . .
C7 C 0.8458(6) -0.0758(5) 0.1612(4) 0.0231(17) Uani 1 1 d . . . . .
C8 C 0.8562(6) -0.0669(5) 0.0939(4) 0.0326(19) Uani 1 1 d . . . . .
H8 H 0.9204 -0.0224 0.0873 0.039 Uiso 1 1 calc R U . . .
C9 C 0.7734(7) -0.1226(6) 0.0357(4) 0.048(2) Uani 1 1 d . . . . .
H9 H 0.7804 -0.1166 -0.0103 0.058 Uiso 1 1 calc R U . . .
C10 C 0.6788(7) -0.1884(6) 0.0472(4) 0.051(2) Uani 1 1 d . . . . .
H10 H 0.6212 -0.2273 0.0086 0.061 Uiso 1 1 calc R U . . .
C11 C 0.6703(6) -0.1959(5) 0.1156(4) 0.0336(19) Uani 1 1 d . . . . .
H11 H 0.6062 -0.2393 0.1231 0.040 Uiso 1 1 calc R U . . .
C12 C 0.6598(7) -0.3554(5) 0.2240(4) 0.0347(19) Uani 1 1 d . . . . .
H12 H 0.7285 -0.3655 0.2094 0.042 Uiso 1 1 calc R U . . .
C13 C 0.5681(7) -0.4400(6) 0.2119(4) 0.046(2) Uani 1 1 d . . . . .
H13 H 0.5747 -0.5067 0.1890 0.055 Uiso 1 1 calc R U . . .
C14 C 0.4678(7) -0.4239(6) 0.2342(5) 0.047(2) Uani 1 1 d . . . . .
H14 H 0.4062 -0.4802 0.2266 0.056 Uiso 1 1 calc R U . . .
C15 C 0.4572(7) -0.3258(6) 0.2674(5) 0.047(2) Uani 1 1 d . . . . .
H15 H 0.3895 -0.3146 0.2831 0.057 Uiso 1 1 calc R U . . .
C16 C 0.5505(6) -0.2441(6) 0.2769(4) 0.0329(19) Uani 1 1 d . . . . .
C17 C 0.5585(7) -0.1266(6) 0.3099(5) 0.039(2) Uani 1 1 d . . . . .
C18 C 0.6378(7) -0.0995(5) 0.3831(5) 0.038(2) Uani 1 1 d . . . . .
C19 C 0.6085(8) -0.0816(6) 0.4497(5) 0.050(2) Uani 1 1 d . . . . .
H19 H 0.5322 -0.0837 0.4548 0.060 Uiso 1 1 calc R U . . .
C20 C 0.6949(10) -0.0603(7) 0.5090(5) 0.061(3) Uani 1 1 d . . . . .
H20 H 0.6773 -0.0475 0.5549 0.073 Uiso 1 1 calc R U . . .
C21 C 0.8071(8) -0.0580(6) 0.5002(4) 0.046(2) Uani 1 1 d . . . . .
H21 H 0.8664 -0.0425 0.5398 0.055 Uiso 1 1 calc R U . . .
C22 C 0.8294(7) -0.0793(5) 0.4313(4) 0.036(2) Uani 1 1 d . . . . .
H22 H 0.9049 -0.0796 0.4252 0.043 Uiso 1 1 calc R U . . .
C23 C 0.4345(8) -0.0134(7) 0.3194(6) 0.095(2) Uani 1 1 d D U . . .
H23A H 0.4858 0.0335 0.3608 0.142 Uiso 1 1 calc R U . . .
H23B H 0.3562 -0.0121 0.3242 0.142 Uiso 1 1 calc R U . . .
H23C H 0.4497 0.0077 0.2770 0.142 Uiso 1 1 calc R U . . .
C24 C 0.7536(6) 0.5443(5) 0.3722(4) 0.0303(19) Uani 1 1 d . . . . .
C25 C 0.7731(7) 0.6331(5) 0.4303(4) 0.0318(19) Uani 1 1 d . . . . .
H25 H 0.8443 0.6797 0.4418 0.038 Uiso 1 1 calc R U . . .
C26 C 0.6905(7) 0.6531(6) 0.4705(4) 0.041(2) Uani 1 1 d . . . . .
H26 H 0.7075 0.7114 0.5095 0.049 Uiso 1 1 calc R U . . .
C27 C 0.5829(7) 0.5884(6) 0.4542(5) 0.043(2) Uani 1 1 d . . . . .
H27 H 0.5264 0.6042 0.4806 0.052 Uiso 1 1 calc R U . . .
C28 C 0.5599(7) 0.5002(6) 0.3983(4) 0.040(2) Uani 1 1 d . . . . .
H28 H 0.4877 0.4553 0.3873 0.048 Uiso 1 1 calc R U . . .
C29 C 0.6449(6) 0.4772(5) 0.3574(4) 0.0312(19) Uani 1 1 d . . . . .
C30 C 0.6139(6) 0.3824(5) 0.2984(4) 0.033(2) Uani 1 1 d . . . . .
H30 H 0.5372 0.3465 0.2866 0.040 Uiso 1 1 calc R U . . .
C31 C 0.6422(6) 0.2471(5) 0.2026(4) 0.0324(19) Uani 1 1 d . . . . .
H31 H 0.5783 0.2565 0.1691 0.039 Uiso 1 1 calc R U . . .
C32 C 0.6001(6) 0.1553(5) 0.2330(4) 0.036(2) Uani 1 1 d . . . . .
H32A H 0.5458 0.1735 0.2640 0.044 Uiso 1 1 calc R U . . .
H32B H 0.5602 0.0955 0.1940 0.044 Uiso 1 1 calc R U . . .
C33 C 0.7435(6) 0.2314(5) 0.1636(4) 0.0321(19) Uani 1 1 d . . . . .
H33A H 0.7345 0.1580 0.1402 0.038 Uiso 1 1 calc R U . . .
H33B H 0.7442 0.2699 0.1270 0.038 Uiso 1 1 calc R U . . .
C34 C 0.8841(8) 0.5011(6) 0.1601(4) 0.039(2) Uani 1 1 d . . . . .
C35 C 0.8391(8) 0.5310(7) 0.0984(5) 0.058(3) Uani 1 1 d . . . . .
H35 H 0.7603 0.5144 0.0804 0.069 Uiso 1 1 calc R U . . .
C36 C 0.9151(12) 0.5852(9) 0.0660(6) 0.099(4) Uani 1 1 d . . . . .
H36 H 0.8848 0.6065 0.0264 0.119 Uiso 1 1 calc R U . . .
C37 C 1.0337(12) 0.6103(10) 0.0884(7) 0.106(4) Uani 1 1 d . U . . .
H37 H 1.0820 0.6461 0.0643 0.127 Uiso 1 1 calc R U . . .
C38 C 1.0770(8) 0.5801(8) 0.1475(5) 0.073(3) Uani 1 1 d . . . . .
H38 H 1.1564 0.5950 0.1633 0.087 Uiso 1 1 calc R U . . .
C39 C 1.0049(7) 0.5272(6) 0.1850(4) 0.038(2) Uani 1 1 d . . . . .
C40 C 1.0576(7) 0.5068(6) 0.2489(4) 0.039(2) Uani 1 1 d . . . . .
H40 H 1.1372 0.5295 0.2622 0.046 Uiso 1 1 calc R U . . .
C41 C 1.0699(6) 0.4504(5) 0.3586(4) 0.0276(18) Uani 1 1 d . . . . .
H41 H 1.1204 0.5181 0.3842 0.033 Uiso 1 1 calc R U . . .
C42 C 0.9802(6) 0.4224(5) 0.4029(4) 0.0286(18) Uani 1 1 d . . . . .
H42A H 1.0121 0.3908 0.4391 0.034 Uiso 1 1 calc R U . . .
H42B H 0.9574 0.4849 0.4270 0.034 Uiso 1 1 calc R U . . .
C43 C 1.1438(6) 0.3688(5) 0.3425(4) 0.0322(19) Uani 1 1 d . . . . .
H43A H 1.2055 0.3957 0.3197 0.039 Uiso 1 1 calc R U . . .
H43B H 1.1788 0.3578 0.3874 0.039 Uiso 1 1 calc R U . . .
C44 C 1.0037(7) 0.2545(7) 0.0745(4) 0.055(2) Uani 1 1 d . . . . .
H44A H 1.0361 0.2077 0.0420 0.083 Uiso 1 1 calc R U . . .
H44B H 1.0442 0.3250 0.0806 0.083 Uiso 1 1 calc R U . . .
H44C H 0.9237 0.2475 0.0552 0.083 Uiso 1 1 calc R U . . .
Co1 Co 0.75539(8) -0.12656(7) 0.27234(5) 0.0247(2) Uani 1 1 d . . . . .
Co2 Co 0.84432(8) 0.40452(7) 0.27441(5) 0.0250(2) Uani 1 1 d . . . . .
Dy1 Dy 0.90195(3) 0.18547(2) 0.30570(2) 0.02309(10) Uani 1 1 d . . . . .
Dy2 Dy 1.15629(3) 0.17627(3) 0.21352(2) 0.02738(11) Uani 1 1 d . . . . .
N1 N 0.9028(5) -0.1669(4) 0.2805(3) 0.0236(14) Uani 1 1 d . . . . .
N2 N 0.7533(5) -0.1414(4) 0.1715(3) 0.0277(15) Uani 1 1 d . . . . .
N3 N 0.6500(5) -0.2592(4) 0.2566(3) 0.0271(15) Uani 1 1 d . . . . .
N4 N 0.7493(5) -0.0990(4) 0.3744(3) 0.0288(15) Uani 1 1 d . . . . .
N5 N 0.6858(5) 0.3449(4) 0.2615(3) 0.0281(15) Uani 1 1 d . . . . .
N6 N 1.0059(5) 0.4599(4) 0.2903(3) 0.0282(15) Uani 1 1 d . . . . .
N7 N 0.9339(7) 0.1731(4) 0.4521(4) 0.0382(17) Uani 1 1 d . . . . .
N8 N 1.3113(9) 0.3022(8) 0.1508(5) 0.084(3) Uani 1 1 d . U . . .
N9 N 1.1806(10) -0.0048(7) 0.1094(6) 0.084(3) Uani 1 1 d . U . . .
N10 N 1.3350(6) 0.1967(5) 0.3363(4) 0.0395(17) Uani 1 1 d . . . . .
O1 O 0.8513(4) 0.0046(3) 0.2818(2) 0.0217(11) Uani 1 1 d . . . . .
O2 O 0.9991(4) 0.0705(3) 0.2315(2) 0.0254(11) Uani 1 1 d . . . . .
O3 O 0.6186(4) -0.0747(3) 0.2667(3) 0.0293(12) Uani 1 1 d . . . . .
O4 O 0.4513(5) -0.1108(5) 0.3139(4) 0.084(2) Uani 1 1 d D U . . .
O5 O 0.8362(4) 0.5328(3) 0.3342(3) 0.0304(12) Uani 1 1 d . . . . .
O6 O 0.6938(4) 0.1287(3) 0.2729(3) 0.0369(14) Uani 1 1 d . . . . .
H6A H 0.6788 0.0625 0.2646 0.055 Uiso 1 1 d R U . . .
O7 O 0.8495(4) 0.2676(3) 0.2143(2) 0.0245(11) Uani 1 1 d . . . . .
O8 O 0.8087(4) 0.4539(3) 0.1925(3) 0.0333(13) Uani 1 1 d . . . . .
O9 O 0.8827(4) 0.3509(3) 0.3561(2) 0.0254(11) Uani 1 1 d . . . . .
O10 O 1.0806(4) 0.2725(3) 0.2977(2) 0.0274(12) Uani 1 1 d . . . . .
O11 O 0.8341(5) 0.1573(4) 0.4146(3) 0.0392(14) Uani 1 1 d . . . . .
O12 O 1.0182(5) 0.1888(4) 0.4193(3) 0.0405(14) Uani 1 1 d . . . . .
O13 O 0.9501(5) 0.1731(4) 0.5154(3) 0.0583(17) Uani 1 1 d . . . . .
O14 O 1.2492(5) 0.3449(5) 0.1875(4) 0.075(2) Uani 1 1 d . . . . .
O15 O 1.3112(6) 0.2063(6) 0.1426(4) 0.094(2) Uani 1 1 d . U . . .
O16 O 1.3877(7) 0.3524(6) 0.1238(4) 0.121(3) Uani 1 1 d . U . . .
O17 O 1.1131(5) 0.0513(5) 0.0949(3) 0.0620(19) Uani 1 1 d . . . . .
O18 O 1.2337(6) 0.0200(5) 0.1740(4) 0.077(2) Uani 1 1 d . . . . .
O19 O 1.1912(8) -0.0799(6) 0.0638(4) 0.125(3) Uani 1 1 d . U . . .
O20 O 1.2429(4) 0.1262(4) 0.3225(3) 0.0418(14) Uani 1 1 d . . . . .
O21 O 1.3407(4) 0.2569(4) 0.2942(3) 0.0481(15) Uani 1 1 d . . . . .
O22 O 1.4131(5) 0.2081(4) 0.3877(3) 0.0528(16) Uani 1 1 d . . . . .
O23 O 1.0140(4) 0.2300(4) 0.1416(3) 0.0362(13) Uani 1 1 d . . . . .
H23D H 0.9745 0.2629 0.1679 0.054 Uiso 1 1 d R U . . .


_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
C1 N1 1.366(8) . ?
C1 C2 1.366(9) . ?
C1 H1 0.9300 . ?
C2 C3 1.347(9) . ?
C2 H2 0.9300 . ?
C3 C4 1.401(9) . ?
C3 H3 0.9300 . ?
C4 C5 1.366(9) . ?
C4 H4 0.9300 . ?
C5 N1 1.346(8) . ?
C5 C6 1.535(8) . ?
C6 O2 1.371(7) . ?
C6 O1 1.435(7) . ?
C6 C7 1.529(9) . ?
C6 Dy1 2.901(6) . ?
C7 N2 1.358(8) . ?
C7 C8 1.362(9) . ?
C8 C9 1.368(10) . ?
C8 H8 0.9300 . ?
C9 C10 1.387(10) . ?
C9 H9 0.9300 . ?
C10 C11 1.373(10) . ?
C10 H10 0.9300 . ?
C11 N2 1.340(8) . ?
C11 H11 0.9300 . ?
C12 N3 1.340(8) . ?
C12 C13 1.388(9) . ?
C12 H12 0.9300 . ?
C13 C14 1.369(10) . ?
C13 H13 0.9300 . ?
C14 C15 1.368(10) . ?
C14 H14 0.9300 . ?
C15 C16 1.382(9) . ?
C15 H15 0.9300 . ?
C16 N3 1.341(8) . ?
C16 C17 1.547(10) . ?
C17 O4 1.349(8) . ?
C17 O3 1.402(8) . ?
C17 C18 1.527(11) . ?
C18 C19 1.368(10) . ?
C18 N4 1.370(9) . ?
C19 C20 1.379(11) . ?
C19 H19 0.9300 . ?
C20 C21 1.375(11) . ?
C20 H20 0.9300 . ?
C21 C22 1.378(10) . ?
C21 H21 0.9300 . ?
C22 N4 1.305(9) . ?
C22 H22 0.9300 . ?
C23 O4 1.344(7) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 O5 1.325(8) . ?
C24 C25 1.406(9) . ?
C24 C29 1.399(9) . ?
C25 C26 1.370(9) . ?
C25 H25 0.9300 . ?
C26 C27 1.373(10) . ?
C26 H26 0.9300 . ?
C27 C28 1.373(10) . ?
C27 H27 0.9300 . ?
C28 C29 1.410(9) . ?
C28 H28 0.9300 . ?
C29 C30 1.461(10) . ?
C30 N5 1.294(8) . ?
C30 H30 0.9300 . ?
C31 N5 1.492(8) . ?
C31 C32 1.524(9) . ?
C31 C33 1.539(9) . ?
C31 H31 0.9800 . ?
C32 O6 1.423(7) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C33 O7 1.430(7) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C34 O8 1.324(8) . ?
C34 C35 1.417(10) . ?
C34 C39 1.415(10) . ?
C35 C36 1.375(12) . ?
C35 H35 0.9300 . ?
C36 C37 1.385(14) . ?
C36 H36 0.9300 . ?
C37 C38 1.370(13) . ?
C37 H37 0.9300 . ?
C38 C39 1.405(10) . ?
C38 H38 0.9300 . ?
C39 C40 1.422(10) . ?
C40 N6 1.288(8) . ?
C40 H40 0.9300 . ?
C41 N6 1.482(8) . ?
C41 C42 1.515(9) . ?
C41 C43 1.535(8) . ?
C41 H41 0.9800 . ?
C42 O9 1.426(7) . ?
C42 H42A 0.9700 . ?
C42 H42B 0.9700 . ?
C43 O10 1.404(7) . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?
C44 O23 1.412(8) . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
Co1 O1 1.884(4) . ?
Co1 O3 1.892(4) . ?
Co1 N2 1.921(6) . ?
Co1 N3 1.930(5) . ?
Co1 N1 1.936(5) . ?
Co1 N4 1.948(6) . ?
Co2 O5 1.878(4) . ?
Co2 N5 1.886(6) . ?
Co2 O8 1.885(5) . ?
Co2 N6 1.904(6) . ?
Co2 O9 1.922(4) . ?
Co2 O7 1.963(4) . ?
Dy1 O9 2.287(4) . ?
Dy1 O10 2.296(4) . ?
Dy1 O1 2.324(4) . ?
Dy1 O7 2.367(4) . ?
Dy1 O6 2.425(4) . ?
Dy1 O12 2.430(5) . ?
Dy1 O2 2.434(4) . ?
Dy1 O11 2.454(5) . ?
Dy1 N7 2.865(7) . ?
Dy2 O10 2.247(4) . ?
Dy2 O2 2.270(4) . ?
Dy2 O23 2.371(4) . ?
Dy2 O21 2.439(5) . ?
Dy2 O17 2.455(6) . ?
Dy2 O18 2.456(6) . ?
Dy2 O15 2.491(6) . ?
Dy2 O20 2.512(5) . ?
Dy2 O14 2.537(5) . ?
Dy2 N9 2.883(9) . ?
Dy2 N8 2.873(10) . ?
Dy2 N10 2.907(7) . ?
N7 O13 1.221(7) . ?
N7 O11 1.268(7) . ?
N7 O12 1.279(7) . ?
N8 O14 1.226(10) . ?
N8 O16 1.283(10) . ?
N8 O15 1.264(10) . ?
N9 O19 1.222(9) . ?
N9 O17 1.247(10) . ?
N9 O18 1.269(11) . ?
N10 O22 1.234(7) . ?
N10 O21 1.275(7) . ?
N10 O20 1.274(7) . ?
O6 H6A 0.8499 . ?
O23 H23D 0.8500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 C1 C2 120.1(6) . . ?
N1 C1 H1 119.9 . . ?
C2 C1 H1 119.9 . . ?
C3 C2 C1 121.1(7) . . ?
C3 C2 H2 119.5 . . ?
C1 C2 H2 119.5 . . ?
C2 C3 C4 118.9(7) . . ?
C2 C3 H3 120.5 . . ?
C4 C3 H3 120.5 . . ?
C5 C4 C3 118.9(7) . . ?
C5 C4 H4 120.6 . . ?
C3 C4 H4 120.6 . . ?
N1 C5 C4 121.5(6) . . ?
N1 C5 C6 109.7(6) . . ?
C4 C5 C6 128.7(6) . . ?
O2 C6 O1 108.7(5) . . ?
O2 C6 C7 114.1(5) . . ?
O1 C6 C7 104.0(5) . . ?
O2 C6 C5 117.3(5) . . ?
O1 C6 C5 102.9(5) . . ?
C7 C6 C5 108.4(5) . . ?
O2 C6 Dy1 56.7(3) . . ?
O1 C6 Dy1 52.5(3) . . ?
C7 C6 Dy1 117.8(4) . . ?
C5 C6 Dy1 131.2(4) . . ?
N2 C7 C8 120.3(7) . . ?
N2 C7 C6 110.8(6) . . ?
C8 C7 C6 128.9(7) . . ?
C7 C8 C9 120.8(7) . . ?
C7 C8 H8 119.6 . . ?
C9 C8 H8 119.6 . . ?
C8 C9 C10 118.2(8) . . ?
C8 C9 H9 120.9 . . ?
C10 C9 H9 120.9 . . ?
C11 C10 C9 119.8(8) . . ?
C11 C10 H10 120.1 . . ?
C9 C10 H10 120.1 . . ?
N2 C11 C10 120.8(7) . . ?
N2 C11 H11 119.6 . . ?
C10 C11 H11 119.6 . . ?
N3 C12 C13 120.4(7) . . ?
N3 C12 H12 119.8 . . ?
C13 C12 H12 119.8 . . ?
C14 C13 C12 119.0(8) . . ?
C14 C13 H13 120.5 . . ?
C12 C13 H13 120.5 . . ?
C13 C14 C15 120.8(7) . . ?
C13 C14 H14 119.6 . . ?
C15 C14 H14 119.6 . . ?
C14 C15 C16 117.7(7) . . ?
C14 C15 H15 121.1 . . ?
C16 C15 H15 121.1 . . ?
N3 C16 C15 122.0(7) . . ?
N3 C16 C17 110.3(6) . . ?
C15 C16 C17 127.7(7) . . ?
O4 C17 O3 116.3(6) . . ?
O4 C17 C18 113.4(7) . . ?
O3 C17 C18 106.5(6) . . ?
O4 C17 C16 108.8(7) . . ?
O3 C17 C16 105.2(6) . . ?
C18 C17 C16 105.8(6) . . ?
C19 C18 N4 121.7(8) . . ?
C19 C18 C17 128.3(8) . . ?
N4 C18 C17 110.0(7) . . ?
C18 C19 C20 118.4(9) . . ?
C18 C19 H19 120.8 . . ?
C20 C19 H19 120.8 . . ?
C21 C20 C19 119.9(8) . . ?
C21 C20 H20 120.1 . . ?
C19 C20 H20 120.1 . . ?
C22 C21 C20 118.3(8) . . ?
C22 C21 H21 120.8 . . ?
C20 C21 H21 120.8 . . ?
N4 C22 C21 123.0(8) . . ?
N4 C22 H22 118.5 . . ?
C21 C22 H22 118.5 . . ?
O4 C23 H23A 109.5 . . ?
O4 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
O4 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
O5 C24 C25 118.2(7) . . ?
O5 C24 C29 125.2(7) . . ?
C25 C24 C29 116.5(7) . . ?
C26 C25 C24 121.9(7) . . ?
C26 C25 H25 119.0 . . ?
C24 C25 H25 119.0 . . ?
C25 C26 C27 121.1(8) . . ?
C25 C26 H26 119.4 . . ?
C27 C26 H26 119.4 . . ?
C28 C27 C26 119.1(8) . . ?
C28 C27 H27 120.5 . . ?
C26 C27 H27 120.5 . . ?
C27 C28 C29 120.5(7) . . ?
C27 C28 H28 119.7 . . ?
C29 C28 H28 119.7 . . ?
C28 C29 C24 120.8(7) . . ?
C28 C29 C30 117.4(7) . . ?
C24 C29 C30 121.7(7) . . ?
N5 C30 C29 124.5(7) . . ?
N5 C30 H30 117.8 . . ?
C29 C30 H30 117.8 . . ?
N5 C31 C32 110.6(6) . . ?
N5 C31 C33 106.0(5) . . ?
C32 C31 C33 112.3(6) . . ?
N5 C31 H31 109.3 . . ?
C32 C31 H31 109.3 . . ?
C33 C31 H31 109.3 . . ?
O6 C32 C31 111.0(5) . . ?
O6 C32 H32A 109.4 . . ?
C31 C32 H32A 109.4 . . ?
O6 C32 H32B 109.4 . . ?
C31 C32 H32B 109.4 . . ?
H32A C32 H32B 108.0 . . ?
O7 C33 C31 109.5(6) . . ?
O7 C33 H33A 109.8 . . ?
C31 C33 H33A 109.8 . . ?
O7 C33 H33B 109.8 . . ?
C31 C33 H33B 109.8 . . ?
H33A C33 H33B 108.2 . . ?
O8 C34 C35 117.0(8) . . ?
O8 C34 C39 124.2(7) . . ?
C35 C34 C39 118.7(8) . . ?
C36 C35 C34 118.3(9) . . ?
C36 C35 H35 120.9 . . ?
C34 C35 H35 120.9 . . ?
C35 C36 C37 124.3(10) . . ?
C35 C36 H36 117.8 . . ?
C37 C36 H36 117.8 . . ?
C38 C37 C36 117.2(11) . . ?
C38 C37 H37 121.4 . . ?
C36 C37 H37 121.4 . . ?
C37 C38 C39 121.9(10) . . ?
C37 C38 H38 119.0 . . ?
C39 C38 H38 119.0 . . ?
C38 C39 C34 119.5(8) . . ?
C38 C39 C40 117.5(8) . . ?
C34 C39 C40 122.9(7) . . ?
N6 C40 C39 126.4(7) . . ?
N6 C40 H40 116.8 . . ?
C39 C40 H40 116.8 . . ?
N6 C41 C42 106.5(6) . . ?
N6 C41 C43 109.7(6) . . ?
C42 C41 C43 113.4(6) . . ?
N6 C41 H41 109.1 . . ?
C42 C41 H41 109.1 . . ?
C43 C41 H41 109.1 . . ?
O9 C42 C41 108.6(5) . . ?
O9 C42 H42A 110.0 . . ?
C41 C42 H42A 110.0 . . ?
O9 C42 H42B 110.0 . . ?
C41 C42 H42B 110.0 . . ?
H42A C42 H42B 108.3 . . ?
O10 C43 C41 113.1(5) . . ?
O10 C43 H43A 109.0 . . ?
C41 C43 H43A 109.0 . . ?
O10 C43 H43B 109.0 . . ?
C41 C43 H43B 109.0 . . ?
H43A C43 H43B 107.8 . . ?
O23 C44 H44A 109.5 . . ?
O23 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
O23 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
O1 Co1 O3 93.71(18) . . ?
O1 Co1 N2 83.5(2) . . ?
O3 Co1 N2 91.2(2) . . ?
O1 Co1 N3 175.7(2) . . ?
O3 Co1 N3 83.5(2) . . ?
N2 Co1 N3 93.3(2) . . ?
O1 Co1 N1 81.3(2) . . ?
O3 Co1 N1 175.0(2) . . ?
N2 Co1 N1 89.1(2) . . ?
N3 Co1 N1 101.5(2) . . ?
O1 Co1 N4 93.7(2) . . ?
O3 Co1 N4 83.5(2) . . ?
N2 Co1 N4 173.8(2) . . ?
N3 Co1 N4 89.2(2) . . ?
N1 Co1 N4 95.9(2) . . ?
O5 Co2 N5 95.1(2) . . ?
O5 Co2 O8 90.4(2) . . ?
N5 Co2 O8 87.5(2) . . ?
O5 Co2 N6 85.9(2) . . ?
N5 Co2 N6 177.1(2) . . ?
O8 Co2 N6 95.3(2) . . ?
O5 Co2 O9 91.28(19) . . ?
N5 Co2 O9 93.0(2) . . ?
O8 Co2 O9 178.18(19) . . ?
N6 Co2 O9 84.2(2) . . ?
O5 Co2 O7 177.75(19) . . ?
N5 Co2 O7 83.4(2) . . ?
O8 Co2 O7 91.23(19) . . ?
N6 Co2 O7 95.5(2) . . ?
O9 Co2 O7 87.08(18) . . ?
O9 Dy1 O10 82.43(15) . . ?
O9 Dy1 O1 153.52(15) . . ?
O10 Dy1 O1 122.56(14) . . ?
O9 Dy1 O7 70.18(15) . . ?
O10 Dy1 O7 79.85(15) . . ?
O1 Dy1 O7 119.27(15) . . ?
O9 Dy1 O6 89.92(15) . . ?
O10 Dy1 O6 155.27(16) . . ?
O1 Dy1 O6 70.63(14) . . ?
O7 Dy1 O6 75.43(15) . . ?
O9 Dy1 O12 88.38(16) . . ?
O10 Dy1 O12 77.76(17) . . ?
O1 Dy1 O12 88.79(16) . . ?
O7 Dy1 O12 150.77(16) . . ?
O6 Dy1 O12 125.70(17) . . ?
O9 Dy1 O2 149.27(15) . . ?
O10 Dy1 O2 68.71(15) . . ?
O1 Dy1 O2 57.21(14) . . ?
O7 Dy1 O2 93.76(14) . . ?
O6 Dy1 O2 111.84(15) . . ?
O12 Dy1 O2 95.36(16) . . ?
O9 Dy1 O11 80.57(15) . . ?
O10 Dy1 O11 127.39(18) . . ?
O1 Dy1 O11 76.88(15) . . ?
O7 Dy1 O11 137.08(16) . . ?
O6 Dy1 O11 73.79(18) . . ?
O12 Dy1 O11 52.43(17) . . ?
O2 Dy1 O11 125.24(15) . . ?
O9 Dy1 N7 82.85(16) . . ?
O10 Dy1 N7 102.51(19) . . ?
O1 Dy1 N7 83.00(16) . . ?
O7 Dy1 N7 152.47(16) . . ?
O6 Dy1 N7 99.80(19) . . ?
O12 Dy1 N7 26.33(16) . . ?
O2 Dy1 N7 112.81(16) . . ?
O11 Dy1 N7 26.13(17) . . ?
O9 Dy1 C6 176.07(17) . . ?
O10 Dy1 C6 95.88(17) . . ?
O1 Dy1 C6 29.31(15) . . ?
O7 Dy1 C6 106.06(16) . . ?
O6 Dy1 C6 90.20(17) . . ?
O12 Dy1 C6 94.74(17) . . ?
O2 Dy1 C6 28.07(15) . . ?
O11 Dy1 C6 103.23(17) . . ?
N7 Dy1 C6 101.00(17) . . ?
O10 Dy2 O2 72.52(15) . . ?
O10 Dy2 O23 78.59(16) . . ?
O2 Dy2 O23 82.32(15) . . ?
O10 Dy2 O21 85.05(17) . . ?
O2 Dy2 O21 129.50(17) . . ?
O23 Dy2 O21 137.34(17) . . ?
O10 Dy2 O17 144.87(18) . . ?
O2 Dy2 O17 82.88(17) . . ?
O23 Dy2 O17 73.5(2) . . ?
O21 Dy2 O17 130.05(19) . . ?
O10 Dy2 O18 147.95(18) . . ?
O2 Dy2 O18 88.10(19) . . ?
O23 Dy2 O18 124.8(2) . . ?
O21 Dy2 O18 88.3(2) . . ?
O17 Dy2 O18 51.4(2) . . ?
O10 Dy2 O15 137.3(2) . . ?
O2 Dy2 O15 149.6(2) . . ?
O23 Dy2 O15 96.6(2) . . ?
O21 Dy2 O15 70.0(2) . . ?
O17 Dy2 O15 67.8(2) . . ?
O18 Dy2 O15 67.5(2) . . ?
O10 Dy2 O20 80.15(16) . . ?
O2 Dy2 O20 79.75(16) . . ?
O23 Dy2 O20 155.48(16) . . ?
O21 Dy2 O20 51.65(17) . . ?
O17 Dy2 O20 120.3(2) . . ?
O18 Dy2 O20 71.3(2) . . ?
O15 Dy2 O20 107.4(2) . . ?
O10 Dy2 O14 87.9(2) . . ?
O2 Dy2 O14 150.21(18) . . ?
O23 Dy2 O14 71.69(17) . . ?
O21 Dy2 O14 68.57(19) . . ?
O17 Dy2 O14 102.8(2) . . ?
O18 Dy2 O14 118.5(2) . . ?
O15 Dy2 O14 51.2(2) . . ?
O20 Dy2 O14 119.63(19) . . ?
O10 Dy2 N9 158.4(2) . . ?
O2 Dy2 N9 85.8(2) . . ?
O23 Dy2 N9 98.9(3) . . ?
O21 Dy2 N9 109.6(3) . . ?
O17 Dy2 N9 25.4(2) . . ?
O18 Dy2 N9 26.0(2) . . ?
O15 Dy2 N9 64.2(2) . . ?
O20 Dy2 N9 96.3(3) . . ?
O14 Dy2 N9 111.9(3) . . ?
O10 Dy2 N8 112.6(2) . . ?
O2 Dy2 N8 163.0(2) . . ?
O23 Dy2 N8 82.9(2) . . ?
O21 Dy2 N8 67.5(2) . . ?
O17 Dy2 N8 84.9(2) . . ?
O18 Dy2 N8 93.5(3) . . ?
O15 Dy2 N8 26.0(2) . . ?
O20 Dy2 N8 116.8(2) . . ?
O14 Dy2 N8 25.2(2) . . ?
N9 Dy2 N8 88.2(3) . . ?
O10 Dy2 N10 82.20(16) . . ?
O2 Dy2 N10 104.93(18) . . ?
O23 Dy2 N10 156.36(17) . . ?
O21 Dy2 N10 25.74(15) . . ?
O17 Dy2 N10 129.2(2) . . ?
O18 Dy2 N10 78.4(2) . . ?
O15 Dy2 N10 88.3(2) . . ?
O20 Dy2 N10 25.91(16) . . ?
O14 Dy2 N10 94.1(2) . . ?
N9 Dy2 N10 104.0(3) . . ?
N8 Dy2 N10 92.0(2) . . ?
C5 N1 C1 119.3(6) . . ?
C5 N1 Co1 111.7(4) . . ?
C1 N1 Co1 128.5(5) . . ?
C11 N2 C7 120.0(6) . . ?
C11 N2 Co1 129.0(5) . . ?
C7 N2 Co1 110.5(5) . . ?
C12 N3 C16 119.9(6) . . ?
C12 N3 Co1 129.8(5) . . ?
C16 N3 Co1 110.0(5) . . ?
C22 N4 C18 118.8(7) . . ?
C22 N4 Co1 132.1(6) . . ?
C18 N4 Co1 109.2(5) . . ?
C30 N5 C31 118.8(6) . . ?
C30 N5 Co2 125.5(5) . . ?
C31 N5 Co2 115.7(4) . . ?
C40 N6 C41 121.1(6) . . ?
C40 N6 Co2 124.9(5) . . ?
C41 N6 Co2 113.9(4) . . ?
O13 N7 O11 122.8(7) . . ?
O13 N7 O12 121.3(7) . . ?
O11 N7 O12 115.9(6) . . ?
O13 N7 Dy1 176.8(5) . . ?
O11 N7 Dy1 58.5(4) . . ?
O12 N7 Dy1 57.5(4) . . ?
O14 N8 O16 122.9(10) . . ?
O14 N8 O15 121.7(10) . . ?
O16 N8 O15 115.1(10) . . ?
O14 N8 Dy2 61.9(5) . . ?
O16 N8 Dy2 174.2(8) . . ?
O15 N8 Dy2 59.9(5) . . ?
O19 N9 O17 121.0(12) . . ?
O19 N9 O18 123.4(11) . . ?
O17 N9 O18 115.6(8) . . ?
O19 N9 Dy2 178.1(8) . . ?
O17 N9 Dy2 57.7(5) . . ?
O18 N9 Dy2 57.9(4) . . ?
O22 N10 O21 121.6(7) . . ?
O22 N10 O20 122.7(7) . . ?
O21 N10 O20 115.7(7) . . ?
O22 N10 Dy2 177.8(6) . . ?
O21 N10 Dy2 56.2(4) . . ?
O20 N10 Dy2 59.5(4) . . ?
C6 O1 Co1 102.6(3) . . ?
C6 O1 Dy1 98.2(3) . . ?
Co1 O1 Dy1 156.7(2) . . ?
C6 O2 Dy2 158.5(4) . . ?
C6 O2 Dy1 95.3(3) . . ?
Dy2 O2 Dy1 105.66(16) . . ?
C17 O3 Co1 101.2(4) . . ?
C23 O4 C17 117.8(7) . . ?
C24 O5 Co2 123.4(4) . . ?
C32 O6 Dy1 138.5(4) . . ?
C32 O6 H6A 106.6 . . ?
Dy1 O6 H6A 106.6 . . ?
C33 O7 Co2 107.1(4) . . ?
C33 O7 Dy1 123.4(4) . . ?
Co2 O7 Dy1 99.30(18) . . ?
C34 O8 Co2 126.0(5) . . ?
C42 O9 Co2 108.0(4) . . ?
C42 O9 Dy1 118.3(4) . . ?
Co2 O9 Dy1 103.41(19) . . ?
C43 O10 Dy2 121.6(4) . . ?
C43 O10 Dy1 126.8(4) . . ?
Dy2 O10 Dy1 111.27(18) . . ?
N7 O11 Dy1 95.4(4) . . ?
N7 O12 Dy1 96.2(4) . . ?
N8 O14 Dy2 92.9(6) . . ?
N8 O15 Dy2 94.1(6) . . ?
N9 O17 Dy2 96.8(6) . . ?
N9 O18 Dy2 96.1(6) . . ?
N10 O20 Dy2 94.6(4) . . ?
N10 O21 Dy2 98.1(4) . . ?
C44 O23 Dy2 135.3(4) . . ?
C44 O23 H23D 109.9 . . ?
Dy2 O23 H23D 110.2 . . ?

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
N1 C1 C2 C3 -3.1(11) . . . . ?
C1 C2 C3 C4 0.7(11) . . . . ?
C2 C3 C4 C5 2.0(10) . . . . ?
C3 C4 C5 N1 -2.2(10) . . . . ?
C3 C4 C5 C6 174.0(7) . . . . ?
N1 C5 C6 O2 159.8(5) . . . . ?
C4 C5 C6 O2 -16.8(10) . . . . ?
N1 C5 C6 O1 40.6(7) . . . . ?
C4 C5 C6 O1 -136.0(7) . . . . ?
N1 C5 C6 C7 -69.1(7) . . . . ?
C4 C5 C6 C7 114.3(8) . . . . ?
N1 C5 C6 Dy1 91.5(6) . . . . ?
C4 C5 C6 Dy1 -85.1(9) . . . . ?
O2 C6 C7 N2 -158.7(5) . . . . ?
O1 C6 C7 N2 -40.5(6) . . . . ?
C5 C6 C7 N2 68.5(7) . . . . ?
Dy1 C6 C7 N2 -95.1(5) . . . . ?
O2 C6 C7 C8 21.5(9) . . . . ?
O1 C6 C7 C8 139.7(7) . . . . ?
C5 C6 C7 C8 -111.3(8) . . . . ?
Dy1 C6 C7 C8 85.1(8) . . . . ?
N2 C7 C8 C9 0.8(10) . . . . ?
C6 C7 C8 C9 -179.4(7) . . . . ?
C7 C8 C9 C10 -0.1(12) . . . . ?
C8 C9 C10 C11 0.1(12) . . . . ?
C9 C10 C11 N2 -0.9(12) . . . . ?
N3 C12 C13 C14 -0.4(11) . . . . ?
C12 C13 C14 C15 0.5(12) . . . . ?
C13 C14 C15 C16 0.6(13) . . . . ?
C14 C15 C16 N3 -2.0(12) . . . . ?
C14 C15 C16 C17 177.4(8) . . . . ?
N3 C16 C17 O4 165.6(6) . . . . ?
C15 C16 C17 O4 -13.9(12) . . . . ?
N3 C16 C17 O3 40.3(8) . . . . ?
C15 C16 C17 O3 -139.2(8) . . . . ?
N3 C16 C17 C18 -72.2(8) . . . . ?
C15 C16 C17 C18 108.3(9) . . . . ?
O4 C17 C18 C19 13.6(11) . . . . ?
O3 C17 C18 C19 142.8(7) . . . . ?
C16 C17 C18 C19 -105.6(8) . . . . ?
O4 C17 C18 N4 -169.0(6) . . . . ?
O3 C17 C18 N4 -39.8(7) . . . . ?
C16 C17 C18 N4 71.8(7) . . . . ?
N4 C18 C19 C20 1.5(11) . . . . ?
C17 C18 C19 C20 178.6(7) . . . . ?
C18 C19 C20 C21 -0.3(12) . . . . ?
C19 C20 C21 C22 -1.2(12) . . . . ?
C20 C21 C22 N4 1.7(11) . . . . ?
O5 C24 C25 C26 177.4(6) . . . . ?
C29 C24 C25 C26 0.1(10) . . . . ?
C24 C25 C26 C27 -2.2(11) . . . . ?
C25 C26 C27 C28 2.6(12) . . . . ?
C26 C27 C28 C29 -1.1(11) . . . . ?
C27 C28 C29 C24 -0.9(11) . . . . ?
C27 C28 C29 C30 -179.6(7) . . . . ?
O5 C24 C29 C28 -175.7(6) . . . . ?
C25 C24 C29 C28 1.3(10) . . . . ?
O5 C24 C29 C30 3.0(11) . . . . ?
C25 C24 C29 C30 180.0(6) . . . . ?
C28 C29 C30 N5 -171.9(7) . . . . ?
C24 C29 C30 N5 9.4(11) . . . . ?
N5 C31 C32 O6 -68.8(7) . . . . ?
C33 C31 C32 O6 49.4(8) . . . . ?
N5 C31 C33 O7 34.3(7) . . . . ?
C32 C31 C33 O7 -86.6(7) . . . . ?
O8 C34 C35 C36 176.5(8) . . . . ?
C39 C34 C35 C36 -0.7(12) . . . . ?
C34 C35 C36 C37 1.9(17) . . . . ?
C35 C36 C37 C38 -1(2) . . . . ?
C36 C37 C38 C39 -0.9(18) . . . . ?
C37 C38 C39 C34 2.0(15) . . . . ?
C37 C38 C39 C40 -175.1(10) . . . . ?
O8 C34 C39 C38 -178.2(7) . . . . ?
C35 C34 C39 C38 -1.2(12) . . . . ?
O8 C34 C39 C40 -1.3(12) . . . . ?
C35 C34 C39 C40 175.8(7) . . . . ?
C38 C39 C40 N6 179.8(8) . . . . ?
C34 C39 C40 N6 2.8(12) . . . . ?
N6 C41 C42 O9 38.9(7) . . . . ?
C43 C41 C42 O9 -81.7(7) . . . . ?
N6 C41 C43 O10 -52.7(8) . . . . ?
C42 C41 C43 O10 66.1(8) . . . . ?
C4 C5 N1 C1 -0.2(10) . . . . ?
C6 C5 N1 C1 -177.1(5) . . . . ?
C4 C5 N1 Co1 172.8(5) . . . . ?
C6 C5 N1 Co1 -4.1(7) . . . . ?
C2 C1 N1 C5 2.8(10) . . . . ?
C2 C1 N1 Co1 -168.7(5) . . . . ?
C10 C11 N2 C7 1.6(10) . . . . ?
C10 C11 N2 Co1 172.9(5) . . . . ?
C8 C7 N2 C11 -1.6(9) . . . . ?
C6 C7 N2 C11 178.6(6) . . . . ?
C8 C7 N2 Co1 -174.4(5) . . . . ?
C6 C7 N2 Co1 5.8(6) . . . . ?
C13 C12 N3 C16 -0.9(11) . . . . ?
C13 C12 N3 Co1 -173.4(5) . . . . ?
C15 C16 N3 C12 2.1(11) . . . . ?
C17 C16 N3 C12 -177.3(6) . . . . ?
C15 C16 N3 Co1 176.0(6) . . . . ?
C17 C16 N3 Co1 -3.5(7) . . . . ?
C21 C22 N4 C18 -0.6(10) . . . . ?
C21 C22 N4 Co1 177.6(5) . . . . ?
C19 C18 N4 C22 -1.0(10) . . . . ?
C17 C18 N4 C22 -178.7(6) . . . . ?
C19 C18 N4 Co1 -179.6(6) . . . . ?
C17 C18 N4 Co1 2.7(7) . . . . ?
C29 C30 N5 C31 180.0(6) . . . . ?
C29 C30 N5 Co2 -1.0(10) . . . . ?
C32 C31 N5 C30 -65.1(8) . . . . ?
C33 C31 N5 C30 172.9(6) . . . . ?
C32 C31 N5 Co2 115.7(5) . . . . ?
C33 C31 N5 Co2 -6.3(7) . . . . ?
O5 Co2 N5 C30 -12.5(6) . . . . ?
O8 Co2 N5 C30 -102.7(6) . . . . ?
O9 Co2 N5 C30 79.1(6) . . . . ?
O7 Co2 N5 C30 165.8(6) . . . . ?
O5 Co2 N5 C31 166.6(5) . . . . ?
O8 Co2 N5 C31 76.4(5) . . . . ?
O9 Co2 N5 C31 -101.8(5) . . . . ?
O7 Co2 N5 C31 -15.1(5) . . . . ?
C39 C40 N6 C41 -175.4(6) . . . . ?
C39 C40 N6 Co2 0.9(10) . . . . ?
C42 C41 N6 C40 163.1(6) . . . . ?
C43 C41 N6 C40 -73.9(8) . . . . ?
C42 C41 N6 Co2 -13.5(6) . . . . ?
C43 C41 N6 Co2 109.4(5) . . . . ?
O2 C6 O1 Co1 177.0(4) . . . . ?
C7 C6 O1 Co1 55.0(5) . . . . ?
C5 C6 O1 Co1 -57.9(5) . . . . ?
Dy1 C6 O1 Co1 169.5(3) . . . . ?
O2 C6 O1 Dy1 7.5(5) . . . . ?
C7 C6 O1 Dy1 -114.5(4) . . . . ?
C5 C6 O1 Dy1 132.6(4) . . . . ?
O3 Co1 O1 C6 -134.5(4) . . . . ?
N2 Co1 O1 C6 -43.7(4) . . . . ?
N1 Co1 O1 C6 46.4(4) . . . . ?
N4 Co1 O1 C6 141.9(4) . . . . ?
O3 Co1 O1 Dy1 18.4(6) . . . . ?
N2 Co1 O1 Dy1 109.1(6) . . . . ?
N1 Co1 O1 Dy1 -160.8(6) . . . . ?
N4 Co1 O1 Dy1 -65.3(6) . . . . ?
O1 C6 O2 Dy2 159.2(8) . . . . ?
C7 C6 O2 Dy2 -85.2(12) . . . . ?
C5 C6 O2 Dy2 43.2(14) . . . . ?
Dy1 C6 O2 Dy2 166.4(11) . . . . ?
O1 C6 O2 Dy1 -7.1(5) . . . . ?
C7 C6 O2 Dy1 108.4(5) . . . . ?
C5 C6 O2 Dy1 -123.2(5) . . . . ?
O4 C17 O3 Co1 -176.3(6) . . . . ?
C18 C17 O3 Co1 56.2(6) . . . . ?
C16 C17 O3 Co1 -55.8(6) . . . . ?
O1 Co1 O3 C17 -138.2(4) . . . . ?
N2 Co1 O3 C17 138.2(5) . . . . ?
N3 Co1 O3 C17 45.1(4) . . . . ?
N4 Co1 O3 C17 -44.9(4) . . . . ?
O3 C17 O4 C23 -41.0(12) . . . . ?
C18 C17 O4 C23 82.9(10) . . . . ?
C16 C17 O4 C23 -159.6(8) . . . . ?
C25 C24 O5 Co2 161.2(5) . . . . ?
C29 C24 O5 Co2 -21.9(9) . . . . ?
N5 Co2 O5 C24 23.3(5) . . . . ?
O8 Co2 O5 C24 110.8(5) . . . . ?
N6 Co2 O5 C24 -153.9(5) . . . . ?
O9 Co2 O5 C24 -69.9(5) . . . . ?
C31 C32 O6 Dy1 -0.9(10) . . . . ?
C31 C33 O7 Co2 -46.4(6) . . . . ?
C31 C33 O7 Dy1 67.5(6) . . . . ?
C35 C34 O8 Co2 179.2(5) . . . . ?
C39 C34 O8 Co2 -3.7(10) . . . . ?
O5 Co2 O8 C34 91.5(5) . . . . ?
N5 Co2 O8 C34 -173.4(6) . . . . ?
N6 Co2 O8 C34 5.6(6) . . . . ?
O7 Co2 O8 C34 -90.0(5) . . . . ?
C41 C42 O9 Co2 -47.2(6) . . . . ?
C41 C42 O9 Dy1 69.6(6) . . . . ?
C41 C43 O10 Dy2 142.8(5) . . . . ?
C41 C43 O10 Dy1 -43.7(8) . . . . ?
O13 N7 O11 Dy1 176.5(6) . . . . ?
O12 N7 O11 Dy1 -3.8(6) . . . . ?
O13 N7 O12 Dy1 -176.5(6) . . . . ?
O11 N7 O12 Dy1 3.9(6) . . . . ?
O16 N8 O14 Dy2 -176.2(9) . . . . ?
O15 N8 O14 Dy2 -2.6(11) . . . . ?
O14 N8 O15 Dy2 2.7(11) . . . . ?
O16 N8 O15 Dy2 176.7(8) . . . . ?
O19 N9 O17 Dy2 -178.4(9) . . . . ?
O18 N9 O17 Dy2 3.4(9) . . . . ?
O19 N9 O18 Dy2 178.5(9) . . . . ?
O17 N9 O18 Dy2 -3.4(9) . . . . ?
O22 N10 O20 Dy2 -179.9(6) . . . . ?
O21 N10 O20 Dy2 1.6(6) . . . . ?
O22 N10 O21 Dy2 179.8(6) . . . . ?
O20 N10 O21 Dy2 -1.6(6) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O23 H23D O7 0.85 1.85 2.635(6) 151.8 .
O6 H6A O3 0.85 1.87 2.696(6) 163.1 .

_refine_diff_density_max         1.487
_refine_diff_density_min         -1.086
_refine_diff_density_rms         0.146




