# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_[Co(PzOx)3(BC5H4N)Cl]_CHCl3
_database_code_depnum_ccdc_archive 'CCDC 2416120'
loop_
_audit_author_name
_audit_author_address
'Anastasia Danshina'
;Nesmeyanov Institute of Organoelement Compounds
Russia
;
_audit_update_record             
;
2025-01-10 deposited with the CCDC.	2025-05-13 downloaded from the CCDC.
;
_audit_creation_date             2025-01-09
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C20 H22 B Co N10 O3, C H Cl3, Cl'
_chemical_formula_sum            'C21 H23 B Cl4 Co N10 O3'
_chemical_formula_weight         675.03
_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'
B B 0.0013 0.0007 '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           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   15.3889(17)
_cell_length_b                   8.0081(9)
_cell_length_c                   22.785(3)
_cell_angle_alpha                90
_cell_angle_beta                 96.665(3)
_cell_angle_gamma                90
_cell_volume                     2788.9(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6583
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      30.16
_cell_measurement_theta_min      2.55
_shelx_estimated_absorpt_T_max   0.894
_shelx_estimated_absorpt_T_min   0.868
_exptl_absorpt_coefficient_mu    1.044
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6471
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0710 before and 0.0612 after correction.
The Ratio of minimum to maximum transmission is 0.8673.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            blue
_exptl_crystal_colour_lustre     .
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    blue
_exptl_crystal_density_diffrn    1.608
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             1372
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0472
_diffrn_reflns_av_unetI/netI     0.0485
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            20009
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.999
_diffrn_reflns_theta_min         1.332
_diffrn_ambient_temperature      120.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5450
_reflns_number_total             6704
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         1.023
_refine_diff_density_min         -1.035
_refine_diff_density_rms         0.140
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     364
_refine_ls_number_reflns         6704
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0736
_refine_ls_R_factor_gt           0.0604
_refine_ls_restrained_S_all      1.060
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0906P)²+7.6559P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1653
_refine_ls_wR_factor_ref         0.1774
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Riding coordinates:
 N3(H3), N6(H6), N9(H9A)
2.b Ternary CH refined with riding coordinates:
 C1S(H1S)
2.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C9(H9), C10(H10), C14(H14), C15(H15), C17(H17), C18(H18),
 C19(H19), C20(H20)
2.d Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C6(H6A,H6B,H6C), C11(H11A,H11B,H11C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
B1 B 0.6344(2) 0.3786(5) 0.45588(16) 0.0155(7) Uani 1 1 d . . . . .
C1 C 0.8718(3) 0.1941(6) 0.40400(17) 0.0288(8) Uani 1 1 d . . . . .
H1A H 0.8143 0.1702 0.3825 0.043 Uiso 1 1 calc R U . . .
H1B H 0.9058 0.0906 0.4092 0.043 Uiso 1 1 calc R U . . .
H1C H 0.9028 0.2746 0.3816 0.043 Uiso 1 1 calc R U . . .
C2 C 0.8605(2) 0.2656(4) 0.46305(15) 0.0184(7) Uani 1 1 d . . . . .
C3 C 0.9350(2) 0.2851(4) 0.50898(15) 0.0179(6) Uani 1 1 d . . . . .
C4 C 1.0604(2) 0.2937(6) 0.56459(18) 0.0298(9) Uani 1 1 d . . . . .
H4 H 1.1205 0.2841 0.5794 0.036 Uiso 1 1 calc R U . . .
C5 C 1.0231(2) 0.2457(5) 0.50934(17) 0.0273(8) Uani 1 1 d . . . . .
H5 H 1.0512 0.1968 0.4785 0.033 Uiso 1 1 calc R U . . .
C6 C 0.6697(3) 0.8987(5) 0.48209(19) 0.0311(9) Uani 1 1 d . . . . .
H6A H 0.6616 0.8679 0.4402 0.047 Uiso 1 1 calc R U . . .
H6B H 0.7021 1.0041 0.4870 0.047 Uiso 1 1 calc R U . . .
H6C H 0.6124 0.9120 0.4963 0.047 Uiso 1 1 calc R U . . .
C7 C 0.7198(2) 0.7648(4) 0.51667(15) 0.0174(6) Uani 1 1 d . . . . .
C8 C 0.7880(2) 0.8039(4) 0.56484(14) 0.0162(6) Uani 1 1 d . . . . .
C9 C 0.8841(2) 0.9125(4) 0.63321(16) 0.0215(7) Uani 1 1 d . . . . .
H9 H 0.9195 0.9873 0.6579 0.026 Uiso 1 1 calc R U . . .
C10 C 0.8227(2) 0.9559(4) 0.58700(16) 0.0203(7) Uani 1 1 d . . . . .
H10 H 0.8072 1.0650 0.5732 0.024 Uiso 1 1 calc R U . . .
C11 C 0.5483(2) 0.1637(6) 0.60776(18) 0.0285(8) Uani 1 1 d . . . . .
H11A H 0.5399 0.0692 0.5804 0.043 Uiso 1 1 calc R U . . .
H11B H 0.5036 0.2486 0.5966 0.043 Uiso 1 1 calc R U . . .
H11C H 0.5433 0.1252 0.6480 0.043 Uiso 1 1 calc R U . . .
C12 C 0.6375(2) 0.2378(4) 0.60512(15) 0.0191(7) Uani 1 1 d . . . . .
C13 C 0.7044(2) 0.2400(4) 0.65589(15) 0.0181(7) Uani 1 1 d . . . . .
C14 C 0.7920(2) 0.1952(5) 0.73742(16) 0.0256(8) Uani 1 1 d . . . . .
H14 H 0.8167 0.1580 0.7753 0.031 Uiso 1 1 calc R U . . .
C15 C 0.7098(2) 0.1568(5) 0.71013(16) 0.0239(7) Uani 1 1 d . . . . .
H15 H 0.6666 0.0891 0.7249 0.029 Uiso 1 1 calc R U . . .
C16 C 0.5583(2) 0.3437(4) 0.40260(15) 0.0169(6) Uani 1 1 d . . . . .
C17 C 0.5748(3) 0.2913(6) 0.34667(17) 0.0303(9) Uani 1 1 d . . . . .
H17 H 0.6334 0.2813 0.3379 0.036 Uiso 1 1 calc R U . . .
C18 C 0.5064(3) 0.2537(7) 0.30382(18) 0.0362(10) Uani 1 1 d . . . . .
H18 H 0.5203 0.2183 0.2662 0.043 Uiso 1 1 calc R U . . .
C19 C 0.4063(3) 0.3190(6) 0.36452(17) 0.0299(9) Uani 1 1 d . . . . .
H19 H 0.3469 0.3320 0.3712 0.036 Uiso 1 1 calc R U . . .
C20 C 0.4708(2) 0.3586(5) 0.41025(17) 0.0246(8) Uani 1 1 d . . . . .
H20 H 0.4547 0.3961 0.4470 0.030 Uiso 1 1 calc R U . . .
Co1 Co 0.78535(3) 0.43264(5) 0.56437(2) 0.01426(14) Uani 1 1 d . . . . .
N1 N 0.78849(18) 0.3186(3) 0.47946(12) 0.0162(6) Uani 1 1 d . . . . .
N2 N 0.91884(19) 0.3522(4) 0.56048(13) 0.0190(6) Uani 1 1 d . . . . .
N3 N 0.99698(19) 0.3566(4) 0.59390(14) 0.0228(6) Uani 1 1 d . . . . .
H3 H 1.0030 0.3943 0.6299 0.027 Uiso 1 1 d R U . . .
N4 N 0.70808(18) 0.6067(4) 0.50882(12) 0.0156(5) Uani 1 1 d . . . . .
N5 N 0.82609(18) 0.6749(3) 0.59565(12) 0.0162(6) Uani 1 1 d . . . . .
N6 N 0.8848(2) 0.7443(4) 0.63702(13) 0.0198(6) Uani 1 1 d . . . . .
H6 H 0.9299 0.6946 0.6632 0.024 Uiso 1 1 d R U . . .
N7 N 0.66394(18) 0.3028(3) 0.55890(12) 0.0159(5) Uani 1 1 d . . . . .
N8 N 0.77838(19) 0.3250(4) 0.65047(12) 0.0180(6) Uani 1 1 d . . . . .
N9 N 0.8310(2) 0.2940(4) 0.70097(13) 0.0199(6) Uani 1 1 d . . . . .
H9A H 0.8889 0.3362 0.7087 0.024 Uiso 1 1 d R U . . .
N10 N 0.4233(2) 0.2639(5) 0.31181(14) 0.0310(8) Uani 1 1 d . . . . .
O1 O 0.71585(15) 0.3043(3) 0.43828(10) 0.0179(5) Uani 1 1 d . . . . .
O2 O 0.64286(16) 0.5627(3) 0.46471(10) 0.0185(5) Uani 1 1 d . . . . .
O3 O 0.60413(15) 0.2974(3) 0.50867(10) 0.0191(5) Uani 1 1 d . . . . .
C1S C 0.2742(3) 0.2768(6) 0.20744(19) 0.0329(9) Uani 1 1 d . . . . .
H1S H 0.3068 0.2386 0.2456 0.039 Uiso 1 1 calc R U . . .
Cl1S Cl 0.32856(9) 0.45164(17) 0.18206(6) 0.0500(3) Uani 1 1 d . . . . .
Cl2S Cl 0.27274(9) 0.11274(16) 0.15584(5) 0.0432(3) Uani 1 1 d . . . . .
Cl3S Cl 0.16758(8) 0.33122(17) 0.22020(5) 0.0422(3) Uani 1 1 d . . . . .
Cl1 Cl 1.00374(6) 0.51020(11) 0.71936(4) 0.0233(2) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
B1 C16 1.611(5) . ?
B1 O1 1.484(4) . ?
B1 O2 1.491(4) . ?
B1 O3 1.489(4) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C1 C2 1.491(5) . ?
C2 C3 1.468(5) . ?
C2 N1 1.282(4) . ?
C3 C5 1.392(5) . ?
C3 N2 1.340(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.376(6) . ?
C4 N3 1.343(5) . ?
C5 H5 0.9500 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C6 C7 1.491(5) . ?
C7 C8 1.462(5) . ?
C7 N4 1.289(4) . ?
C8 C10 1.400(5) . ?
C8 N5 1.344(4) . ?
C9 H9 0.9500 . ?
C9 C10 1.375(5) . ?
C9 N6 1.350(5) . ?
C10 H10 0.9500 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C11 C12 1.502(5) . ?
C12 C13 1.457(5) . ?
C12 N7 1.283(4) . ?
C13 C15 1.398(5) . ?
C13 N8 1.345(5) . ?
C14 H14 0.9500 . ?
C14 C15 1.377(5) . ?
C14 N9 1.338(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.393(5) . ?
C16 C20 1.383(5) . ?
C17 H17 0.9500 . ?
C17 C18 1.383(5) . ?
C18 H18 0.9500 . ?
C18 N10 1.314(5) . ?
C19 H19 0.9500 . ?
C19 C20 1.389(5) . ?
C19 N10 1.334(5) . ?
C20 H20 0.9500 . ?
Co1 N1 2.145(3) . ?
Co1 N2 2.164(3) . ?
Co1 N4 2.147(3) . ?
Co1 N5 2.136(3) . ?
Co1 N7 2.129(3) . ?
Co1 N8 2.157(3) . ?
N1 O1 1.378(3) . ?
N2 N3 1.347(4) . ?
N3 H3 0.8684 . ?
N4 O2 1.381(4) . ?
N5 N6 1.348(4) . ?
N6 H6 0.9481 . ?
N7 O3 1.384(3) . ?
N8 N9 1.351(4) . ?
N9 H9A 0.9505 . ?
C1S H1S 1.0000 . ?
C1S Cl1S 1.763(5) . ?
C1S Cl2S 1.762(5) . ?
C1S Cl3S 1.753(5) . ?

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 B1 C16 106.8(3) . . ?
O1 B1 O2 111.7(3) . . ?
O1 B1 O3 113.3(3) . . ?
O2 B1 C16 108.5(3) . . ?
O3 B1 C16 105.3(3) . . ?
O3 B1 O2 110.7(3) . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
C3 C2 C1 121.4(3) . . ?
N1 C2 C1 125.8(3) . . ?
N1 C2 C3 112.8(3) . . ?
C5 C3 C2 131.3(3) . . ?
N2 C3 C2 117.3(3) . . ?
N2 C3 C5 111.4(3) . . ?
C5 C4 H4 126.0 . . ?
N3 C4 H4 126.0 . . ?
N3 C4 C5 108.1(3) . . ?
C3 C5 H5 127.9 . . ?
C4 C5 C3 104.1(3) . . ?
C4 C5 H5 127.9 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C7 C6 H6A 109.5 . . ?
C7 C6 H6B 109.5 . . ?
C7 C6 H6C 109.5 . . ?
C8 C7 C6 121.7(3) . . ?
N4 C7 C6 125.3(3) . . ?
N4 C7 C8 113.0(3) . . ?
C10 C8 C7 131.9(3) . . ?
N5 C8 C7 117.4(3) . . ?
N5 C8 C10 110.8(3) . . ?
C10 C9 H9 126.2 . . ?
N6 C9 H9 126.2 . . ?
N6 C9 C10 107.6(3) . . ?
C8 C10 H10 127.6 . . ?
C9 C10 C8 104.8(3) . . ?
C9 C10 H10 127.6 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C12 C11 H11A 109.5 . . ?
C12 C11 H11B 109.5 . . ?
C12 C11 H11C 109.5 . . ?
C13 C12 C11 122.5(3) . . ?
N7 C12 C11 124.9(3) . . ?
N7 C12 C13 112.6(3) . . ?
C15 C13 C12 131.4(3) . . ?
N8 C13 C12 117.5(3) . . ?
N8 C13 C15 111.0(3) . . ?
C15 C14 H14 126.1 . . ?
N9 C14 H14 126.1 . . ?
N9 C14 C15 107.8(3) . . ?
C13 C15 H15 127.7 . . ?
C14 C15 C13 104.5(3) . . ?
C14 C15 H15 127.7 . . ?
C17 C16 B1 123.3(3) . . ?
C20 C16 B1 121.6(3) . . ?
C20 C16 C17 115.1(3) . . ?
C16 C17 H17 119.8 . . ?
C18 C17 C16 120.5(4) . . ?
C18 C17 H17 119.8 . . ?
C17 C18 H18 117.9 . . ?
N10 C18 C17 124.1(4) . . ?
N10 C18 H18 117.9 . . ?
C20 C19 H19 118.2 . . ?
N10 C19 H19 118.2 . . ?
N10 C19 C20 123.6(4) . . ?
C16 C20 C19 120.5(3) . . ?
C16 C20 H20 119.8 . . ?
C19 C20 H20 119.8 . . ?
N1 Co1 N2 73.47(11) . . ?
N1 Co1 N4 79.26(11) . . ?
N1 Co1 N8 131.21(11) . . ?
N4 Co1 N2 129.22(11) . . ?
N4 Co1 N8 135.48(11) . . ?
N5 Co1 N1 130.65(11) . . ?
N5 Co1 N2 92.33(11) . . ?
N5 Co1 N4 74.22(11) . . ?
N5 Co1 N8 95.92(11) . . ?
N7 Co1 N1 81.41(11) . . ?
N7 Co1 N2 133.07(11) . . ?
N7 Co1 N4 81.97(11) . . ?
N7 Co1 N5 133.21(11) . . ?
N7 Co1 N8 73.87(11) . . ?
N8 Co1 N2 93.79(11) . . ?
C2 N1 Co1 121.0(2) . . ?
C2 N1 O1 115.7(3) . . ?
O1 N1 Co1 123.2(2) . . ?
C3 N2 Co1 115.4(2) . . ?
C3 N2 N3 105.2(3) . . ?
N3 N2 Co1 139.3(2) . . ?
C4 N3 N2 111.2(3) . . ?
C4 N3 H3 126.6 . . ?
N2 N3 H3 122.2 . . ?
C7 N4 Co1 119.8(2) . . ?
C7 N4 O2 115.4(3) . . ?
O2 N4 Co1 124.7(2) . . ?
C8 N5 Co1 115.5(2) . . ?
C8 N5 N6 105.4(3) . . ?
N6 N5 Co1 139.0(2) . . ?
C9 N6 H6 117.4 . . ?
N5 N6 C9 111.5(3) . . ?
N5 N6 H6 130.5 . . ?
C12 N7 Co1 120.7(2) . . ?
C12 N7 O3 115.0(3) . . ?
O3 N7 Co1 124.0(2) . . ?
C13 N8 Co1 114.7(2) . . ?
C13 N8 N9 105.0(3) . . ?
N9 N8 Co1 139.5(2) . . ?
C14 N9 N8 111.7(3) . . ?
C14 N9 H9A 125.0 . . ?
N8 N9 H9A 123.3 . . ?
C18 N10 C19 116.2(3) . . ?
N1 O1 B1 115.2(2) . . ?
N4 O2 B1 113.3(2) . . ?
N7 O3 B1 114.4(2) . . ?
Cl1S C1S H1S 108.5 . . ?
Cl2S C1S H1S 108.5 . . ?
Cl2S C1S Cl1S 110.1(2) . . ?
Cl3S C1S H1S 108.5 . . ?
Cl3S C1S Cl1S 110.3(2) . . ?
Cl3S C1S Cl2S 110.9(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
B1 C16 C17 C18 176.1(4) . . . . ?
B1 C16 C20 C19 -176.5(4) . . . . ?
C1 C2 C3 C5 -0.6(6) . . . . ?
C1 C2 C3 N2 179.3(3) . . . . ?
C1 C2 N1 Co1 -176.0(3) . . . . ?
C1 C2 N1 O1 1.0(5) . . . . ?
C2 C3 C5 C4 179.7(4) . . . . ?
C2 C3 N2 Co1 -3.2(4) . . . . ?
C2 C3 N2 N3 -179.6(3) . . . . ?
C2 N1 O1 B1 -175.1(3) . . . . ?
C3 C2 N1 Co1 2.8(4) . . . . ?
C3 C2 N1 O1 179.8(3) . . . . ?
C3 N2 N3 C4 -0.2(4) . . . . ?
C5 C3 N2 Co1 176.7(3) . . . . ?
C5 C3 N2 N3 0.3(4) . . . . ?
C5 C4 N3 N2 0.1(5) . . . . ?
C6 C7 C8 C10 -2.8(6) . . . . ?
C6 C7 C8 N5 176.3(3) . . . . ?
C6 C7 N4 Co1 -178.8(3) . . . . ?
C6 C7 N4 O2 -0.5(5) . . . . ?
C7 C8 C10 C9 179.0(4) . . . . ?
C7 C8 N5 Co1 4.0(4) . . . . ?
C7 C8 N5 N6 -179.4(3) . . . . ?
C7 N4 O2 B1 177.7(3) . . . . ?
C8 C7 N4 Co1 0.2(4) . . . . ?
C8 C7 N4 O2 178.5(3) . . . . ?
C8 N5 N6 C9 0.5(4) . . . . ?
C10 C8 N5 Co1 -176.8(2) . . . . ?
C10 C8 N5 N6 -0.2(4) . . . . ?
C10 C9 N6 N5 -0.5(4) . . . . ?
C11 C12 C13 C15 12.7(6) . . . . ?
C11 C12 C13 N8 -173.1(3) . . . . ?
C11 C12 N7 Co1 171.6(3) . . . . ?
C11 C12 N7 O3 -1.6(5) . . . . ?
C12 C13 C15 C14 174.0(4) . . . . ?
C12 C13 N8 Co1 -3.0(4) . . . . ?
C12 C13 N8 N9 -174.6(3) . . . . ?
C12 N7 O3 B1 177.9(3) . . . . ?
C13 C12 N7 Co1 -9.5(4) . . . . ?
C13 C12 N7 O3 177.3(3) . . . . ?
C13 N8 N9 C14 -0.7(4) . . . . ?
C15 C13 N8 Co1 172.4(2) . . . . ?
C15 C13 N8 N9 0.7(4) . . . . ?
C15 C14 N9 N8 0.5(4) . . . . ?
C16 B1 O1 N1 -178.5(2) . . . . ?
C16 B1 O2 N4 -178.7(3) . . . . ?
C16 B1 O3 N7 175.5(2) . . . . ?
C16 C17 C18 N10 0.1(8) . . . . ?
C17 C16 C20 C19 1.4(6) . . . . ?
C17 C18 N10 C19 2.0(7) . . . . ?
C20 C16 C17 C18 -1.8(6) . . . . ?
C20 C19 N10 C18 -2.4(7) . . . . ?
Co1 N1 O1 B1 1.8(4) . . . . ?
Co1 N2 N3 C4 -175.2(3) . . . . ?
Co1 N4 O2 B1 -4.0(4) . . . . ?
Co1 N5 N6 C9 175.8(3) . . . . ?
Co1 N7 O3 B1 5.0(4) . . . . ?
Co1 N8 N9 C14 -169.0(3) . . . . ?
N1 C2 C3 C5 -179.5(4) . . . . ?
N1 C2 C3 N2 0.4(5) . . . . ?
N2 C3 C5 C4 -0.2(5) . . . . ?
N3 C4 C5 C3 0.1(5) . . . . ?
N4 C7 C8 C10 178.2(4) . . . . ?
N4 C7 C8 N5 -2.8(5) . . . . ?
N5 C8 C10 C9 -0.1(4) . . . . ?
N6 C9 C10 C8 0.4(4) . . . . ?
N7 C12 C13 C15 -166.2(4) . . . . ?
N7 C12 C13 N8 8.0(5) . . . . ?
N8 C13 C15 C14 -0.5(4) . . . . ?
N9 C14 C15 C13 0.0(4) . . . . ?
N10 C19 C20 C16 0.7(7) . . . . ?
O1 B1 C16 C17 -14.2(5) . . . . ?
O1 B1 C16 C20 163.6(3) . . . . ?
O1 B1 O2 N4 -61.1(3) . . . . ?
O1 B1 O3 N7 59.1(4) . . . . ?
O2 B1 C16 C17 106.4(4) . . . . ?
O2 B1 C16 C20 -75.8(4) . . . . ?
O2 B1 O1 N1 62.9(3) . . . . ?
O2 B1 O3 N7 -67.3(3) . . . . ?
O3 B1 C16 C17 -135.0(4) . . . . ?
O3 B1 C16 C20 42.8(4) . . . . ?
O3 B1 O1 N1 -63.0(4) . . . . ?
O3 B1 O2 N4 66.2(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
