# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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 2085411'
_audit_update_record             
;
2021-05-23 deposited with the CCDC.	2021-12-03 downloaded from the CCDC.
;
_audit_creation_date             2021-05-08
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C28 H16 Cl4 Co N4 O2'
_chemical_formula_sum            'C28 H16 Cl4 Co N4 O2'
_chemical_formula_weight         641.18
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   9.5667(6)
_cell_length_b                   18.9885(12)
_cell_length_c                   14.5915(9)
_cell_angle_alpha                90
_cell_angle_beta                 96.065(2)
_cell_angle_gamma                90
_cell_volume                     2635.8(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7719
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      34.39
_cell_measurement_theta_min      2.39
_shelx_estimated_absorpt_T_max   0.937
_shelx_estimated_absorpt_T_min   0.663
_exptl_absorpt_coefficient_mu    1.092
_exptl_absorpt_correction_T_max  0.937
_exptl_absorpt_correction_T_min  0.663
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.616
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1292
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0396
_diffrn_reflns_av_unetI/netI     0.0397
_diffrn_reflns_Laue_measured_fraction_full 0.965
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            15448
_diffrn_reflns_point_group_measured_fraction_full 0.965
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.573
_diffrn_reflns_theta_min         2.564
_diffrn_ambient_temperature      153.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           40.0
_diffrn_source_power             2.0
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3710
_reflns_number_total             4687
_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 v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_refine_diff_density_max         0.660
_refine_diff_density_min         -0.418
_refine_diff_density_rms         0.089
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     178
_refine_ls_number_reflns         4687
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0560
_refine_ls_R_factor_gt           0.0403
_refine_ls_restrained_S_all      1.019
_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)+(0.0705P)²+2.9299P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1125
_refine_ls_wR_factor_ref         0.1258
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C5(H5), C7(H7), C8(H8), C9(H9), C10(H10), C11(H11), C13(H13), C14(H14)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.500000 0.500000 0.500000 0.01478(9) Uani 1 2 d S . P . .
Cl1 Cl 0.30887(7) 0.30337(3) 0.68449(4) 0.03952(16) Uani 1 1 d . . . . .
O1 O 0.41436(13) 0.42282(6) 0.57546(8) 0.0178(2) Uani 1 1 d . . . . .
N1 N 0.56457(16) 0.40989(8) 0.43129(10) 0.0197(3) Uani 1 1 d . . . . .
C1 C 0.44483(17) 0.35971(8) 0.54952(11) 0.0167(3) Uani 1 1 d . . . . .
Cl2 Cl 0.55818(7) 0.13890(2) 0.45102(4) 0.04144(16) Uani 1 1 d . . . . .
N2 N 0.69184(15) 0.49636(7) 0.59375(10) 0.0171(3) Uani 1 1 d . . . . .
C2 C 0.52541(17) 0.34948(8) 0.47262(11) 0.0175(3) Uani 1 1 d . . . . .
C3 C 0.5624(2) 0.28234(9) 0.44056(12) 0.0238(3) Uani 1 1 d . . . . .
C4 C 0.5173(2) 0.22280(9) 0.48723(13) 0.0273(4) Uani 1 1 d . . . . .
C5 C 0.4398(2) 0.23063(9) 0.56051(14) 0.0286(4) Uani 1 1 d . . . . .
H5 H 0.409554 0.190052 0.590977 0.034 Uiso 1 1 calc R U . . .
C6 C 0.4047(2) 0.29789(9) 0.59113(13) 0.0235(3) Uani 1 1 d . . . . .
C7 C 0.6414(2) 0.27954(11) 0.36418(14) 0.0336(5) Uani 1 1 d . . . . .
H7 H 0.668083 0.235425 0.340722 0.040 Uiso 1 1 calc R U . . .
C8 C 0.6792(3) 0.34107(12) 0.32414(15) 0.0377(5) Uani 1 1 d . . . . .
H8 H 0.732501 0.339986 0.272809 0.045 Uiso 1 1 calc R U . . .
C9 C 0.6384(2) 0.40546(11) 0.35969(13) 0.0290(4) Uani 1 1 d . . . . .
H9 H 0.664746 0.447742 0.331264 0.035 Uiso 1 1 calc R U . . .
C10 C 0.81119(19) 0.52589(9) 0.57132(12) 0.0209(3) Uani 1 1 d . . . . .
H10 H 0.810906 0.547528 0.512604 0.025 Uiso 1 1 calc R U . . .
C11 C 0.93495(18) 0.52613(9) 0.63032(12) 0.0205(3) Uani 1 1 d . . . . .
H11 H 1.017916 0.546707 0.611658 0.025 Uiso 1 1 calc R U . . .
C12 C 0.93569(18) 0.49575(8) 0.71729(11) 0.0164(3) Uani 1 1 d . . . . .
C13 C 0.81206(18) 0.46512(9) 0.74053(11) 0.0191(3) Uani 1 1 d . . . . .
H13 H 0.808742 0.443925 0.799231 0.023 Uiso 1 1 calc R U . . .
C14 C 0.69394(18) 0.46598(9) 0.67688(11) 0.0195(3) Uani 1 1 d . . . . .
H14 H 0.610591 0.444052 0.692821 0.023 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 O1 2.0548(12) . ?
Co1 O1 2.0548(12) 5_666 ?
Co1 N1 2.1084(15) . ?
Co1 N1 2.1084(15) 5_666 ?
Co1 N2 2.1711(14) . ?
Co1 N2 2.1711(14) 5_666 ?
Cl1 C6 1.7238(18) . ?
O1 C1 1.2991(19) . ?
N1 C2 1.367(2) . ?
N1 C9 1.324(2) . ?
C1 C2 1.440(2) . ?
C1 C6 1.394(2) . ?
Cl2 C4 1.7362(18) . ?
N2 C10 1.343(2) . ?
N2 C14 1.341(2) . ?
C2 C3 1.416(2) . ?
C3 C4 1.411(3) . ?
C3 C7 1.412(2) . ?
C4 C5 1.372(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.405(2) . ?
C7 H7 0.9500 . ?
C7 C8 1.372(3) . ?
C8 H8 0.9500 . ?
C8 C9 1.400(3) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C10 C11 1.388(2) . ?
C11 H11 0.9500 . ?
C11 C12 1.393(2) . ?
C12 C12 1.475(3) 2_756 ?
C12 C13 1.392(2) . ?
C13 H13 0.9500 . ?
C13 C14 1.385(2) . ?
C14 H14 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
O1 Co1 O1 180.0 . 5_666 ?
O1 Co1 N1 80.18(5) 5_666 5_666 ?
O1 Co1 N1 99.82(5) . 5_666 ?
O1 Co1 N1 99.82(5) 5_666 . ?
O1 Co1 N1 80.18(5) . . ?
O1 Co1 N2 90.11(5) 5_666 . ?
O1 Co1 N2 89.89(5) . . ?
O1 Co1 N2 89.89(5) 5_666 5_666 ?
O1 Co1 N2 90.11(5) . 5_666 ?
N1 Co1 N1 180.0 . 5_666 ?
N1 Co1 N2 89.82(5) . 5_666 ?
N1 Co1 N2 90.18(5) . . ?
N1 Co1 N2 89.82(5) 5_666 . ?
N1 Co1 N2 90.18(5) 5_666 5_666 ?
N2 Co1 N2 180.0 . 5_666 ?
C1 O1 Co1 112.79(10) . . ?
C2 N1 Co1 111.32(11) . . ?
C9 N1 Co1 129.37(13) . . ?
C9 N1 C2 119.26(15) . . ?
O1 C1 C2 120.42(14) . . ?
O1 C1 C6 124.71(15) . . ?
C6 C1 C2 114.86(14) . . ?
C10 N2 Co1 121.13(11) . . ?
C14 N2 Co1 120.95(11) . . ?
C14 N2 C10 117.90(15) . . ?
N1 C2 C1 115.15(14) . . ?
N1 C2 C3 121.35(15) . . ?
C3 C2 C1 123.50(15) . . ?
C4 C3 C2 117.52(15) . . ?
C7 C3 C2 117.91(16) . . ?
C7 C3 C4 124.57(17) . . ?
C3 C4 Cl2 119.87(14) . . ?
C5 C4 Cl2 119.63(14) . . ?
C5 C4 C3 120.50(16) . . ?
C4 C5 H5 119.6 . . ?
C4 C5 C6 120.88(16) . . ?
C6 C5 H5 119.6 . . ?
C1 C6 Cl1 119.16(13) . . ?
C1 C6 C5 122.74(16) . . ?
C5 C6 Cl1 118.10(13) . . ?
C3 C7 H7 120.3 . . ?
C8 C7 C3 119.41(18) . . ?
C8 C7 H7 120.3 . . ?
C7 C8 H8 120.3 . . ?
C7 C8 C9 119.33(17) . . ?
C9 C8 H8 120.3 . . ?
N1 C9 C8 122.74(17) . . ?
N1 C9 H9 118.6 . . ?
C8 C9 H9 118.6 . . ?
N2 C10 H10 118.6 . . ?
N2 C10 C11 122.79(15) . . ?
C11 C10 H10 118.6 . . ?
C10 C11 H11 120.5 . . ?
C10 C11 C12 119.03(16) . . ?
C12 C11 H11 120.5 . . ?
C11 C12 C12 120.86(17) . 2_756 ?
C13 C12 C11 118.18(15) . . ?
C13 C12 C12 120.96(16) . 2_756 ?
C12 C13 H13 120.5 . . ?
C14 C13 C12 119.07(15) . . ?
C14 C13 H13 120.5 . . ?
N2 C14 C13 123.00(15) . . ?
N2 C14 H14 118.5 . . ?
C13 C14 H14 118.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Co1 O1 C1 C2 -2.6(2) . . . . ?
Co1 O1 C1 C6 177.49(14) . . . . ?
Co1 N1 C2 C1 2.74(19) . . . . ?
Co1 N1 C2 C3 -177.46(14) . . . . ?
Co1 N1 C9 C8 176.83(17) . . . . ?
Co1 N2 C10 C11 178.39(13) . . . . ?
Co1 N2 C14 C13 -177.07(13) . . . . ?
O1 C1 C2 N1 -0.2(2) . . . . ?
O1 C1 C2 C3 -179.98(16) . . . . ?
O1 C1 C6 Cl1 -0.5(3) . . . . ?
O1 C1 C6 C5 179.83(19) . . . . ?
N1 C2 C3 C4 -179.85(18) . . . . ?
N1 C2 C3 C7 0.0(3) . . . . ?
C1 C2 C3 C4 -0.1(3) . . . . ?
C1 C2 C3 C7 179.76(18) . . . . ?
Cl2 C4 C5 C6 -179.78(17) . . . . ?
N2 C10 C11 C12 -1.3(3) . . . . ?
C2 N1 C9 C8 -0.3(3) . . . . ?
C2 C1 C6 Cl1 179.54(14) . . . . ?
C2 C1 C6 C5 -0.1(3) . . . . ?
C2 C3 C4 Cl2 179.62(15) . . . . ?
C2 C3 C4 C5 0.3(3) . . . . ?
C2 C3 C7 C8 0.0(3) . . . . ?
C3 C4 C5 C6 -0.5(4) . . . . ?
C3 C7 C8 C9 -0.2(4) . . . . ?
C4 C3 C7 C8 179.9(2) . . . . ?
C4 C5 C6 Cl1 -179.28(18) . . . . ?
C4 C5 C6 C1 0.4(3) . . . . ?
C6 C1 C2 N1 179.75(16) . . . . ?
C6 C1 C2 C3 0.0(3) . . . . ?
C7 C3 C4 Cl2 -0.2(3) . . . . ?
C7 C3 C4 C5 -179.5(2) . . . . ?
C7 C8 C9 N1 0.3(4) . . . . ?
C9 N1 C2 C1 -179.66(17) . . . . ?
C9 N1 C2 C3 0.1(3) . . . . ?
C10 N2 C14 C13 1.4(2) . . . . ?
C10 C11 C12 C12 -179.10(14) . . . 2_756 ?
C10 C11 C12 C13 1.2(2) . . . . ?
C11 C12 C13 C14 0.0(2) . . . . ?
C12 C12 C13 C14 -179.68(13) 2_756 . . . ?
C12 C13 C14 N2 -1.3(3) . . . . ?
C14 N2 C10 C11 0.0(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2
_database_code_depnum_ccdc_archive 'CCDC 2085412'
_audit_update_record             
;
2021-05-23 deposited with the CCDC.	2021-12-03 downloaded from the CCDC.
;
_audit_creation_date             2021-05-23
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C62 H34 Cl8 Co2 N8 O4'
_chemical_formula_sum            'C62 H34 Cl8 Co2 N8 O4'
_chemical_formula_weight         1356.43
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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                   13.1978(6)
_cell_length_b                   14.2062(6)
_cell_length_c                   16.6293(7)
_cell_angle_alpha                106.618(2)
_cell_angle_beta                 91.972(2)
_cell_angle_gamma                93.195(2)
_cell_volume                     2978.8(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9973
_cell_measurement_temperature    111.98
_cell_measurement_theta_max      2.23
_cell_measurement_theta_min      27.09
_shelx_estimated_absorpt_T_max   0.935
_shelx_estimated_absorpt_T_min   0.727
_exptl_absorpt_coefficient_mu    0.971
_exptl_absorpt_correction_T_max  0.935
_exptl_absorpt_correction_T_min  0.727
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.512
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1368
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.07
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1072
_diffrn_reflns_av_unetI/netI     0.1045
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            44458
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.153
_diffrn_reflns_theta_min         2.235
_diffrn_ambient_temperature      111.98
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.2
_diffrn_source_power             0.0576
_diffrn_source_voltage           48.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8610
_reflns_number_total             13189
_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  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         1.005
_refine_diff_density_min         -0.975
_refine_diff_density_rms         0.104
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     757
_refine_ls_number_reflns         13189
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.1078
_refine_ls_R_factor_gt           0.0624
_refine_ls_restrained_S_all      1.057
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0677P)²+3.1744P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1486
_refine_ls_wR_factor_ref         0.1802
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C62) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C63) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3.a Aromatic/amide H refined with riding coordinates:
 C10(H10), C11(H11), C12(H12), C13(H13), C15(H15), C17(H17), C20(H20),
 C22(H22), C23(H23), C25(H25), C26(H26), C27(H27), C29(H29), C31(H31), C32(H32),
  C33(H33), C39(H39), C40(H40), C42(H42), C43(H43), C44(H44), C47(H47),
 C49(H49), C50(H50), C52(H52), C54(H54), C56(H56), C57(H57), C58(H58), C59(H59),
  C60(H60), C61(H61), C62(H62), C63(H63)
;
_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 1.01552(4) 0.12985(4) 0.26901(3) 0.03057(15) Uani 1 1 d . . . . .
Co2 Co 0.53684(5) 0.56012(4) 0.24015(3) 0.03916(18) Uani 1 1 d . . . . .
Cl1 Cl 0.68981(8) 0.73211(8) 0.04727(6) 0.0361(3) Uani 1 1 d . . . . .
Cl2 Cl 0.90640(9) 0.39693(8) 0.51562(7) 0.0416(3) Uani 1 1 d . . . . .
Cl3 Cl 0.35057(8) 0.85866(9) 0.60284(6) 0.0426(3) Uani 1 1 d . . . . .
Cl4 Cl 1.04002(9) 0.71991(11) 0.22121(7) 0.0543(4) Uani 1 1 d . . . . .
Cl5 Cl 1.13249(11) -0.16917(10) 0.05683(7) 0.0562(4) Uani 1 1 d . . . . .
Cl6 Cl 0.34879(10) 0.46615(10) 0.46275(10) 0.0629(4) Uani 1 1 d . . . . .
Cl7 Cl 1.50008(10) -0.04003(11) 0.21148(11) 0.0757(5) Uani 1 1 d . . . . .
Cl8 Cl 0.77646(13) 0.09252(12) 0.62622(8) 0.0752(5) Uani 1 1 d . . . . .
O1 O 1.0631(2) 0.0104(2) 0.18012(18) 0.0398(7) Uani 1 1 d . . . . .
O2 O 0.9757(2) 0.2388(2) 0.36984(17) 0.0326(6) Uani 1 1 d . . . . .
O3 O 0.6018(2) 0.6119(2) 0.15052(15) 0.0351(7) Uani 1 1 d . . . . .
O4 O 0.4745(3) 0.5205(2) 0.33679(16) 0.0397(7) Uani 1 1 d . . . . .
N1 N 0.5365(3) 0.4057(3) 0.1782(2) 0.0377(9) Uani 1 1 d . . . . .
N2 N 0.3873(3) 0.5564(2) 0.17932(18) 0.0324(8) Uani 1 1 d . . . . .
N3 N 0.5260(4) 0.7014(3) 0.3286(2) 0.0675(16) Uani 1 1 d . . . . .
N4 N 0.6957(4) 0.5661(3) 0.2774(2) 0.0505(11) Uani 1 1 d . . . . .
N5 N 1.1749(3) 0.1381(2) 0.3034(2) 0.0351(8) Uani 1 1 d . . . . .
N6 N 0.9600(3) 0.0464(3) 0.3502(2) 0.0400(9) Uani 1 1 d . . . . .
N7 N 0.8733(3) 0.0967(3) 0.1958(2) 0.0350(8) Uani 1 1 d . . . . .
N8 N 0.0371(2) 0.2441(2) 0.2064(2) 0.0287(7) Uani 1 1 d . . . . .
C1 C 1.2229(3) 0.0641(3) 0.2514(2) 0.0280(8) Uani 1 1 d . . . . .
C2 C 0.6968(3) 0.6389(3) 0.1663(2) 0.0284(9) Uani 1 1 d . . . . .
C3 C 1.1584(3) -0.0037(3) 0.1868(2) 0.0301(9) Uani 1 1 d . . . . .
C4 C 0.1960(3) 0.5210(3) 0.0896(2) 0.0322(9) Uani 1 1 d . . . . .
C5 C 0.7537(4) 0.6139(3) 0.2326(2) 0.0336(10) Uani 1 1 d . . . . .
C6 C 0.0268(3) 0.3750(3) 0.1087(2) 0.0301(9) Uani 1 1 d . . . . .
C7 C 0.0162(3) 0.4428(3) 0.0556(2) 0.0303(9) Uani 1 1 d . . . . .
C8 C 0.9337(3) 0.2089(3) 0.4286(2) 0.0317(9) Uani 1 1 d . . . . .
C9 C 1.3290(3) 0.0552(3) 0.2612(2) 0.0294(9) Uani 1 1 d . . . . .
C10 C 0.0997(3) 0.2409(3) 0.1439(3) 0.0329(9) Uani 1 1 d . . . . .
H10 H 0.147865 0.192123 0.132535 0.039 Uiso 1 1 calc R U . . .
C11 C 0.0976(3) 0.3054(3) 0.0953(2) 0.0328(9) Uani 1 1 d . . . . .
H11 H 0.144880 0.301566 0.052802 0.039 Uiso 1 1 calc R U . . .
C12 C 0.2866(4) 0.5284(3) 0.0506(2) 0.0367(10) Uani 1 1 d . . . . .
H12 H 0.284920 0.521134 -0.008028 0.044 Uiso 1 1 calc R U . . .
C13 C 0.2999(4) 0.5500(3) 0.2171(2) 0.0362(10) Uani 1 1 d . . . . .
H13 H 0.303674 0.557696 0.275846 0.043 Uiso 1 1 calc R U . . .
C14 C 0.9098(3) 0.6896(3) 0.2018(2) 0.0341(9) Uani 1 1 d . . . . .
C15 C 0.8586(3) 0.7181(3) 0.1410(2) 0.0322(9) Uani 1 1 d . . . . .
H15 H 0.893826 0.755014 0.109930 0.039 Uiso 1 1 calc R U . . .
C16 C 0.8584(4) 0.6378(3) 0.2511(2) 0.0336(9) Uani 1 1 d . . . . .
C17 C 0.2056(4) 0.5331(3) 0.1764(2) 0.0336(9) Uani 1 1 d . . . . .
H17 H 0.146696 0.529509 0.206915 0.040 Uiso 1 1 calc R U . . .
C18 C 0.7541(3) 0.6931(3) 0.1239(2) 0.0272(8) Uani 1 1 d . . . . .
C19 C 0.6905(3) 0.0596(3) 0.0974(3) 0.0386(10) Uani 1 1 d . . . . .
C20 C 0.3791(4) 0.5463(3) 0.0960(2) 0.0356(10) Uani 1 1 d . . . . .
H20 H 0.439195 0.551745 0.067347 0.043 Uiso 1 1 calc R U . . .
C21 C 0.8964(3) 0.2702(3) 0.5009(3) 0.0336(9) Uani 1 1 d . . . . .
C22 C 0.6955(3) 0.1161(3) 0.1815(3) 0.0380(10) Uani 1 1 d . . . . .
H22 H 0.636127 0.143120 0.206854 0.046 Uiso 1 1 calc R U . . .
C23 C 0.6067(4) 0.2665(3) 0.0844(3) 0.0387(10) Uani 1 1 d . . . . .
H23 H 0.659501 0.241275 0.048628 0.046 Uiso 1 1 calc R U . . .
C24 C 0.0960(3) 0.5061(3) 0.0433(2) 0.0326(9) Uani 1 1 d . . . . .
C25 C -0.0291(3) 0.3141(3) 0.2211(3) 0.0365(10) Uani 1 1 d . . . . .
H25 H -0.072223 0.319624 0.266599 0.044 Uiso 1 1 calc R U . . .
C26 C 0.4534(4) 0.2457(3) 0.1510(3) 0.0420(11) Uani 1 1 d . . . . .
H26 H 0.398392 0.205276 0.161159 0.050 Uiso 1 1 calc R U . . .
C27 C 0.0778(3) 0.5614(3) -0.0122(2) 0.0340(10) Uani 1 1 d . . . . .
H27 H 0.131606 0.604033 -0.021002 0.041 Uiso 1 1 calc R U . . .
C28 C 0.5268(3) 0.2043(3) 0.0960(3) 0.0365(10) Uani 1 1 d . . . . .
C29 C 0.7868(3) 0.1326(3) 0.2277(3) 0.0365(10) Uani 1 1 d . . . . .
H29 H 0.788512 0.171184 0.284816 0.044 Uiso 1 1 calc R U . . .
C30 C 0.9225(3) 0.1055(3) 0.4204(2) 0.0355(10) Uani 1 1 d . . . . .
C31 C 0.8693(4) 0.0426(3) 0.1152(3) 0.0401(10) Uani 1 1 d . . . . .
H31 H 0.929779 0.016273 0.091633 0.048 Uiso 1 1 calc R U . . .
C32 C -0.0381(4) 0.3789(3) 0.1733(3) 0.0373(10) Uani 1 1 d . . . . .
H32 H -0.088398 0.425615 0.184573 0.045 Uiso 1 1 calc R U . . .
C33 C 0.7806(4) 0.0236(3) 0.0649(3) 0.0417(11) Uani 1 1 d . . . . .
H33 H 0.781369 -0.014479 0.007781 0.050 Uiso 1 1 calc R U . . .
C34 C 0.5159(4) 0.0987(3) 0.0492(3) 0.0413(11) Uani 1 1 d . . . . .
C35 C 0.4481(3) 0.5936(3) 0.3967(2) 0.0368(10) Uani 1 1 d . . . . .
C37 C 1.2060(4) -0.0825(3) 0.1352(2) 0.0398(11) Uani 1 1 d . . . . .
C38 C 0.3892(3) 0.7586(3) 0.5251(2) 0.0373(10) Uani 1 1 d . . . . .
C39 C 0.3611(3) 0.6651(4) 0.5253(3) 0.0417(11) Uani 1 1 d . . . . .
H39 H 0.321373 0.654851 0.569018 0.050 Uiso 1 1 calc R U . . .
C40 C 0.4606(4) 0.3456(3) 0.1907(3) 0.0393(10) Uani 1 1 d . . . . .
H40 H 0.410043 0.372761 0.228230 0.047 Uiso 1 1 calc R U . . .
C41 C 0.8739(4) 0.0662(4) 0.4803(3) 0.0473(12) Uani 1 1 d . . . . .
C42 C 1.3829(3) 0.1273(3) 0.3272(3) 0.0365(10) Uani 1 1 d . . . . .
H42 H 1.454055 0.124651 0.335997 0.044 Uiso 1 1 calc R U . . .
C43 C 0.6076(4) 0.3659(3) 0.1262(2) 0.0392(11) Uani 1 1 d . . . . .
H43 H 0.661776 0.408232 0.117440 0.047 Uiso 1 1 calc R U . . .
C44 C 1.2274(4) 0.2039(4) 0.3647(3) 0.0483(12) Uani 1 1 d . . . . .
H44 H 1.193113 0.255086 0.400984 0.058 Uiso 1 1 calc R U . . .
C45 C 0.8382(4) 0.1350(4) 0.5508(3) 0.0478(13) Uani 1 1 d . . . . .
C46 C 1.3698(3) -0.0258(4) 0.2049(3) 0.0410(11) Uani 1 1 d . . . . .
C47 C 0.5752(4) -0.0630(3) -0.0031(3) 0.0439(11) Uani 1 1 d . . . . .
H47 H 0.627599 -0.106858 -0.005813 0.053 Uiso 1 1 calc R U . . .
C48 C 0.3894(3) 0.5841(3) 0.4625(3) 0.0380(10) Uani 1 1 d . . . . .
C49 C 1.3330(4) 0.2009(4) 0.3784(3) 0.0455(11) Uani 1 1 d . . . . .
H49 H 1.369128 0.249697 0.422975 0.055 Uiso 1 1 calc R U . . .
C50 C 0.8481(3) 0.2338(4) 0.5610(3) 0.0399(10) Uani 1 1 d . . . . .
H50 H 0.822197 0.278186 0.608788 0.048 Uiso 1 1 calc R U . . .
C51 C 0.4747(4) 0.6927(3) 0.3969(2) 0.0443(12) Uani 1 1 d . . . . .
C52 C 1.3105(4) -0.0927(4) 0.1445(3) 0.0509(13) Uani 1 1 d . . . . .
H52 H 1.340200 -0.147168 0.108049 0.061 Uiso 1 1 calc R U . . .
C53 C 0.5930(4) 0.0341(3) 0.0469(3) 0.0414(11) Uani 1 1 d . . . . .
C54 C 0.9025(4) 0.6095(3) 0.3189(3) 0.0475(12) Uani 1 1 d . . . . .
H54 H 0.972837 0.624620 0.334348 0.057 Uiso 1 1 calc R U . . .
C55 C 0.4475(4) 0.7757(3) 0.4605(2) 0.0484(13) Uani 1 1 d . . . . .
C56 C 0.9533(5) -0.0503(3) 0.3366(3) 0.0552(14) Uani 1 1 d . . . . .
H56 H 0.981266 -0.090896 0.287917 0.066 Uiso 1 1 calc R U . . .
C57 C 0.8681(5) -0.0375(4) 0.4631(3) 0.0648(18) Uani 1 1 d . . . . .
H57 H 0.837450 -0.067279 0.501499 0.078 Uiso 1 1 calc R U . . .
C58 C 0.8435(5) 0.5605(4) 0.3619(3) 0.0652(17) Uani 1 1 d . . . . .
H58 H 0.872632 0.540361 0.406785 0.078 Uiso 1 1 calc R U . . .
C59 C 0.7400(5) 0.5403(4) 0.3393(3) 0.0681(19) Uani 1 1 d . . . . .
H59 H 0.699770 0.506460 0.369906 0.082 Uiso 1 1 calc R U . . .
C60 C 0.9058(5) -0.0943(4) 0.3925(3) 0.0695(19) Uani 1 1 d . . . . .
H60 H 0.900266 -0.163985 0.380546 0.083 Uiso 1 1 calc R U . . .
C61 C 0.4799(7) 0.8684(4) 0.4537(3) 0.103(3) Uani 1 1 d . . . . .
H61 H 0.464213 0.926259 0.495433 0.124 Uiso 1 1 calc R U . . .
C62 C 0.5545(7) 0.7897(4) 0.3250(3) 0.097(3) Uani 1 1 d . U . . .
H62 H 0.590818 0.795850 0.278269 0.117 Uiso 1 1 calc R U . . .
C63 C 0.5338(8) 0.8756(5) 0.3871(4) 0.116(3) Uani 1 1 d . U . . .
H63 H 0.557229 0.938339 0.382807 0.139 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 O1 2.051(3) . ?
Co1 O2 2.037(3) . ?
Co1 N5 2.149(3) . ?
Co1 N6 2.156(3) . ?
Co1 N7 2.155(3) . ?
Co1 N8 2.176(3) 1_655 ?
Co2 O3 2.035(2) . ?
Co2 O4 2.033(3) . ?
Co2 N1 2.140(4) . ?
Co2 N2 2.177(4) . ?
Co2 N3 2.139(4) . ?
Co2 N4 2.156(5) . ?
Cl1 C18 1.742(4) . ?
Cl2 C21 1.743(4) . ?
Cl3 C38 1.740(5) . ?
Cl4 C14 1.744(5) . ?
Cl5 C37 1.737(5) . ?
Cl6 C48 1.731(4) . ?
Cl7 C46 1.746(5) . ?
Cl8 C45 1.746(4) . ?
O1 C3 1.290(5) . ?
O2 C8 1.301(4) . ?
O3 C2 1.286(5) . ?
O4 C35 1.290(5) . ?
N1 C40 1.340(5) . ?
N1 C43 1.335(6) . ?
N2 C13 1.344(5) . ?
N2 C20 1.352(5) . ?
N3 C51 1.373(5) . ?
N3 C62 1.307(6) . ?
N4 C5 1.368(5) . ?
N4 C59 1.317(6) . ?
N5 C1 1.359(5) . ?
N5 C44 1.314(6) . ?
N6 C30 1.356(6) . ?
N6 C56 1.324(6) . ?
N7 C29 1.341(5) . ?
N7 C31 1.337(6) . ?
N8 C10 1.342(5) . ?
N8 C25 1.336(5) . ?
C1 C3 1.436(6) . ?
C1 C9 1.420(6) . ?
C2 C5 1.450(5) . ?
C2 C18 1.393(5) . ?
C3 C37 1.396(6) . ?
C4 C12 1.393(6) . ?
C4 C17 1.403(5) . ?
C4 C24 1.479(6) . ?
C5 C16 1.407(6) . ?
C6 C7 1.490(5) . ?
C6 C11 1.375(6) . ?
C6 C32 1.388(5) . ?
C7 C24 1.405(5) . ?
C7 C27 1.402(6) 2_565 ?
C8 C21 1.391(6) . ?
C8 C30 1.434(6) . ?
C9 C42 1.408(6) . ?
C9 C46 1.405(6) . ?
C10 H10 0.9500 . ?
C10 C11 1.386(6) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C12 C20 1.383(6) . ?
C13 H13 0.9500 . ?
C13 C17 1.372(6) . ?
C14 C15 1.364(5) . ?
C14 C16 1.416(6) . ?
C15 H15 0.9500 . ?
C15 C18 1.403(6) . ?
C16 C54 1.418(6) . ?
C17 H17 0.9500 . ?
C19 C22 1.398(6) . ?
C19 C33 1.386(7) . ?
C19 C53 1.479(6) . ?
C20 H20 0.9500 . ?
C21 C50 1.405(6) . ?
C22 H22 0.9500 . ?
C22 C29 1.377(6) . ?
C23 H23 0.9500 . ?
C23 C28 1.392(6) . ?
C23 C43 1.384(6) . ?
C24 C27 1.395(5) . ?
C25 H25 0.9500 . ?
C25 C32 1.385(5) . ?
C26 H26 0.9500 . ?
C26 C28 1.393(7) . ?
C26 C40 1.380(6) . ?
C27 H27 0.9500 . ?
C28 C34 1.475(6) . ?
C29 H29 0.9500 . ?
C30 C41 1.428(6) . ?
C31 H31 0.9500 . ?
C31 C33 1.383(6) . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?
C34 C47 1.391(6) 2_655 ?
C34 C53 1.403(6) . ?
C35 C48 1.395(6) . ?
C35 C51 1.432(6) . ?
C37 C52 1.403(7) . ?
C38 C39 1.360(6) . ?
C38 C55 1.411(6) . ?
C39 H39 0.9500 . ?
C39 C48 1.393(7) . ?
C40 H40 0.9500 . ?
C41 C45 1.409(7) . ?
C41 C57 1.415(7) . ?
C42 H42 0.9500 . ?
C42 C49 1.363(6) . ?
C43 H43 0.9500 . ?
C44 H44 0.9500 . ?
C44 C49 1.409(7) . ?
C45 C50 1.363(7) . ?
C46 C52 1.357(7) . ?
C47 H47 0.9500 . ?
C47 C53 1.395(6) . ?
C49 H49 0.9500 . ?
C50 H50 0.9500 . ?
C51 C55 1.414(7) . ?
C52 H52 0.9500 . ?
C54 H54 0.9500 . ?
C54 C58 1.365(7) . ?
C55 C61 1.398(7) . ?
C56 H56 0.9500 . ?
C56 C60 1.406(7) . ?
C57 H57 0.9500 . ?
C57 C60 1.350(8) . ?
C58 H58 0.9500 . ?
C58 C59 1.396(9) . ?
C59 H59 0.9500 . ?
C60 H60 0.9500 . ?
C61 H61 0.9500 . ?
C61 C63 1.361(7) . ?
C62 H62 0.9500 . ?
C62 C63 1.403(8) . ?
C63 H63 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
O1 Co1 N5 78.30(12) . . ?
O1 Co1 N6 95.00(13) . . ?
O1 Co1 N7 84.80(13) . . ?
O1 Co1 N8 100.95(12) . 1_655 ?
O2 Co1 O1 171.63(11) . . ?
O2 Co1 N5 97.41(12) . . ?
O2 Co1 N6 78.45(12) . . ?
O2 Co1 N7 100.30(13) . . ?
O2 Co1 N8 86.28(11) . 1_655 ?
N5 Co1 N6 98.71(14) . . ?
N5 Co1 N7 161.41(14) . . ?
N5 Co1 N8 91.91(13) . 1_655 ?
N6 Co1 N8 162.36(13) . 1_655 ?
N7 Co1 N6 90.36(13) . . ?
N7 Co1 N8 83.69(12) . 1_655 ?
O3 Co2 N1 98.80(12) . . ?
O3 Co2 N2 90.26(12) . . ?
O3 Co2 N3 95.71(12) . . ?
O3 Co2 N4 78.95(12) . . ?
O4 Co2 O3 174.92(12) . . ?
O4 Co2 N1 86.12(12) . . ?
O4 Co2 N2 91.22(12) . . ?
O4 Co2 N3 79.32(13) . . ?
O4 Co2 N4 99.79(13) . . ?
N1 Co2 N2 87.47(13) . . ?
N1 Co2 N4 91.13(15) . . ?
N3 Co2 N1 165.29(13) . . ?
N3 Co2 N2 94.85(18) . . ?
N3 Co2 N4 89.32(19) . . ?
N4 Co2 N2 168.78(12) . . ?
C3 O1 Co1 115.1(3) . . ?
C8 O2 Co1 115.2(3) . . ?
C2 O3 Co2 113.9(2) . . ?
C35 O4 Co2 114.2(2) . . ?
C40 N1 Co2 118.8(3) . . ?
C43 N1 Co2 123.2(3) . . ?
C43 N1 C40 118.0(4) . . ?
C13 N2 Co2 123.6(3) . . ?
C13 N2 C20 116.3(4) . . ?
C20 N2 Co2 119.5(3) . . ?
C51 N3 Co2 110.6(3) . . ?
C62 N3 Co2 130.9(3) . . ?
C62 N3 C51 118.4(4) . . ?
C5 N4 Co2 110.9(3) . . ?
C59 N4 Co2 130.0(4) . . ?
C59 N4 C5 118.7(5) . . ?
C1 N5 Co1 111.8(3) . . ?
C44 N5 Co1 128.6(3) . . ?
C44 N5 C1 119.5(4) . . ?
C30 N6 Co1 111.5(3) . . ?
C56 N6 Co1 128.5(3) . . ?
C56 N6 C30 119.8(4) . . ?
C29 N7 Co1 121.6(3) . . ?
C31 N7 Co1 120.8(3) . . ?
C31 N7 C29 117.5(4) . . ?
C10 N8 Co1 125.1(3) . 1_455 ?
C25 N8 Co1 117.0(2) . 1_455 ?
C25 N8 C10 116.9(3) . . ?
N5 C1 C3 115.0(4) . . ?
N5 C1 C9 122.0(4) . . ?
C9 C1 C3 123.1(4) . . ?
O3 C2 C5 120.8(3) . . ?
O3 C2 C18 125.2(3) . . ?
C18 C2 C5 114.1(4) . . ?
O1 C3 C1 119.8(4) . . ?
O1 C3 C37 124.7(4) . . ?
C37 C3 C1 115.5(4) . . ?
C12 C4 C17 115.7(4) . . ?
C12 C4 C24 122.0(3) . . ?
C17 C4 C24 122.2(4) . . ?
N4 C5 C2 113.8(4) . . ?
N4 C5 C16 122.4(4) . . ?
C16 C5 C2 123.8(4) . . ?
C11 C6 C7 122.7(3) . . ?
C11 C6 C32 117.4(3) . . ?
C32 C6 C7 119.9(4) . . ?
C24 C7 C6 123.7(4) . . ?
C27 C7 C6 117.4(3) 2_565 . ?
C27 C7 C24 118.7(4) 2_565 . ?
O2 C8 C21 124.9(4) . . ?
O2 C8 C30 119.6(4) . . ?
C21 C8 C30 115.6(4) . . ?
C42 C9 C1 116.9(4) . . ?
C46 C9 C1 116.9(4) . . ?
C46 C9 C42 126.2(4) . . ?
N8 C10 H10 118.4 . . ?
N8 C10 C11 123.2(4) . . ?
C11 C10 H10 118.4 . . ?
C6 C11 C10 119.7(3) . . ?
C6 C11 H11 120.1 . . ?
C10 C11 H11 120.1 . . ?
C4 C12 H12 119.5 . . ?
C20 C12 C4 121.0(3) . . ?
C20 C12 H12 119.5 . . ?
N2 C13 H13 117.9 . . ?
N2 C13 C17 124.2(3) . . ?
C17 C13 H13 117.9 . . ?
C15 C14 Cl4 119.8(3) . . ?
C15 C14 C16 120.9(4) . . ?
C16 C14 Cl4 119.2(3) . . ?
C14 C15 H15 119.8 . . ?
C14 C15 C18 120.4(4) . . ?
C18 C15 H15 119.8 . . ?
C5 C16 C14 117.3(3) . . ?
C5 C16 C54 116.9(4) . . ?
C14 C16 C54 125.8(4) . . ?
C4 C17 H17 119.9 . . ?
C13 C17 C4 120.1(4) . . ?
C13 C17 H17 119.9 . . ?
C2 C18 Cl1 116.9(3) . . ?
C2 C18 C15 123.5(3) . . ?
C15 C18 Cl1 119.6(3) . . ?
C22 C19 C53 121.8(4) . . ?
C33 C19 C22 116.6(4) . . ?
C33 C19 C53 121.5(4) . . ?
N2 C20 C12 122.7(4) . . ?
N2 C20 H20 118.6 . . ?
C12 C20 H20 118.6 . . ?
C8 C21 Cl2 118.6(3) . . ?
C8 C21 C50 122.6(4) . . ?
C50 C21 Cl2 118.8(3) . . ?
C19 C22 H22 120.1 . . ?
C29 C22 C19 119.8(4) . . ?
C29 C22 H22 120.1 . . ?
C28 C23 H23 120.7 . . ?
C43 C23 H23 120.7 . . ?
C43 C23 C28 118.6(4) . . ?
C7 C24 C4 123.3(4) . . ?
C27 C24 C4 118.6(4) . . ?
C27 C24 C7 118.1(4) . . ?
N8 C25 H25 118.4 . . ?
N8 C25 C32 123.2(3) . . ?
C32 C25 H25 118.4 . . ?
C28 C26 H26 120.1 . . ?
C40 C26 H26 120.1 . . ?
C40 C26 C28 119.9(4) . . ?
C7 C27 H27 118.4 2_565 . ?
C24 C27 C7 123.2(4) . 2_565 ?
C24 C27 H27 118.4 . . ?
C23 C28 C26 117.7(4) . . ?
C23 C28 C34 122.2(4) . . ?
C26 C28 C34 120.0(4) . . ?
N7 C29 C22 123.0(4) . . ?
N7 C29 H29 118.5 . . ?
C22 C29 H29 118.5 . . ?
N6 C30 C8 115.1(4) . . ?
N6 C30 C41 121.7(4) . . ?
C41 C30 C8 123.2(4) . . ?
N7 C31 H31 118.7 . . ?
N7 C31 C33 122.6(4) . . ?
C33 C31 H31 118.7 . . ?
C6 C32 H32 120.2 . . ?
C25 C32 C6 119.5(4) . . ?
C25 C32 H32 120.2 . . ?
C19 C33 H33 119.8 . . ?
C31 C33 C19 120.4(4) . . ?
C31 C33 H33 119.8 . . ?
C47 C34 C28 117.5(4) 2_655 . ?
C47 C34 C53 118.9(4) 2_655 . ?
C53 C34 C28 123.5(4) . . ?
O4 C35 C48 124.4(4) . . ?
O4 C35 C51 120.4(4) . . ?
C48 C35 C51 115.2(4) . . ?
C3 C37 Cl5 118.3(4) . . ?
C3 C37 C52 122.0(4) . . ?
C52 C37 Cl5 119.7(3) . . ?
C39 C38 Cl3 120.4(3) . . ?
C39 C38 C55 120.5(4) . . ?
C55 C38 Cl3 119.1(4) . . ?
C38 C39 H39 119.4 . . ?
C38 C39 C48 121.2(4) . . ?
C48 C39 H39 119.4 . . ?
N1 C40 C26 122.2(5) . . ?
N1 C40 H40 118.9 . . ?
C26 C40 H40 118.9 . . ?
C45 C41 C30 116.4(4) . . ?
C45 C41 C57 127.1(4) . . ?
C57 C41 C30 116.6(5) . . ?
C9 C42 H42 120.0 . . ?
C49 C42 C9 120.0(4) . . ?
C49 C42 H42 120.0 . . ?
N1 C43 C23 123.6(4) . . ?
N1 C43 H43 118.2 . . ?
C23 C43 H43 118.2 . . ?
N5 C44 H44 118.9 . . ?
N5 C44 C49 122.1(4) . . ?
C49 C44 H44 118.9 . . ?
C41 C45 Cl8 119.1(4) . . ?
C50 C45 Cl8 118.8(4) . . ?
C50 C45 C41 122.0(4) . . ?
C9 C46 Cl7 119.5(4) . . ?
C52 C46 Cl7 118.9(4) . . ?
C52 C46 C9 121.6(4) . . ?
C34 C47 H47 118.5 2_655 . ?
C34 C47 C53 123.0(4) 2_655 . ?
C53 C47 H47 118.5 . . ?
C35 C48 Cl6 117.5(4) . . ?
C39 C48 Cl6 120.0(3) . . ?
C39 C48 C35 122.5(4) . . ?
C42 C49 C44 119.4(4) . . ?
C42 C49 H49 120.3 . . ?
C44 C49 H49 120.3 . . ?
C21 C50 H50 119.9 . . ?
C45 C50 C21 120.2(4) . . ?
C45 C50 H50 119.9 . . ?
N3 C51 C35 114.8(4) . . ?
N3 C51 C55 122.1(4) . . ?
C55 C51 C35 123.0(4) . . ?
C37 C52 H52 119.5 . . ?
C46 C52 C37 120.9(4) . . ?
C46 C52 H52 119.5 . . ?
C34 C53 C19 124.9(4) . . ?
C47 C53 C19 117.0(4) . . ?
C47 C53 C34 118.0(4) . . ?
C16 C54 H54 120.2 . . ?
C58 C54 C16 119.7(5) . . ?
C58 C54 H54 120.2 . . ?
C38 C55 C51 117.6(4) . . ?
C61 C55 C38 125.3(5) . . ?
C61 C55 C51 117.1(4) . . ?
N6 C56 H56 119.2 . . ?
N6 C56 C60 121.7(5) . . ?
C60 C56 H56 119.2 . . ?
C41 C57 H57 119.8 . . ?
C60 C57 C41 120.3(5) . . ?
C60 C57 H57 119.8 . . ?
C54 C58 H58 120.3 . . ?
C54 C58 C59 119.5(4) . . ?
C59 C58 H58 120.3 . . ?
N4 C59 C58 122.9(5) . . ?
N4 C59 H59 118.6 . . ?
C58 C59 H59 118.6 . . ?
C56 C60 H60 120.1 . . ?
C57 C60 C56 119.9(5) . . ?
C57 C60 H60 120.1 . . ?
C55 C61 H61 120.1 . . ?
C63 C61 C55 119.9(5) . . ?
C63 C61 H61 120.1 . . ?
N3 C62 H62 118.5 . . ?
N3 C62 C63 122.9(5) . . ?
C63 C62 H62 118.5 . . ?
C61 C63 C62 119.4(5) . . ?
C61 C63 H63 120.3 . . ?
C62 C63 H63 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
Co1 O1 C3 C1 -2.2(4) . . . . ?
Co1 O1 C3 C37 177.5(3) . . . . ?
Co1 O2 C8 C21 -176.9(3) . . . . ?
Co1 O2 C8 C30 2.5(5) . . . . ?
Co1 N5 C1 C3 -1.2(4) . . . . ?
Co1 N5 C1 C9 179.2(3) . . . . ?
Co1 N5 C44 C49 -178.5(4) . . . . ?
Co1 N6 C30 C8 -4.0(5) . . . . ?
Co1 N6 C30 C41 174.8(3) . . . . ?
Co1 N6 C56 C60 -173.6(4) . . . . ?
Co1 N7 C29 C22 177.3(3) . . . . ?
Co1 N7 C31 C33 -176.9(3) . . . . ?
Co1 N8 C10 C11 167.5(3) 1_455 . . . ?
Co1 N8 C25 C32 -166.2(4) 1_455 . . . ?
Co2 O3 C2 C5 12.2(4) . . . . ?
Co2 O3 C2 C18 -167.5(3) . . . . ?
Co2 O4 C35 C48 169.2(3) . . . . ?
Co2 O4 C35 C51 -7.8(5) . . . . ?
Co2 N1 C40 C26 177.9(3) . . . . ?
Co2 N1 C43 C23 -178.5(3) . . . . ?
Co2 N2 C13 C17 -170.0(3) . . . . ?
Co2 N2 C20 C12 169.9(3) . . . . ?
Co2 N3 C51 C35 4.7(6) . . . . ?
Co2 N3 C51 C55 -173.2(4) . . . . ?
Co2 N3 C62 C63 174.8(7) . . . . ?
Co2 N4 C5 C2 -6.1(4) . . . . ?
Co2 N4 C5 C16 172.6(3) . . . . ?
Co2 N4 C59 C58 -171.5(4) . . . . ?
Cl2 C21 C50 C45 179.4(4) . . . . ?
Cl3 C38 C39 C48 178.6(3) . . . . ?
Cl3 C38 C55 C51 -178.0(4) . . . . ?
Cl3 C38 C55 C61 1.3(8) . . . . ?
Cl4 C14 C15 C18 179.2(3) . . . . ?
Cl4 C14 C16 C5 -179.3(3) . . . . ?
Cl4 C14 C16 C54 2.2(6) . . . . ?
Cl5 C37 C52 C46 179.7(4) . . . . ?
Cl7 C46 C52 C37 -178.0(3) . . . . ?
Cl8 C45 C50 C21 -179.3(3) . . . . ?
O1 C3 C37 Cl5 -0.9(5) . . . . ?
O1 C3 C37 C52 178.6(4) . . . . ?
O2 C8 C21 Cl2 -0.4(6) . . . . ?
O2 C8 C21 C50 177.5(4) . . . . ?
O2 C8 C30 N6 1.2(6) . . . . ?
O2 C8 C30 C41 -177.6(4) . . . . ?
O3 C2 C5 N4 -3.7(5) . . . . ?
O3 C2 C5 C16 177.6(4) . . . . ?
O3 C2 C18 Cl1 3.3(5) . . . . ?
O3 C2 C18 C15 -177.6(4) . . . . ?
O4 C35 C48 Cl6 -0.6(6) . . . . ?
O4 C35 C48 C39 -178.8(4) . . . . ?
O4 C35 C51 N3 1.8(7) . . . . ?
O4 C35 C51 C55 179.7(5) . . . . ?
N2 C13 C17 C4 0.1(7) . . . . ?
N3 C51 C55 C38 176.0(5) . . . . ?
N3 C51 C55 C61 -3.4(9) . . . . ?
N3 C62 C63 C61 -1.5(15) . . . . ?
N4 C5 C16 C14 -178.3(4) . . . . ?
N4 C5 C16 C54 0.4(6) . . . . ?
N5 C1 C3 O1 2.3(5) . . . . ?
N5 C1 C3 C37 -177.4(3) . . . . ?
N5 C1 C9 C42 -0.5(5) . . . . ?
N5 C1 C9 C46 178.5(4) . . . . ?
N5 C44 C49 C42 -0.5(8) . . . . ?
N6 C30 C41 C45 180.0(4) . . . . ?
N6 C30 C41 C57 0.8(7) . . . . ?
N6 C56 C60 C57 -1.8(9) . . . . ?
N7 C31 C33 C19 -0.9(7) . . . . ?
N8 C10 C11 C6 -1.9(7) . . . . ?
N8 C25 C32 C6 -2.7(8) . . . . ?
C1 N5 C44 C49 0.4(7) . . . . ?
C1 C3 C37 Cl5 178.8(3) . . . . ?
C1 C3 C37 C52 -1.7(6) . . . . ?
C1 C9 C42 C49 0.4(6) . . . . ?
C1 C9 C46 Cl7 178.4(3) . . . . ?
C1 C9 C46 C52 -0.6(6) . . . . ?
C2 C5 C16 C14 0.3(6) . . . . ?
C2 C5 C16 C54 179.0(4) . . . . ?
C3 C1 C9 C42 179.9(3) . . . . ?
C3 C1 C9 C46 -1.1(5) . . . . ?
C3 C37 C52 C46 0.2(7) . . . . ?
C4 C12 C20 N2 0.8(7) . . . . ?
C4 C24 C27 C7 -176.3(4) . . . 2_565 ?
C5 N4 C59 C58 0.8(8) . . . . ?
C5 C2 C18 Cl1 -176.5(3) . . . . ?
C5 C2 C18 C15 2.6(5) . . . . ?
C5 C16 C54 C58 0.7(6) . . . . ?
C6 C7 C24 C4 -7.5(6) . . . . ?
C6 C7 C24 C27 176.0(3) . . . . ?
C7 C6 C11 C10 -176.4(4) . . . . ?
C7 C6 C32 C25 178.6(4) . . . . ?
C7 C24 C27 C7 0.4(6) . . . 2_565 ?
C8 C21 C50 C45 1.5(7) . . . . ?
C8 C30 C41 C45 -1.4(7) . . . . ?
C8 C30 C41 C57 179.5(4) . . . . ?
C9 C1 C3 O1 -178.1(3) . . . . ?
C9 C1 C3 C37 2.2(5) . . . . ?
C9 C42 C49 C44 0.1(7) . . . . ?
C9 C46 C52 C37 1.0(7) . . . . ?
C10 N8 C25 C32 2.7(7) . . . . ?
C11 C6 C7 C24 -56.5(6) . . . . ?
C11 C6 C7 C27 119.9(4) . . . 2_565 ?
C11 C6 C32 C25 0.3(7) . . . . ?
C12 C4 C17 C13 -0.6(6) . . . . ?
C12 C4 C24 C7 139.6(4) . . . . ?
C12 C4 C24 C27 -43.9(6) . . . . ?
C13 N2 C20 C12 -1.3(6) . . . . ?
C14 C15 C18 Cl1 178.9(3) . . . . ?
C14 C15 C18 C2 -0.2(6) . . . . ?
C14 C16 C54 C58 179.3(4) . . . . ?
C15 C14 C16 C5 2.4(6) . . . . ?
C15 C14 C16 C54 -176.2(4) . . . . ?
C16 C14 C15 C18 -2.5(6) . . . . ?
C16 C54 C58 C59 -1.0(8) . . . . ?
C17 C4 C12 C20 0.2(6) . . . . ?
C17 C4 C24 C7 -43.4(6) . . . . ?
C17 C4 C24 C27 133.1(4) . . . . ?
C18 C2 C5 N4 176.1(3) . . . . ?
C18 C2 C5 C16 -2.6(5) . . . . ?
C19 C22 C29 N7 0.0(6) . . . . ?
C20 N2 C13 C17 0.8(6) . . . . ?
C21 C8 C30 N6 -179.4(4) . . . . ?
C21 C8 C30 C41 1.9(6) . . . . ?
C22 C19 C33 C31 0.9(6) . . . . ?
C22 C19 C53 C34 41.2(6) . . . . ?
C22 C19 C53 C47 -135.3(5) . . . . ?
C23 C28 C34 C47 -124.2(5) . . . 2_655 ?
C23 C28 C34 C53 53.8(6) . . . . ?
C24 C4 C12 C20 177.4(4) . . . . ?
C24 C4 C17 C13 -177.8(4) . . . . ?
C25 N8 C10 C11 -0.4(6) . . . . ?
C26 C28 C34 C47 52.8(6) . . . 2_655 ?
C26 C28 C34 C53 -129.3(5) . . . . ?
C27 C7 C24 C4 176.1(4) 2_565 . . . ?
C27 C7 C24 C27 -0.4(6) 2_565 . . . ?
C28 C23 C43 N1 0.9(6) . . . . ?
C28 C26 C40 N1 0.2(6) . . . . ?
C28 C34 C53 C19 6.8(7) . . . . ?
C28 C34 C53 C47 -176.7(4) . . . . ?
C29 N7 C31 C33 0.4(6) . . . . ?
C30 N6 C56 C60 1.5(8) . . . . ?
C30 C8 C21 Cl2 -179.8(3) . . . . ?
C30 C8 C21 C50 -1.9(6) . . . . ?
C30 C41 C45 Cl8 179.2(3) . . . . ?
C30 C41 C45 C50 0.9(7) . . . . ?
C30 C41 C57 C60 -1.0(8) . . . . ?
C31 N7 C29 C22 0.0(6) . . . . ?
C32 C6 C7 C24 125.3(5) . . . . ?
C32 C6 C7 C27 -58.3(5) . . . 2_565 ?
C32 C6 C11 C10 1.9(6) . . . . ?
C33 C19 C22 C29 -0.5(6) . . . . ?
C33 C19 C53 C34 -142.8(5) . . . . ?
C33 C19 C53 C47 40.6(6) . . . . ?
C34 C47 C53 C19 175.6(4) 2_655 . . . ?
C34 C47 C53 C34 -1.2(8) 2_655 . . . ?
C35 C51 C55 C38 -1.7(8) . . . . ?
C35 C51 C55 C61 179.0(6) . . . . ?
C38 C39 C48 Cl6 -177.8(4) . . . . ?
C38 C39 C48 C35 0.4(7) . . . . ?
C38 C55 C61 C63 -178.3(7) . . . . ?
C39 C38 C55 C51 0.2(7) . . . . ?
C39 C38 C55 C61 179.5(6) . . . . ?
C40 N1 C43 C23 0.4(6) . . . . ?
C40 C26 C28 C23 1.1(6) . . . . ?
C40 C26 C28 C34 -176.0(4) . . . . ?
C41 C45 C50 C21 -0.9(7) . . . . ?
C41 C57 C60 C56 1.5(9) . . . . ?
C42 C9 C46 Cl7 -2.6(6) . . . . ?
C42 C9 C46 C52 178.4(4) . . . . ?
C43 N1 C40 C26 -1.0(6) . . . . ?
C43 C23 C28 C26 -1.6(6) . . . . ?
C43 C23 C28 C34 175.4(4) . . . . ?
C44 N5 C1 C3 179.7(4) . . . . ?
C44 N5 C1 C9 0.1(6) . . . . ?
C45 C41 C57 C60 179.9(5) . . . . ?
C46 C9 C42 C49 -178.5(4) . . . . ?
C47 C34 C53 C19 -175.3(4) 2_655 . . . ?
C47 C34 C53 C47 1.2(8) 2_655 . . . ?
C48 C35 C51 N3 -175.4(4) . . . . ?
C48 C35 C51 C55 2.4(7) . . . . ?
C51 N3 C62 C63 -0.9(13) . . . . ?
C51 C35 C48 Cl6 176.5(3) . . . . ?
C51 C35 C48 C39 -1.7(7) . . . . ?
C51 C55 C61 C63 0.9(12) . . . . ?
C53 C19 C22 C29 175.6(4) . . . . ?
C53 C19 C33 C31 -175.2(4) . . . . ?
C54 C58 C59 N4 0.3(9) . . . . ?
C55 C38 C39 C48 0.4(7) . . . . ?
C55 C61 C63 C62 1.4(15) . . . . ?
C56 N6 C30 C8 -179.9(4) . . . . ?
C56 N6 C30 C41 -1.1(7) . . . . ?
C57 C41 C45 Cl8 -1.7(8) . . . . ?
C57 C41 C45 C50 179.9(5) . . . . ?
C59 N4 C5 C2 -179.8(4) . . . . ?
C59 N4 C5 C16 -1.1(7) . . . . ?
C62 N3 C51 C35 -178.8(6) . . . . ?
C62 N3 C51 C55 3.3(9) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
