# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_2
_database_code_depnum_ccdc_archive 'CCDC 2413374'
loop_
_audit_author_name
_audit_author_address
'qiaoqiao huang'
;Changchun University of Science and Technology
China
;
_audit_update_record             
;
2024-12-25 deposited with the CCDC.	2025-12-22 downloaded from the CCDC.
;
_audit_creation_date             2024-05-20
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.06.28 svn.raecde09e for OlexSys, GUI svn.r6132)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C52 H40 Co2 N8 O8'
_chemical_formula_sum            'C52 H40 Co2 N8 O8'
_chemical_formula_weight         1022.78
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   10.5121(6)
_cell_length_b                   11.5698(5)
_cell_length_c                   19.0923(10)
_cell_angle_alpha                96.406(2)
_cell_angle_beta                 93.983(3)
_cell_angle_gamma                101.347(2)
_cell_volume                     2252.5(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    8745
_cell_measurement_temperature    294.96
_cell_measurement_theta_max      24.67
_cell_measurement_theta_min      2.35
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.804
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.508
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       ?
_exptl_crystal_F_000             1052
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0710
_diffrn_reflns_av_unetI/netI     0.0543
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            34323
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.075
_diffrn_reflns_theta_max         25.075
_diffrn_reflns_theta_min         2.608
_diffrn_ambient_temperature      294.96
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           0.9
_diffrn_source_power             0.0405
_diffrn_source_voltage           45.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5725
_reflns_number_total             7910
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         0.731
_refine_diff_density_min         -0.482
_refine_diff_density_rms         0.072
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     631
_refine_ls_number_reflns         7910
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0817
_refine_ls_R_factor_gt           0.0516
_refine_ls_restrained_S_all      1.059
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0514P)²+3.2308P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1168
_refine_ls_wR_factor_ref         0.1295
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C53(H53A,H53B), C44(H44A,H44B), C29(H29A,H29B), C37(H37A,H37B)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C9(H9), C42(H42), C40(H40), C15(H15), C30(H30), C41(H41),
 C23(H23), C16(H16), C11(H11), C10(H10), C12(H12), C54(H54), C20(H20), C22(H22),
  C26(H26), C21(H21), C47(H47), C52(H52), C51(H51), C43(H43), C36(H36),
 C27(H27), C32(H32), C33(H33), C46(H46), C35(H35), C50(H50), C49(H49), C39(H39),
  C38(H38)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.86620(5) 0.56901(4) -0.13362(3) 0.02688(15) Uani 1 1 d . . . . .
Co2 Co 0.53902(5) 0.85799(5) 0.37518(3) 0.02657(15) Uani 1 1 d . . . . .
O3 O 0.6349(3) 0.8563(2) 0.46808(13) 0.0339(7) Uani 1 1 d . . . . .
O7 O 0.8609(3) 0.6618(3) -0.04040(14) 0.0399(7) Uani 1 1 d . . . . .
O4 O 0.5366(3) 0.6713(2) 0.43428(15) 0.0409(7) Uani 1 1 d . . . . .
O8 O 0.6582(3) 0.5681(3) -0.06865(15) 0.0478(8) Uani 1 1 d . . . . .
O6 O 0.5332(3) 0.7806(3) 0.27575(16) 0.0504(8) Uani 1 1 d . . . . .
O1 O 0.7851(3) 0.5306(3) 0.76031(16) 0.0498(8) Uani 1 1 d . . . . .
N5 N -0.4105(3) 0.0415(3) 0.37540(18) 0.0350(8) Uani 1 1 d . . . . .
N8 N 0.3411(3) 0.8351(3) 0.37578(16) 0.0297(7) Uani 1 1 d . . . . .
O2 O 0.8454(3) 0.7178(3) 0.79957(15) 0.0529(9) Uani 1 1 d . . . . .
O5 O 0.7423(4) 0.8408(3) 0.30685(16) 0.0523(9) Uani 1 1 d . . . . .
N1 N 0.8485(3) 0.3913(3) -0.12639(17) 0.0311(8) Uani 1 1 d . . . . .
N4 N 0.0674(3) -0.3840(3) -0.13527(17) 0.0331(8) Uani 1 1 d . . . . .
N2 N 0.7834(3) 0.2005(3) -0.16240(18) 0.0370(8) Uani 1 1 d . . . . .
N6 N -0.3192(3) 0.2279(3) 0.41761(18) 0.0370(8) Uani 1 1 d . . . . .
N3 N 0.2720(4) -0.3066(3) -0.09742(19) 0.0426(9) Uani 1 1 d . . . . .
N7 N 0.1361(3) 0.7600(3) 0.33856(19) 0.0385(9) Uani 1 1 d . . . . .
C2 C 0.6712(3) 0.7142(3) 0.54372(18) 0.0224(8) Uani 1 1 d . . . . .
C1 C 0.6109(4) 0.7465(3) 0.47672(19) 0.0247(8) Uani 1 1 d . . . . .
C8 C 0.7984(4) 0.7733(3) 0.57504(19) 0.0237(8) Uani 1 1 d . . . . .
C7 C 0.8407(4) 0.7517(3) 0.64409(19) 0.0253(8) Uani 1 1 d . . . . .
C18 C 0.7701(4) 0.8053(3) 0.07542(19) 0.0272(9) Uani 1 1 d . . . . .
C24 C 0.7114(4) 0.6870(3) 0.0443(2) 0.0289(9) Uani 1 1 d . . . . .
C5 C 0.7589(4) 0.6648(3) 0.67770(19) 0.0271(9) Uani 1 1 d . . . . .
C3 C 0.6001(4) 0.6279(3) 0.5764(2) 0.0315(9) Uani 1 1 d . . . . .
H3 H 0.520283 0.585337 0.554513 0.038 Uiso 1 1 calc R U . . .
C4 C 0.6454(4) 0.6020(4) 0.6429(2) 0.0340(10) Uani 1 1 d . . . . .
H4 H 0.596507 0.540644 0.663266 0.041 Uiso 1 1 calc R U . . .
C14 C 0.6732(4) 0.7619(3) 0.1856(2) 0.0304(9) Uani 1 1 d . . . . .
C19 C 0.7548(4) 0.8421(3) 0.1475(2) 0.0292(9) Uani 1 1 d . . . . .
C9 C 0.8877(4) 0.8456(3) 0.5376(2) 0.0313(9) Uani 1 1 d . . . . .
H9 H 0.862386 0.858256 0.491923 0.038 Uiso 1 1 calc R U . . .
C25 C 0.7425(4) 0.6354(3) -0.0267(2) 0.0318(9) Uani 1 1 d . . . . .
C42 C 0.2585(4) 0.7402(4) 0.3444(2) 0.0355(10) Uani 1 1 d . . . . .
H42 H 0.281352 0.668851 0.328239 0.043 Uiso 1 1 calc R U . . .
C40 C 0.1505(4) -0.3274(4) -0.0811(2) 0.0398(11) Uani 1 1 d . . . . .
H40 H 0.125747 -0.304830 -0.036611 0.048 Uiso 1 1 calc R U . . .
C15 C 0.6096(4) 0.6534(4) 0.1518(2) 0.0377(10) Uani 1 1 d . . . . .
H15 H 0.551177 0.604022 0.175445 0.045 Uiso 1 1 calc R U . . .
C30 C 0.7560(4) 0.3082(3) -0.1624(2) 0.0350(10) Uani 1 1 d . . . . .
H30 H 0.680568 0.322842 -0.184979 0.042 Uiso 1 1 calc R U . . .
C41 C 0.2664(4) 0.9190(4) 0.3909(2) 0.0385(10) Uani 1 1 d . . . . .
H41 H 0.298563 0.996251 0.412756 0.046 Uiso 1 1 calc R U . . .
C23 C 0.8379(4) 0.8910(4) 0.0360(2) 0.0363(10) Uani 1 1 d . . . . .
H23 H 0.845995 0.869820 -0.011630 0.044 Uiso 1 1 calc R U . . .
C6 C 0.7989(4) 0.6371(4) 0.7505(2) 0.0353(10) Uani 1 1 d . . . . .
C16 C 0.6308(4) 0.6151(4) 0.0821(2) 0.0367(10) Uani 1 1 d . . . . .
H16 H 0.589257 0.539433 0.061083 0.044 Uiso 1 1 calc R U . . .
C11 C 1.0495(4) 0.8822(4) 0.6364(2) 0.0409(11) Uani 1 1 d . . . . .
H11 H 1.131881 0.920820 0.656964 0.049 Uiso 1 1 calc R U . . .
C10 C 1.0098(4) 0.8966(4) 0.5675(2) 0.0391(11) Uani 1 1 d . . . . .
H10 H 1.067667 0.941842 0.541500 0.047 Uiso 1 1 calc R U . . .
C31 C 0.6323(4) 0.0070(3) -0.1572(2) 0.0362(10) Uani 1 1 d . . . . .
C12 C 0.9675(4) 0.8113(4) 0.6738(2) 0.0379(10) Uani 1 1 d . . . . .
H12 H 0.995273 0.801754 0.719681 0.045 Uiso 1 1 calc R U . . .
C54 C -0.3502(4) 0.1151(3) 0.4313(2) 0.0354(10) Uani 1 1 d . . . . .
H54 H -0.331428 0.091192 0.475116 0.042 Uiso 1 1 calc R U . . .
C13 C 0.6511(5) 0.7984(4) 0.2621(2) 0.0389(11) Uani 1 1 d . . . . .
C20 C 0.8159(5) 0.9591(4) 0.1780(2) 0.0434(11) Uani 1 1 d . . . . .
H20 H 0.810601 0.982383 0.225728 0.052 Uiso 1 1 calc R U . . .
C45 C -0.0451(4) 0.5951(4) 0.3541(2) 0.0364(10) Uani 1 1 d . . . . .
C22 C 0.8914(4) 1.0040(4) 0.0670(2) 0.0421(11) Uani 1 1 d . . . . .
H22 H 0.934329 1.058828 0.039977 0.051 Uiso 1 1 calc R U . . .
C53 C -0.2533(5) 0.3299(4) 0.4694(2) 0.0423(11) Uani 1 1 d . . . . .
H53A H -0.194091 0.303972 0.502609 0.051 Uiso 1 1 calc R U . . .
H53B H -0.317660 0.360639 0.495876 0.051 Uiso 1 1 calc R U . . .
C26 C 0.9406(4) 0.3322(4) -0.1024(2) 0.0468(12) Uani 1 1 d . . . . .
H26 H 1.018262 0.367569 -0.075349 0.056 Uiso 1 1 calc R U . . .
C48 C -0.1784(4) 0.4271(3) 0.4330(2) 0.0368(10) Uani 1 1 d . . . . .
C21 C 0.8823(5) 1.0380(4) 0.1385(2) 0.0479(12) Uani 1 1 d . . . . .
H21 H 0.921378 1.114440 0.159366 0.057 Uiso 1 1 calc R U . . .
C47 C -0.0495(4) 0.4285(4) 0.4195(2) 0.0398(10) Uani 1 1 d . . . . .
H47 H -0.006786 0.372699 0.436584 0.048 Uiso 1 1 calc R U . . .
C52 C -0.3617(5) 0.2251(4) 0.3494(3) 0.0536(14) Uani 1 1 d . . . . .
H52 H -0.354116 0.289999 0.324123 0.064 Uiso 1 1 calc R U . . .
C51 C -0.4168(5) 0.1128(4) 0.3241(3) 0.0555(14) Uani 1 1 d . . . . .
H51 H -0.454027 0.087161 0.277959 0.067 Uiso 1 1 calc R U . . .
C43 C 0.1409(5) 0.8728(4) 0.3694(2) 0.0450(11) Uani 1 1 d . . . . .
H43 H 0.070978 0.910271 0.374482 0.054 Uiso 1 1 calc R U . . .
C36 C 0.5320(5) 0.0392(4) -0.1218(2) 0.0448(11) Uani 1 1 d . . . . .
H36 H 0.516265 0.115465 -0.121969 0.054 Uiso 1 1 calc R U . . .
C44 C 0.0179(4) 0.6759(4) 0.3042(2) 0.0469(12) Uani 1 1 d . . . . .
H44A H 0.040994 0.628258 0.263860 0.056 Uiso 1 1 calc R U . . .
H44B H -0.044174 0.720493 0.286894 0.056 Uiso 1 1 calc R U . . .
C27 C 0.9007(5) 0.2145(4) -0.1244(3) 0.0478(12) Uani 1 1 d . . . . .
H27 H 0.944970 0.154886 -0.115206 0.057 Uiso 1 1 calc R U . . .
C32 C 0.6562(5) -0.1053(4) -0.1558(3) 0.0457(12) Uani 1 1 d . . . . .
H32 H 0.724928 -0.127089 -0.178453 0.055 Uiso 1 1 calc R U . . .
C33 C 0.5780(5) -0.1857(4) -0.1206(3) 0.0492(13) Uani 1 1 d . . . . .
H33 H 0.594029 -0.261982 -0.120645 0.059 Uiso 1 1 calc R U . . .
C46 C 0.0155(4) 0.5123(4) 0.3810(2) 0.0429(11) Uani 1 1 d . . . . .
H46 H 0.101916 0.512690 0.373197 0.051 Uiso 1 1 calc R U . . .
C35 C 0.4546(5) -0.0415(4) -0.0859(2) 0.0489(12) Uani 1 1 d . . . . .
H35 H 0.387343 -0.019153 -0.062047 0.059 Uiso 1 1 calc R U . . .
C34 C 0.4773(5) -0.1557(4) -0.0857(2) 0.0456(12) Uani 1 1 d . . . . .
C29 C 0.7082(5) 0.0904(4) -0.2022(2) 0.0535(13) Uani 1 1 d . . . . .
H29A H 0.767285 0.049407 -0.226966 0.064 Uiso 1 1 calc R U . . .
H29B H 0.647818 0.109984 -0.237518 0.064 Uiso 1 1 calc R U . . .
C50 C -0.1728(5) 0.5966(4) 0.3699(3) 0.0478(12) Uani 1 1 d . . . . .
H50 H -0.214735 0.653770 0.353914 0.057 Uiso 1 1 calc R U . . .
C49 C -0.2371(4) 0.5141(4) 0.4091(3) 0.0462(12) Uani 1 1 d . . . . .
H49 H -0.321542 0.517083 0.419597 0.055 Uiso 1 1 calc R U . . .
C39 C 0.1427(5) -0.3960(5) -0.1885(3) 0.0649(16) Uani 1 1 d . . . . .
H39 H 0.111859 -0.431531 -0.234239 0.078 Uiso 1 1 calc R U . . .
C37 C 0.3885(5) -0.2461(5) -0.0499(3) 0.0642(16) Uani 1 1 d . . . . .
H37A H 0.436118 -0.304686 -0.035501 0.077 Uiso 1 1 calc R U . . .
H37B H 0.361573 -0.206437 -0.007663 0.077 Uiso 1 1 calc R U . . .
C38 C 0.2695(5) -0.3493(6) -0.1666(3) 0.0762(19) Uani 1 1 d . . . . .
H38 H 0.340235 -0.346964 -0.193525 0.091 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
Co1 O7 1.983(3) . ?
Co1 O1 2.106(3) 1_554 ?
Co1 O2 2.289(3) 1_554 ?
Co1 N1 2.048(3) . ?
Co1 N4 2.081(3) 1_665 ?
Co2 O3 1.982(2) . ?
Co2 O6 1.998(3) . ?
Co2 N5 2.084(3) 1_665 ?
Co2 N8 2.046(3) . ?
O3 C1 1.278(4) . ?
O7 C25 1.274(5) . ?
O4 C1 1.229(4) . ?
O8 C25 1.235(5) . ?
O6 C13 1.266(5) . ?
O1 C6 1.248(5) . ?
N5 C54 1.325(5) . ?
N5 C51 1.355(5) . ?
N8 C42 1.313(5) . ?
N8 C41 1.383(5) . ?
O2 C6 1.246(5) . ?
O5 C13 1.224(5) . ?
N1 C30 1.317(5) . ?
N1 C26 1.372(5) . ?
N4 C40 1.326(5) . ?
N4 C39 1.342(6) . ?
N2 C30 1.333(5) . ?
N2 C27 1.358(5) . ?
N2 C29 1.459(5) . ?
N6 C54 1.341(5) . ?
N6 C53 1.474(5) . ?
N6 C52 1.343(6) . ?
N3 C40 1.318(5) . ?
N3 C37 1.477(5) . ?
N3 C38 1.355(6) . ?
N7 C42 1.350(5) . ?
N7 C43 1.360(5) . ?
N7 C44 1.480(5) . ?
C2 C1 1.505(5) . ?
C2 C8 1.432(5) . ?
C2 C3 1.363(5) . ?
C8 C7 1.427(5) . ?
C8 C9 1.417(5) . ?
C7 C5 1.429(5) . ?
C7 C12 1.421(5) . ?
C18 C24 1.429(5) . ?
C18 C19 1.424(5) . ?
C18 C23 1.421(5) . ?
C24 C25 1.503(5) . ?
C24 C16 1.368(5) . ?
C5 C4 1.354(5) . ?
C5 C6 1.511(5) . ?
C3 H3 0.9300 . ?
C3 C4 1.408(5) . ?
C4 H4 0.9300 . ?
C14 C19 1.432(5) . ?
C14 C15 1.367(6) . ?
C14 C13 1.521(5) . ?
C19 C20 1.418(6) . ?
C9 H9 0.9300 . ?
C9 C10 1.359(6) . ?
C42 H42 0.9300 . ?
C40 H40 0.9300 . ?
C15 H15 0.9300 . ?
C15 C16 1.402(6) . ?
C30 H30 0.9300 . ?
C41 H41 0.9300 . ?
C41 C43 1.339(6) . ?
C23 H23 0.9300 . ?
C23 C22 1.366(6) . ?
C16 H16 0.9300 . ?
C11 H11 0.9300 . ?
C11 C10 1.389(6) . ?
C11 C12 1.365(6) . ?
C10 H10 0.9300 . ?
C31 C36 1.379(6) . ?
C31 C32 1.374(6) . ?
C31 C29 1.511(6) . ?
C12 H12 0.9300 . ?
C54 H54 0.9300 . ?
C20 H20 0.9300 . ?
C20 C21 1.366(6) . ?
C45 C44 1.504(6) . ?
C45 C46 1.376(6) . ?
C45 C50 1.400(6) . ?
C22 H22 0.9300 . ?
C22 C21 1.394(6) . ?
C53 H53A 0.9700 . ?
C53 H53B 0.9700 . ?
C53 C48 1.507(6) . ?
C26 H26 0.9300 . ?
C26 C27 1.352(6) . ?
C48 C47 1.394(6) . ?
C48 C49 1.382(6) . ?
C21 H21 0.9300 . ?
C47 H47 0.9300 . ?
C47 C46 1.384(6) . ?
C52 H52 0.9300 . ?
C52 C51 1.335(6) . ?
C51 H51 0.9300 . ?
C43 H43 0.9300 . ?
C36 H36 0.9300 . ?
C36 C35 1.387(6) . ?
C44 H44A 0.9700 . ?
C44 H44B 0.9700 . ?
C27 H27 0.9300 . ?
C32 H32 0.9300 . ?
C32 C33 1.381(6) . ?
C33 H33 0.9300 . ?
C33 C34 1.370(7) . ?
C46 H46 0.9300 . ?
C35 H35 0.9300 . ?
C35 C34 1.388(7) . ?
C34 C37 1.515(6) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C50 H50 0.9300 . ?
C50 C49 1.379(6) . ?
C49 H49 0.9300 . ?
C39 H39 0.9300 . ?
C39 C38 1.354(7) . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
C38 H38 0.9300 . ?

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
O7 Co1 O1 145.18(13) . 1_554 ?
O7 Co1 O2 96.47(12) . 1_554 ?
O7 Co1 N1 111.94(13) . . ?
O7 Co1 N4 95.52(13) . 1_665 ?
O1 Co1 O2 58.84(11) 1_554 1_554 ?
N1 Co1 O1 90.60(12) . 1_554 ?
N1 Co1 O2 149.36(12) . 1_554 ?
N1 Co1 N4 99.14(13) . 1_665 ?
N4 Co1 O1 107.10(13) 1_665 1_554 ?
N4 Co1 O2 88.90(13) 1_665 1_554 ?
O3 Co2 O6 137.51(13) . . ?
O3 Co2 N5 95.60(12) . 1_665 ?
O3 Co2 N8 115.08(12) . . ?
O6 Co2 N5 108.24(13) . 1_665 ?
O6 Co2 N8 94.99(13) . . ?
N8 Co2 N5 100.45(13) . 1_665 ?
C1 O3 Co2 103.4(2) . . ?
C25 O7 Co1 105.0(2) . . ?
C13 O6 Co2 104.5(3) . . ?
C6 O1 Co1 94.5(3) . 1_556 ?
C54 N5 Co2 122.9(3) . 1_445 ?
C54 N5 C51 104.0(3) . . ?
C51 N5 Co2 132.8(3) . 1_445 ?
C42 N8 Co2 123.8(3) . . ?
C42 N8 C41 105.2(3) . . ?
C41 N8 Co2 129.1(3) . . ?
C6 O2 Co1 86.1(3) . 1_556 ?
C30 N1 Co1 123.6(3) . . ?
C30 N1 C26 105.1(3) . . ?
C26 N1 Co1 129.0(3) . . ?
C40 N4 Co1 125.3(3) . 1_445 ?
C40 N4 C39 104.1(4) . . ?
C39 N4 Co1 130.5(3) . 1_445 ?
C30 N2 C27 107.1(3) . . ?
C30 N2 C29 126.2(4) . . ?
C27 N2 C29 126.4(4) . . ?
C54 N6 C53 125.0(4) . . ?
C54 N6 C52 105.4(4) . . ?
C52 N6 C53 129.5(4) . . ?
C40 N3 C37 126.7(4) . . ?
C40 N3 C38 106.9(4) . . ?
C38 N3 C37 126.4(4) . . ?
C42 N7 C43 107.5(4) . . ?
C42 N7 C44 126.8(4) . . ?
C43 N7 C44 125.8(4) . . ?
C8 C2 C1 122.3(3) . . ?
C3 C2 C1 118.4(3) . . ?
C3 C2 C8 119.2(3) . . ?
O3 C1 C2 116.9(3) . . ?
O4 C1 O3 121.8(3) . . ?
O4 C1 C2 121.3(3) . . ?
C7 C8 C2 119.1(3) . . ?
C9 C8 C2 122.1(3) . . ?
C9 C8 C7 118.6(3) . . ?
C8 C7 C5 118.9(3) . . ?
C12 C7 C8 117.9(3) . . ?
C12 C7 C5 123.0(3) . . ?
C19 C18 C24 119.5(3) . . ?
C23 C18 C24 122.5(3) . . ?
C23 C18 C19 117.9(3) . . ?
C18 C24 C25 122.2(3) . . ?
C16 C24 C18 119.2(4) . . ?
C16 C24 C25 118.4(3) . . ?
C7 C5 C6 121.4(3) . . ?
C4 C5 C7 119.8(3) . . ?
C4 C5 C6 118.7(4) . . ?
C2 C3 H3 119.4 . . ?
C2 C3 C4 121.2(4) . . ?
C4 C3 H3 119.4 . . ?
C5 C4 C3 121.2(4) . . ?
C5 C4 H4 119.4 . . ?
C3 C4 H4 119.4 . . ?
C19 C14 C13 120.7(4) . . ?
C15 C14 C19 119.6(4) . . ?
C15 C14 C13 119.6(4) . . ?
C18 C19 C14 118.8(3) . . ?
C20 C19 C18 118.8(4) . . ?
C20 C19 C14 122.3(4) . . ?
C8 C9 H9 119.5 . . ?
C10 C9 C8 121.0(4) . . ?
C10 C9 H9 119.5 . . ?
O7 C25 C24 116.6(3) . . ?
O8 C25 O7 121.8(4) . . ?
O8 C25 C24 121.6(4) . . ?
N8 C42 N7 111.0(4) . . ?
N8 C42 H42 124.5 . . ?
N7 C42 H42 124.5 . . ?
N4 C40 H40 123.8 . . ?
N3 C40 N4 112.4(4) . . ?
N3 C40 H40 123.8 . . ?
C14 C15 H15 119.4 . . ?
C14 C15 C16 121.2(4) . . ?
C16 C15 H15 119.4 . . ?
N1 C30 N2 111.8(4) . . ?
N1 C30 H30 124.1 . . ?
N2 C30 H30 124.1 . . ?
N8 C41 H41 125.0 . . ?
C43 C41 N8 109.9(4) . . ?
C43 C41 H41 125.0 . . ?
C18 C23 H23 119.4 . . ?
C22 C23 C18 121.2(4) . . ?
C22 C23 H23 119.4 . . ?
O1 C6 C5 118.3(4) . . ?
O2 C6 O1 120.5(4) . . ?
O2 C6 C5 121.2(4) . . ?
C24 C16 C15 121.3(4) . . ?
C24 C16 H16 119.4 . . ?
C15 C16 H16 119.4 . . ?
C10 C11 H11 120.0 . . ?
C12 C11 H11 120.0 . . ?
C12 C11 C10 119.9(4) . . ?
C9 C10 C11 121.0(4) . . ?
C9 C10 H10 119.5 . . ?
C11 C10 H10 119.5 . . ?
C36 C31 C29 120.5(4) . . ?
C32 C31 C36 119.4(4) . . ?
C32 C31 C29 119.9(4) . . ?
C7 C12 H12 119.2 . . ?
C11 C12 C7 121.5(4) . . ?
C11 C12 H12 119.2 . . ?
N5 C54 N6 112.4(4) . . ?
N5 C54 H54 123.8 . . ?
N6 C54 H54 123.8 . . ?
O6 C13 C14 115.4(4) . . ?
O5 C13 O6 123.1(4) . . ?
O5 C13 C14 121.4(4) . . ?
C19 C20 H20 119.4 . . ?
C21 C20 C19 121.2(4) . . ?
C21 C20 H20 119.4 . . ?
C46 C45 C44 121.9(4) . . ?
C46 C45 C50 118.1(4) . . ?
C50 C45 C44 119.9(4) . . ?
C23 C22 H22 119.6 . . ?
C23 C22 C21 120.8(4) . . ?
C21 C22 H22 119.6 . . ?
N6 C53 H53A 109.4 . . ?
N6 C53 H53B 109.4 . . ?
N6 C53 C48 111.0(3) . . ?
H53A C53 H53B 108.0 . . ?
C48 C53 H53A 109.4 . . ?
C48 C53 H53B 109.4 . . ?
N1 C26 H26 125.3 . . ?
C27 C26 N1 109.4(4) . . ?
C27 C26 H26 125.3 . . ?
C47 C48 C53 120.8(4) . . ?
C49 C48 C53 121.0(4) . . ?
C49 C48 C47 118.1(4) . . ?
C20 C21 C22 119.9(4) . . ?
C20 C21 H21 120.0 . . ?
C22 C21 H21 120.0 . . ?
C48 C47 H47 119.7 . . ?
C46 C47 C48 120.5(4) . . ?
C46 C47 H47 119.7 . . ?
N6 C52 H52 126.0 . . ?
C51 C52 N6 108.0(4) . . ?
C51 C52 H52 126.0 . . ?
N5 C51 H51 124.9 . . ?
C52 C51 N5 110.1(4) . . ?
C52 C51 H51 124.9 . . ?
N7 C43 H43 126.8 . . ?
C41 C43 N7 106.4(4) . . ?
C41 C43 H43 126.8 . . ?
C31 C36 H36 119.8 . . ?
C31 C36 C35 120.5(4) . . ?
C35 C36 H36 119.8 . . ?
N7 C44 C45 112.2(4) . . ?
N7 C44 H44A 109.2 . . ?
N7 C44 H44B 109.2 . . ?
C45 C44 H44A 109.2 . . ?
C45 C44 H44B 109.2 . . ?
H44A C44 H44B 107.9 . . ?
N2 C27 H27 126.7 . . ?
C26 C27 N2 106.5(4) . . ?
C26 C27 H27 126.7 . . ?
C31 C32 H32 120.0 . . ?
C31 C32 C33 120.0(5) . . ?
C33 C32 H32 120.0 . . ?
C32 C33 H33 119.3 . . ?
C34 C33 C32 121.4(4) . . ?
C34 C33 H33 119.3 . . ?
C45 C46 C47 121.3(4) . . ?
C45 C46 H46 119.3 . . ?
C47 C46 H46 119.3 . . ?
C36 C35 H35 120.0 . . ?
C36 C35 C34 120.1(5) . . ?
C34 C35 H35 120.0 . . ?
C33 C34 C35 118.7(4) . . ?
C33 C34 C37 121.1(5) . . ?
C35 C34 C37 120.2(5) . . ?
N2 C29 C31 114.2(4) . . ?
N2 C29 H29A 108.7 . . ?
N2 C29 H29B 108.7 . . ?
C31 C29 H29A 108.7 . . ?
C31 C29 H29B 108.7 . . ?
H29A C29 H29B 107.6 . . ?
C45 C50 H50 119.7 . . ?
C49 C50 C45 120.5(4) . . ?
C49 C50 H50 119.7 . . ?
C48 C49 H49 119.4 . . ?
C50 C49 C48 121.3(4) . . ?
C50 C49 H49 119.4 . . ?
N4 C39 H39 124.6 . . ?
N4 C39 C38 110.9(4) . . ?
C38 C39 H39 124.6 . . ?
N3 C37 C34 111.5(4) . . ?
N3 C37 H37A 109.3 . . ?
N3 C37 H37B 109.3 . . ?
C34 C37 H37A 109.3 . . ?
C34 C37 H37B 109.3 . . ?
H37A C37 H37B 108.0 . . ?
N3 C38 H38 127.2 . . ?
C39 C38 N3 105.6(4) . . ?
C39 C38 H38 127.2 . . ?

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
Co1 O7 C25 O8 -2.2(5) . . . . ?
Co1 O7 C25 C24 175.7(3) . . . . ?
Co1 O1 C6 O2 -1.7(4) 1_556 . . . ?
Co1 O1 C6 C5 177.7(3) 1_556 . . . ?
Co1 O2 C6 O1 1.6(4) 1_556 . . . ?
Co1 O2 C6 C5 -177.9(4) 1_556 . . . ?
Co1 N1 C30 N2 164.3(3) . . . . ?
Co1 N1 C26 C27 -163.2(3) . . . . ?
Co1 N4 C40 N3 -178.6(3) 1_445 . . . ?
Co1 N4 C39 C38 177.9(4) 1_445 . . . ?
Co2 O3 C1 O4 -3.9(4) . . . . ?
Co2 O3 C1 C2 179.8(3) . . . . ?
Co2 O6 C13 O5 8.4(5) . . . . ?
Co2 O6 C13 C14 -172.5(3) . . . . ?
Co2 N5 C54 N6 175.5(3) 1_445 . . . ?
Co2 N5 C51 C52 -174.6(4) 1_445 . . . ?
Co2 N8 C42 N7 -165.3(3) . . . . ?
Co2 N8 C41 C43 165.5(3) . . . . ?
N8 C41 C43 N7 -1.8(5) . . . . ?
N1 C26 C27 N2 0.2(5) . . . . ?
N4 C39 C38 N3 -0.2(7) . . . . ?
N6 C53 C48 C47 -88.6(5) . . . . ?
N6 C53 C48 C49 88.3(5) . . . . ?
N6 C52 C51 N5 -0.1(6) . . . . ?
C2 C8 C7 C5 4.7(5) . . . . ?
C2 C8 C7 C12 179.8(3) . . . . ?
C2 C8 C9 C10 -177.1(4) . . . . ?
C2 C3 C4 C5 2.4(6) . . . . ?
C1 C2 C8 C7 170.0(3) . . . . ?
C1 C2 C8 C9 -15.1(6) . . . . ?
C1 C2 C3 C4 -173.5(4) . . . . ?
C8 C2 C1 O3 -36.1(5) . . . . ?
C8 C2 C1 O4 147.6(4) . . . . ?
C8 C2 C3 C4 4.7(6) . . . . ?
C8 C7 C5 C4 2.2(6) . . . . ?
C8 C7 C5 C6 179.4(3) . . . . ?
C8 C7 C12 C11 -3.4(6) . . . . ?
C8 C9 C10 C11 -1.8(6) . . . . ?
C7 C8 C9 C10 -2.2(6) . . . . ?
C7 C5 C4 C3 -5.8(6) . . . . ?
C7 C5 C6 O1 -134.1(4) . . . . ?
C7 C5 C6 O2 45.4(6) . . . . ?
C18 C24 C25 O7 38.9(5) . . . . ?
C18 C24 C25 O8 -143.2(4) . . . . ?
C18 C24 C16 C15 -3.0(6) . . . . ?
C18 C19 C20 C21 3.7(7) . . . . ?
C18 C23 C22 C21 0.8(7) . . . . ?
C24 C18 C19 C14 -4.2(6) . . . . ?
C24 C18 C19 C20 178.7(4) . . . . ?
C24 C18 C23 C22 179.0(4) . . . . ?
C5 C7 C12 C11 171.5(4) . . . . ?
C3 C2 C1 O3 142.0(4) . . . . ?
C3 C2 C1 O4 -34.3(5) . . . . ?
C3 C2 C8 C7 -8.1(5) . . . . ?
C3 C2 C8 C9 166.8(4) . . . . ?
C4 C5 C6 O1 43.2(6) . . . . ?
C4 C5 C6 O2 -137.3(4) . . . . ?
C14 C19 C20 C21 -173.2(4) . . . . ?
C14 C15 C16 C24 -2.9(7) . . . . ?
C19 C18 C24 C25 -169.0(4) . . . . ?
C19 C18 C24 C16 6.5(6) . . . . ?
C19 C18 C23 C22 2.6(6) . . . . ?
C19 C14 C15 C16 5.2(6) . . . . ?
C19 C14 C13 O6 130.1(4) . . . . ?
C19 C14 C13 O5 -50.7(6) . . . . ?
C19 C20 C21 C22 -0.3(8) . . . . ?
C9 C8 C7 C5 -170.4(3) . . . . ?
C9 C8 C7 C12 4.7(5) . . . . ?
C25 C24 C16 C15 172.7(4) . . . . ?
C42 N8 C41 C43 0.9(5) . . . . ?
C42 N7 C43 C41 1.9(5) . . . . ?
C42 N7 C44 C45 86.6(5) . . . . ?
C40 N4 C39 C38 1.1(6) . . . . ?
C40 N3 C37 C34 -134.6(5) . . . . ?
C40 N3 C38 C39 -0.7(7) . . . . ?
C15 C14 C19 C18 -1.6(6) . . . . ?
C15 C14 C19 C20 175.4(4) . . . . ?
C15 C14 C13 O6 -46.7(5) . . . . ?
C15 C14 C13 O5 132.5(4) . . . . ?
C30 N1 C26 C27 -0.3(5) . . . . ?
C30 N2 C27 C26 -0.1(5) . . . . ?
C30 N2 C29 C31 -107.5(5) . . . . ?
C41 N8 C42 N7 0.3(5) . . . . ?
C23 C18 C24 C25 14.6(6) . . . . ?
C23 C18 C24 C16 -169.8(4) . . . . ?
C23 C18 C19 C14 172.3(4) . . . . ?
C23 C18 C19 C20 -4.8(6) . . . . ?
C23 C22 C21 C20 -2.0(7) . . . . ?
C6 C5 C4 C3 176.9(4) . . . . ?
C16 C24 C25 O7 -136.7(4) . . . . ?
C16 C24 C25 O8 41.2(6) . . . . ?
C10 C11 C12 C7 -0.5(7) . . . . ?
C31 C36 C35 C34 -0.2(7) . . . . ?
C31 C32 C33 C34 -1.1(7) . . . . ?
C12 C7 C5 C4 -172.6(4) . . . . ?
C12 C7 C5 C6 4.6(6) . . . . ?
C12 C11 C10 C9 3.2(7) . . . . ?
C54 N5 C51 C52 -0.1(6) . . . . ?
C54 N6 C53 C48 153.3(4) . . . . ?
C54 N6 C52 C51 0.2(6) . . . . ?
C13 C14 C19 C18 -178.4(4) . . . . ?
C13 C14 C19 C20 -1.5(6) . . . . ?
C13 C14 C15 C16 -177.9(4) . . . . ?
C45 C50 C49 C48 -0.8(7) . . . . ?
C53 N6 C54 N5 179.1(4) . . . . ?
C53 N6 C52 C51 -179.1(5) . . . . ?
C53 C48 C47 C46 174.7(4) . . . . ?
C53 C48 C49 C50 -173.8(4) . . . . ?
C26 N1 C30 N2 0.2(5) . . . . ?
C48 C47 C46 C45 -1.0(7) . . . . ?
C47 C48 C49 C50 3.2(7) . . . . ?
C52 N6 C54 N5 -0.3(5) . . . . ?
C52 N6 C53 C48 -27.5(7) . . . . ?
C51 N5 C54 N6 0.2(5) . . . . ?
C43 N7 C42 N8 -1.4(5) . . . . ?
C43 N7 C44 C45 -94.4(5) . . . . ?
C36 C31 C32 C33 1.6(7) . . . . ?
C36 C31 C29 N2 64.9(6) . . . . ?
C36 C35 C34 C33 0.8(7) . . . . ?
C36 C35 C34 C37 -176.8(4) . . . . ?
C44 N7 C42 N8 177.8(4) . . . . ?
C44 N7 C43 C41 -177.3(4) . . . . ?
C44 C45 C46 C47 -171.7(4) . . . . ?
C44 C45 C50 C49 172.7(4) . . . . ?
C27 N2 C30 N1 -0.1(5) . . . . ?
C27 N2 C29 C31 79.7(6) . . . . ?
C32 C31 C36 C35 -1.0(7) . . . . ?
C32 C31 C29 N2 -120.2(5) . . . . ?
C32 C33 C34 C35 -0.1(7) . . . . ?
C32 C33 C34 C37 177.4(4) . . . . ?
C33 C34 C37 N3 -92.8(6) . . . . ?
C46 C45 C44 N7 -65.8(6) . . . . ?
C46 C45 C50 C49 -2.5(7) . . . . ?
C35 C34 C37 N3 84.6(6) . . . . ?
C29 N2 C30 N1 -174.1(4) . . . . ?
C29 N2 C27 C26 173.9(4) . . . . ?
C29 C31 C36 C35 173.9(4) . . . . ?
C29 C31 C32 C33 -173.3(4) . . . . ?
C50 C45 C44 N7 119.2(5) . . . . ?
C50 C45 C46 C47 3.4(7) . . . . ?
C49 C48 C47 C46 -2.3(6) . . . . ?
C39 N4 C40 N3 -1.5(5) . . . . ?
C37 N3 C40 N4 -179.8(4) . . . . ?
C37 N3 C38 C39 -179.5(5) . . . . ?
C38 N3 C40 N4 1.4(6) . . . . ?
C38 N3 C37 C34 43.9(8) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
