# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 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_mo_cobpy2_2_0m
_database_code_depnum_ccdc_archive 'CCDC 2104094'
loop_
_audit_author_name
_audit_author_address
'Somnath Maji'
;IIT Hyderabad
India
;
_audit_update_record             
;
2021-08-18 deposited with the CCDC.	2021-11-25 downloaded from the CCDC.
;
_audit_creation_date             2021-06-30
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        Co(BPY)2
_chemical_formula_moiety         'C20 H16 Cl2 Co N4, 2(H2 O)'
_chemical_formula_sum            'C20 H20 Cl2 Co N4 O2'
_chemical_formula_weight         478.23
_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                   18.645(3)
_cell_length_b                   13.0336(17)
_cell_length_c                   11.1471(18)
_cell_angle_alpha                90
_cell_angle_beta                 121.377(5)
_cell_angle_gamma                90
_cell_volume                     2312.7(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5682
_cell_measurement_temperature    273.15
_cell_measurement_theta_max      26.95
_cell_measurement_theta_min      2.56
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.995
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.5973
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1261 before and 0.0411 after correction.
The Ratio of minimum to maximum transmission is 0.8012.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic brownish orange'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   brownish
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.374
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             980
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.03
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0274
_diffrn_reflns_av_unetI/netI     0.0259
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            9829
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.156
_diffrn_reflns_theta_min         2.019
_diffrn_ambient_temperature      273.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.995
_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           1.4
_diffrn_source_power             0.07
_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                2205
_reflns_number_total             2557
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_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    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.189
_refine_diff_density_min         -0.174
_refine_diff_density_rms         0.040
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     135
_refine_ls_number_reflns         2557
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0341
_refine_ls_R_factor_gt           0.0274
_refine_ls_restrained_S_all      1.093
_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)+(0.0352P)²+0.9786P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0753
_refine_ls_wR_factor_ref         0.0779
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H,H) groups
2.a Free rotating group:
 O1(H1A,H1B)
2.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C4(H4), C7(H7), C10(H10), C2(H2), C3(H3), C9(H9), C8(H8)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.500000 0.20446(2) 0.750000 0.03533(11) Uani 1 2 d S T P . .
Cl1 Cl 0.42410(3) 0.07610(3) 0.56904(5) 0.04538(13) Uani 1 1 d . . . . .
N1 N 0.59969(9) 0.21808(10) 0.70829(15) 0.0382(3) Uani 1 1 d . . . . .
N2 N 0.57923(9) 0.32287(11) 0.89129(16) 0.0419(3) Uani 1 1 d . . . . .
C6 C 0.64965(10) 0.34382(12) 0.89013(18) 0.0391(4) Uani 1 1 d . . . . .
C5 C 0.66202(10) 0.28453(12) 0.78967(18) 0.0367(4) Uani 1 1 d . . . . .
O1 O 0.39403(15) 0.09818(17) 0.2531(2) 0.0958(7) Uani 1 1 d G . . . .
H1A H 0.407171 0.085818 0.336990 0.144 Uiso 1 1 d G U . . .
H1B H 0.413634 0.047496 0.231054 0.144 Uiso 1 1 d G U . . .
C1 C 0.60758(12) 0.16300(15) 0.6145(2) 0.0462(4) Uani 1 1 d . . . . .
H1 H 0.565427 0.116307 0.558884 0.055 Uiso 1 1 calc R U . . .
C4 C 0.73184(12) 0.29542(14) 0.7781(2) 0.0488(5) Uani 1 1 d . . . . .
H4 H 0.774461 0.340669 0.836612 0.059 Uiso 1 1 calc R U . . .
C7 C 0.70635(13) 0.41719(15) 0.9797(2) 0.0557(5) Uani 1 1 d . . . . .
H7 H 0.754874 0.430946 0.978334 0.067 Uiso 1 1 calc R U . . .
C10 C 0.56527(13) 0.37371(16) 0.9808(2) 0.0577(5) Uani 1 1 d . . . . .
H10 H 0.516974 0.358590 0.982225 0.069 Uiso 1 1 calc R U . . .
C2 C 0.67464(13) 0.17174(17) 0.5959(2) 0.0553(5) Uani 1 1 d . . . . .
H2 H 0.677107 0.132979 0.528131 0.066 Uiso 1 1 calc R U . . .
C3 C 0.73798(13) 0.23907(17) 0.6798(2) 0.0572(5) Uani 1 1 d . . . . .
H3 H 0.784342 0.246337 0.670154 0.069 Uiso 1 1 calc R U . . .
C9 C 0.61904(16) 0.44775(18) 1.0715(3) 0.0709(7) Uani 1 1 d . . . . .
H9 H 0.607098 0.482239 1.132111 0.085 Uiso 1 1 calc R U . . .
C8 C 0.69026(15) 0.46908(17) 1.0699(3) 0.0699(7) Uani 1 1 d . . . . .
H8 H 0.727655 0.518633 1.129894 0.084 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 Cl1 2.4285(5) . ?
Co1 Cl1 2.4285(5) 2_656 ?
Co1 N1 2.1454(14) 2_656 ?
Co1 N1 2.1454(14) . ?
Co1 N2 2.1498(15) 2_656 ?
Co1 N2 2.1498(15) . ?
N1 C5 1.351(2) . ?
N1 C1 1.338(2) . ?
N2 C6 1.348(2) . ?
N2 C10 1.331(2) . ?
C6 C5 1.474(2) . ?
C6 C7 1.389(2) . ?
C5 C4 1.380(3) . ?
O1 H1A 0.8492 . ?
O1 H1B 0.8510 . ?
C1 H1 0.9300 . ?
C1 C2 1.374(3) . ?
C4 H4 0.9300 . ?
C4 C3 1.372(3) . ?
C7 H7 0.9300 . ?
C7 C8 1.369(3) . ?
C10 H10 0.9300 . ?
C10 C9 1.380(3) . ?
C2 H2 0.9300 . ?
C2 C3 1.375(3) . ?
C3 H3 0.9300 . ?
C9 H9 0.9300 . ?
C9 C8 1.366(3) . ?
C8 H8 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
Cl1 Co1 Cl1 92.92(3) 2_656 . ?
N1 Co1 Cl1 92.36(4) . 2_656 ?
N1 Co1 Cl1 94.18(4) 2_656 2_656 ?
N1 Co1 Cl1 94.18(4) . . ?
N1 Co1 Cl1 92.36(4) 2_656 . ?
N1 Co1 N1 170.50(7) . 2_656 ?
N1 Co1 N2 97.13(6) . 2_656 ?
N1 Co1 N2 75.93(6) . . ?
N1 Co1 N2 97.13(6) 2_656 . ?
N1 Co1 N2 75.93(6) 2_656 2_656 ?
N2 Co1 Cl1 90.29(4) 2_656 . ?
N2 Co1 Cl1 169.73(4) . . ?
N2 Co1 Cl1 90.29(4) . 2_656 ?
N2 Co1 Cl1 169.73(4) 2_656 2_656 ?
N2 Co1 N2 88.24(8) 2_656 . ?
C5 N1 Co1 116.54(11) . . ?
C1 N1 Co1 125.81(12) . . ?
C1 N1 C5 117.55(15) . . ?
C6 N2 Co1 116.08(11) . . ?
C10 N2 Co1 125.34(13) . . ?
C10 N2 C6 118.55(16) . . ?
N2 C6 C5 116.08(14) . . ?
N2 C6 C7 120.88(17) . . ?
C7 C6 C5 123.04(17) . . ?
N1 C5 C6 115.21(15) . . ?
N1 C5 C4 121.77(16) . . ?
C4 C5 C6 123.02(15) . . ?
H1A O1 H1B 104.5 . . ?
N1 C1 H1 118.3 . . ?
N1 C1 C2 123.50(17) . . ?
C2 C1 H1 118.3 . . ?
C5 C4 H4 120.2 . . ?
C3 C4 C5 119.61(17) . . ?
C3 C4 H4 120.2 . . ?
C6 C7 H7 120.3 . . ?
C8 C7 C6 119.5(2) . . ?
C8 C7 H7 120.3 . . ?
N2 C10 H10 118.4 . . ?
N2 C10 C9 123.1(2) . . ?
C9 C10 H10 118.4 . . ?
C1 C2 H2 120.7 . . ?
C1 C2 C3 118.51(19) . . ?
C3 C2 H2 120.7 . . ?
C4 C3 C2 119.05(18) . . ?
C4 C3 H3 120.5 . . ?
C2 C3 H3 120.5 . . ?
C10 C9 H9 120.9 . . ?
C8 C9 C10 118.3(2) . . ?
C8 C9 H9 120.9 . . ?
C7 C8 H8 120.1 . . ?
C9 C8 C7 119.7(2) . . ?
C9 C8 H8 120.1 . . ?

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 N1 C5 C6 -3.95(18) . . . . ?
Co1 N1 C5 C4 176.18(13) . . . . ?
Co1 N1 C1 C2 -177.17(15) . . . . ?
Co1 N2 C6 C5 1.43(19) . . . . ?
Co1 N2 C6 C7 -178.42(14) . . . . ?
Co1 N2 C10 C9 178.63(18) . . . . ?
N1 C5 C4 C3 1.3(3) . . . . ?
N1 C1 C2 C3 1.3(3) . . . . ?
N2 C6 C5 N1 1.7(2) . . . . ?
N2 C6 C5 C4 -178.48(16) . . . . ?
N2 C6 C7 C8 -0.2(3) . . . . ?
N2 C10 C9 C8 -0.6(4) . . . . ?
C6 N2 C10 C9 0.7(3) . . . . ?
C6 C5 C4 C3 -178.57(18) . . . . ?
C6 C7 C8 C9 0.4(4) . . . . ?
C5 N1 C1 C2 -0.9(3) . . . . ?
C5 C6 C7 C8 179.94(19) . . . . ?
C5 C4 C3 C2 -0.8(3) . . . . ?
C1 N1 C5 C6 179.46(15) . . . . ?
C1 N1 C5 C4 -0.4(2) . . . . ?
C1 C2 C3 C4 -0.4(3) . . . . ?
C7 C6 C5 N1 -178.50(16) . . . . ?
C7 C6 C5 C4 1.4(3) . . . . ?
C10 N2 C6 C5 179.52(17) . . . . ?
C10 N2 C6 C7 -0.3(3) . . . . ?
C10 C9 C8 C7 0.0(4) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 -0.148 0.250 79.8 15.2 ?
2 0.000 0.148 0.750 79.8 15.0 ?
3 0.500 0.352 0.250 79.8 15.2 ?
4 0.500 0.648 0.750 79.8 15.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_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_exp_8906
_database_code_depnum_ccdc_archive 'CCDC 2104095'
loop_
_audit_author_name
_audit_author_address
'Somnath Maji'
;Assistant Professor
India
;
_audit_update_record             
;
2021-11-01 deposited with the CCDC.	2021-11-25 downloaded from the CCDC.
;
# end Validation Reply Form
_audit_creation_date             2021-10-30
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.10.07 svn.r9718050b for OlexSys, GUI svn.r6410)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C26 H22 Cl2 Co N10'
_chemical_formula_sum            'C26 H22 Cl2 Co N10'
_chemical_formula_weight         604.36
_chemical_absolute_configuration ?
_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 0.0181 0.0091 '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 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co -2.3653 3.6143 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 '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      orthorhombic
_space_group_IT_number           33
_space_group_name_H-M_alt        'P n a 21'
_space_group_name_Hall           'P 2c -2n'
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'

_cell_length_a                   18.2363(5)
_cell_length_b                   7.2361(2)
_cell_length_c                   19.5525(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2580.14(13)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2461
_cell_measurement_temperature    273.0
_cell_measurement_theta_max      69.7970
_cell_measurement_theta_min      4.5220
_shelx_estimated_absorpt_T_max   0.755
_shelx_estimated_absorpt_T_min   0.664
_exptl_absorpt_coefficient_mu    7.436
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.48882
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46e (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear pinkish pink'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   pinkish
_exptl_crystal_colour_primary    pink
_exptl_crystal_density_diffrn    1.556
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1236
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0247
_diffrn_reflns_av_unetI/netI     0.0368
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            5717
_diffrn_reflns_point_group_measured_fraction_full 0.697
_diffrn_reflns_point_group_measured_fraction_max 0.682
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         70.003
_diffrn_reflns_theta_min         4.523
_diffrn_ambient_temperature      273.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_reflns_Friedel_coverage         0.341
_reflns_Friedel_fraction_full    0.374
_reflns_Friedel_fraction_max     0.358
_reflns_number_gt                3060
_reflns_number_total             3336
_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.474
_refine_diff_density_min         -0.652
_refine_diff_density_rms         0.110
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.275(9)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     355
_refine_ls_number_reflns         3336
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0686
_refine_ls_R_factor_gt           0.0638
_refine_ls_restrained_S_all      1.076
_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)+(0.1224P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1589
_refine_ls_wR_factor_ref         0.1651
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.72472
 0.27528
2.a Aromatic/amide H refined with riding coordinates:
 C14(H14), C12(H12), C17(H17), C10(H10), C4(H4), C16(H16), C26(H26), C1(H1),
 C15(H15), C23(H23), C11(H11), C3(H3), C2(H2), C25(H25), C13(H13), C24(H24)
2.b Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C20(H20A,H20B,H20C)
;
_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 0.62650(6) 0.64762(13) 0.49764(7) 0.0286(3) Uani 1 1 d . . . . .
Cl1 Cl 0.58497(10) 0.8470(3) 0.40721(12) 0.0513(6) Uani 1 1 d . . . . .
Cl2 Cl 0.66879(10) 0.8785(3) 0.57984(12) 0.0529(6) Uani 1 1 d . . . . .
N6 N 0.5170(3) 0.6333(8) 0.5395(3) 0.0305(13) Uani 1 1 d . . . . .
N2 N 0.6768(3) 0.4378(8) 0.5648(3) 0.0294(12) Uani 1 1 d . . . . .
N9 N 0.5137(3) 0.2839(9) 0.3553(3) 0.0334(13) Uani 1 1 d . . . . .
N1 N 0.7369(3) 0.6252(8) 0.4594(3) 0.0312(13) Uani 1 1 d . . . . .
N8 N 0.4610(3) 0.3484(9) 0.3978(4) 0.0354(14) Uani 1 1 d . . . . .
N4 N 0.7323(3) 0.3003(10) 0.6496(3) 0.0350(13) Uani 1 1 d . . . . .
N10 N 0.6534(4) 0.2717(11) 0.2790(4) 0.0444(16) Uani 1 1 d . . . . .
N3 N 0.7869(4) 0.3561(8) 0.6064(4) 0.0361(14) Uani 1 1 d . . . . .
N7 N 0.5741(3) 0.4211(8) 0.4372(3) 0.0290(12) Uani 1 1 d . . . . .
N5 N 0.5910(4) 0.3548(9) 0.7233(4) 0.0412(16) Uani 1 1 d . . . . .
C8 C 0.6670(4) 0.3508(9) 0.6235(4) 0.0291(14) Uani 1 1 d . . . . .
C22 C 0.6510(4) 0.2728(10) 0.3472(4) 0.0305(15) Uani 1 1 d . . . . .
C9 C 0.5952(4) 0.3143(10) 0.6570(4) 0.0322(15) Uani 1 1 d . . . . .
C14 C 0.4933(4) 0.7225(12) 0.5947(4) 0.0384(17) Uani 1 1 d . . . . .
H14 H 0.526543 0.793274 0.619494 0.046 Uiso 1 1 calc R U . . .
C21 C 0.5812(4) 0.3271(9) 0.3798(4) 0.0283(14) Uani 1 1 d . . . . .
C18 C 0.4686(3) 0.5273(9) 0.5047(3) 0.0269(13) Uani 1 1 d . . . . .
C5 C 0.7838(3) 0.5266(9) 0.4974(4) 0.0294(13) Uani 1 1 d . . . . .
C12 C 0.4655(4) 0.2580(11) 0.7194(5) 0.0404(18) Uani 1 1 d . . . . .
H12 H 0.421106 0.241645 0.741938 0.048 Uiso 1 1 calc R U . . .
C17 C 0.3956(4) 0.5122(11) 0.5237(4) 0.0340(15) Uani 1 1 d . . . . .
H17 H 0.363417 0.439466 0.498444 0.041 Uiso 1 1 calc R U . . .
C19 C 0.4993(3) 0.4334(9) 0.4462(4) 0.0293(14) Uani 1 1 d . . . . .
C6 C 0.7510(3) 0.4358(9) 0.5574(4) 0.0293(14) Uani 1 1 d . . . . .
C10 C 0.5382(4) 0.2425(11) 0.6189(4) 0.0351(17) Uani 1 1 d . . . . .
H10 H 0.544436 0.212731 0.572962 0.042 Uiso 1 1 calc R U . . .
C4 C 0.8581(4) 0.5089(11) 0.4809(4) 0.0378(16) Uani 1 1 d . . . . .
H4 H 0.889080 0.436983 0.507720 0.045 Uiso 1 1 calc R U . . .
C16 C 0.3716(4) 0.6068(12) 0.5804(4) 0.0399(17) Uani 1 1 d . . . . .
H16 H 0.322887 0.598711 0.594214 0.048 Uiso 1 1 calc R U . . .
C26 C 0.7182(5) 0.2258(15) 0.2501(5) 0.049(2) Uani 1 1 d . . . . .
H26 H 0.721672 0.225752 0.202654 0.058 Uiso 1 1 calc R U . . .
C1 C 0.7626(4) 0.7127(12) 0.4034(5) 0.0390(17) Uani 1 1 d . . . . .
H1 H 0.730393 0.781204 0.376580 0.047 Uiso 1 1 calc R U . . .
C15 C 0.4210(4) 0.7146(13) 0.6169(4) 0.0442(19) Uani 1 1 d . . . . .
H15 H 0.405968 0.780157 0.655330 0.053 Uiso 1 1 calc R U . . .
C23 C 0.7092(4) 0.2261(12) 0.3881(5) 0.0386(18) Uani 1 1 d . . . . .
H23 H 0.704500 0.223498 0.435405 0.046 Uiso 1 1 calc R U . . .
C11 C 0.4718(4) 0.2164(14) 0.6509(5) 0.048(2) Uani 1 1 d . . . . .
H11 H 0.431702 0.171297 0.626641 0.058 Uiso 1 1 calc R U . . .
C3 C 0.8846(4) 0.6003(12) 0.4239(4) 0.0403(17) Uani 1 1 d . . . . .
H3 H 0.933962 0.593260 0.412119 0.048 Uiso 1 1 calc R U . . .
C2 C 0.8358(5) 0.7029(13) 0.3847(4) 0.0455(19) Uani 1 1 d . . . . .
H2 H 0.852297 0.764980 0.345987 0.055 Uiso 1 1 calc R U . . .
C25 C 0.7791(5) 0.1791(13) 0.2876(5) 0.049(2) Uani 1 1 d . . . . .
H25 H 0.822331 0.145474 0.265689 0.059 Uiso 1 1 calc R U . . .
C7 C 0.7490(5) 0.1893(15) 0.7094(5) 0.050(2) Uani 1 1 d . . . . .
H7A H 0.789308 0.108442 0.699334 0.076 Uiso 1 1 calc R U . . .
H7B H 0.706813 0.117241 0.721645 0.076 Uiso 1 1 calc R U . . .
H7C H 0.761965 0.268912 0.746781 0.076 Uiso 1 1 calc R U . . .
C13 C 0.5256(5) 0.3241(12) 0.7541(5) 0.046(2) Uani 1 1 d . . . . .
H13 H 0.521174 0.348632 0.800605 0.055 Uiso 1 1 calc R U . . .
C24 C 0.7754(5) 0.1826(13) 0.3569(5) 0.046(2) Uani 1 1 d . . . . .
H24 H 0.816666 0.156343 0.383129 0.055 Uiso 1 1 calc R U . . .
C20 C 0.4926(5) 0.1778(14) 0.2954(4) 0.050(2) Uani 1 1 d . . . . .
H20A H 0.441099 0.151196 0.297413 0.075 Uiso 1 1 calc R U . . .
H20B H 0.519763 0.064203 0.294427 0.075 Uiso 1 1 calc R U . . .
H20C H 0.503064 0.247962 0.254918 0.075 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 Cl1 2.404(2) . ?
Co1 Cl2 2.443(2) . ?
Co1 N6 2.161(6) . ?
Co1 N2 2.207(6) . ?
Co1 N1 2.154(6) . ?
Co1 N7 2.236(6) . ?
N6 C14 1.329(10) . ?
N6 C18 1.352(9) . ?
N2 C8 1.321(9) . ?
N2 C6 1.360(8) . ?
N9 N8 1.354(9) . ?
N9 C21 1.358(9) . ?
N9 C20 1.451(10) . ?
N1 C5 1.339(9) . ?
N1 C1 1.350(11) . ?
N8 C19 1.326(9) . ?
N4 N3 1.366(9) . ?
N4 C8 1.346(9) . ?
N4 C7 1.451(11) . ?
N10 C22 1.335(10) . ?
N10 C26 1.351(10) . ?
N3 C6 1.296(9) . ?
N7 C21 1.319(9) . ?
N7 C19 1.377(8) . ?
N5 C9 1.332(10) . ?
N5 C13 1.354(11) . ?
C8 C9 1.488(10) . ?
C22 C21 1.476(10) . ?
C22 C23 1.370(11) . ?
C9 C10 1.381(11) . ?
C14 H14 0.9300 . ?
C14 C15 1.390(10) . ?
C18 C17 1.386(9) . ?
C18 C19 1.445(9) . ?
C5 C6 1.473(10) . ?
C5 C4 1.398(9) . ?
C12 H12 0.9300 . ?
C12 C11 1.378(13) . ?
C12 C13 1.374(12) . ?
C17 H17 0.9300 . ?
C17 C16 1.375(11) . ?
C10 H10 0.9300 . ?
C10 C11 1.376(11) . ?
C4 H4 0.9300 . ?
C4 C3 1.383(11) . ?
C16 H16 0.9300 . ?
C16 C15 1.388(12) . ?
C26 H26 0.9300 . ?
C26 C25 1.372(13) . ?
C1 H1 0.9300 . ?
C1 C2 1.386(11) . ?
C15 H15 0.9300 . ?
C23 H23 0.9300 . ?
C23 C24 1.388(12) . ?
C11 H11 0.9300 . ?
C3 H3 0.9300 . ?
C3 C2 1.390(13) . ?
C2 H2 0.9300 . ?
C25 H25 0.9300 . ?
C25 C24 1.358(14) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C13 H13 0.9300 . ?
C24 H24 0.9300 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?

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
Cl1 Co1 Cl2 99.96(9) . . ?
N6 Co1 Cl1 90.93(17) . . ?
N6 Co1 Cl2 94.32(18) . . ?
N6 Co1 N2 97.2(2) . . ?
N6 Co1 N7 76.7(2) . . ?
N2 Co1 Cl1 168.86(17) . . ?
N2 Co1 Cl2 87.02(17) . . ?
N2 Co1 N7 89.3(2) . . ?
N1 Co1 Cl1 94.85(18) . . ?
N1 Co1 Cl2 89.11(18) . . ?
N1 Co1 N6 172.7(2) . . ?
N1 Co1 N2 76.5(2) . . ?
N1 Co1 N7 99.3(2) . . ?
N7 Co1 Cl1 85.19(17) . . ?
N7 Co1 Cl2 169.80(17) . . ?
C14 N6 Co1 125.8(5) . . ?
C14 N6 C18 118.1(6) . . ?
C18 N6 Co1 116.1(5) . . ?
C8 N2 Co1 142.0(5) . . ?
C8 N2 C6 102.8(6) . . ?
C6 N2 Co1 110.9(4) . . ?
N8 N9 C21 110.4(6) . . ?
N8 N9 C20 119.3(6) . . ?
C21 N9 C20 130.3(7) . . ?
C5 N1 Co1 116.5(5) . . ?
C5 N1 C1 118.6(6) . . ?
C1 N1 Co1 124.8(5) . . ?
C19 N8 N9 102.9(5) . . ?
N3 N4 C7 120.5(6) . . ?
C8 N4 N3 109.3(6) . . ?
C8 N4 C7 129.9(7) . . ?
C22 N10 C26 116.6(7) . . ?
C6 N3 N4 102.7(6) . . ?
C21 N7 Co1 141.8(5) . . ?
C21 N7 C19 103.9(6) . . ?
C19 N7 Co1 108.0(4) . . ?
C9 N5 C13 116.6(7) . . ?
N2 C8 N4 109.9(6) . . ?
N2 C8 C9 125.9(6) . . ?
N4 C8 C9 124.3(6) . . ?
N10 C22 C21 117.4(7) . . ?
N10 C22 C23 123.8(7) . . ?
C23 C22 C21 118.9(7) . . ?
N5 C9 C8 116.1(7) . . ?
N5 C9 C10 124.4(7) . . ?
C10 C9 C8 119.5(7) . . ?
N6 C14 H14 118.6 . . ?
N6 C14 C15 122.8(7) . . ?
C15 C14 H14 118.6 . . ?
N9 C21 C22 124.7(7) . . ?
N7 C21 N9 109.2(6) . . ?
N7 C21 C22 126.1(6) . . ?
N6 C18 C17 122.5(6) . . ?
N6 C18 C19 114.4(6) . . ?
C17 C18 C19 123.1(6) . . ?
N1 C5 C6 114.8(5) . . ?
N1 C5 C4 122.7(7) . . ?
C4 C5 C6 122.5(6) . . ?
C11 C12 H12 120.3 . . ?
C13 C12 H12 120.3 . . ?
C13 C12 C11 119.4(8) . . ?
C18 C17 H17 120.6 . . ?
C16 C17 C18 118.8(7) . . ?
C16 C17 H17 120.6 . . ?
N8 C19 N7 113.6(6) . . ?
N8 C19 C18 125.4(6) . . ?
N7 C19 C18 121.0(6) . . ?
N2 C6 C5 119.0(6) . . ?
N3 C6 N2 115.4(6) . . ?
N3 C6 C5 125.6(6) . . ?
C9 C10 H10 121.0 . . ?
C11 C10 C9 118.0(8) . . ?
C11 C10 H10 121.0 . . ?
C5 C4 H4 120.6 . . ?
C3 C4 C5 118.7(7) . . ?
C3 C4 H4 120.6 . . ?
C17 C16 H16 120.4 . . ?
C17 C16 C15 119.2(6) . . ?
C15 C16 H16 120.4 . . ?
N10 C26 H26 118.5 . . ?
N10 C26 C25 123.0(8) . . ?
C25 C26 H26 118.5 . . ?
N1 C1 H1 119.2 . . ?
N1 C1 C2 121.6(8) . . ?
C2 C1 H1 119.2 . . ?
C14 C15 H15 120.7 . . ?
C16 C15 C14 118.6(7) . . ?
C16 C15 H15 120.7 . . ?
C22 C23 H23 120.9 . . ?
C22 C23 C24 118.3(8) . . ?
C24 C23 H23 120.9 . . ?
C12 C11 H11 120.5 . . ?
C10 C11 C12 119.0(8) . . ?
C10 C11 H11 120.5 . . ?
C4 C3 H3 120.8 . . ?
C4 C3 C2 118.4(7) . . ?
C2 C3 H3 120.8 . . ?
C1 C2 C3 119.9(8) . . ?
C1 C2 H2 120.0 . . ?
C3 C2 H2 120.0 . . ?
C26 C25 H25 120.4 . . ?
C24 C25 C26 119.3(8) . . ?
C24 C25 H25 120.4 . . ?
N4 C7 H7A 109.5 . . ?
N4 C7 H7B 109.5 . . ?
N4 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N5 C13 C12 122.6(8) . . ?
N5 C13 H13 118.7 . . ?
C12 C13 H13 118.7 . . ?
C23 C24 H24 120.5 . . ?
C25 C24 C23 119.0(8) . . ?
C25 C24 H24 120.5 . . ?
N9 C20 H20A 109.5 . . ?
N9 C20 H20B 109.5 . . ?
N9 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?

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 N6 C14 C15 176.6(7) . . . . ?
Co1 N6 C18 C17 -176.8(5) . . . . ?
Co1 N6 C18 C19 2.6(7) . . . . ?
Co1 N2 C8 N4 -152.3(6) . . . . ?
Co1 N2 C8 C9 27.1(11) . . . . ?
Co1 N2 C6 N3 162.1(5) . . . . ?
Co1 N2 C6 C5 -16.1(8) . . . . ?
Co1 N1 C5 C6 4.4(8) . . . . ?
Co1 N1 C5 C4 -176.3(5) . . . . ?
Co1 N1 C1 C2 175.0(7) . . . . ?
Co1 N7 C21 N9 -146.1(6) . . . . ?
Co1 N7 C21 C22 35.1(11) . . . . ?
Co1 N7 C19 N8 159.9(5) . . . . ?
Co1 N7 C19 C18 -21.7(8) . . . . ?
N6 C14 C15 C16 0.9(13) . . . . ?
N6 C18 C17 C16 -0.8(11) . . . . ?
N6 C18 C19 N8 -167.8(7) . . . . ?
N6 C18 C19 N7 14.0(9) . . . . ?
N2 C8 C9 N5 -132.4(7) . . . . ?
N2 C8 C9 C10 47.6(10) . . . . ?
N9 N8 C19 N7 -1.7(8) . . . . ?
N9 N8 C19 C18 179.9(6) . . . . ?
N1 C5 C6 N2 8.5(9) . . . . ?
N1 C5 C6 N3 -169.6(7) . . . . ?
N1 C5 C4 C3 1.5(11) . . . . ?
N1 C1 C2 C3 0.4(14) . . . . ?
N8 N9 C21 N7 -0.9(8) . . . . ?
N8 N9 C21 C22 178.0(6) . . . . ?
N4 N3 C6 N2 0.1(8) . . . . ?
N4 N3 C6 C5 178.2(7) . . . . ?
N4 C8 C9 N5 46.8(10) . . . . ?
N4 C8 C9 C10 -133.1(8) . . . . ?
N10 C22 C21 N9 36.6(11) . . . . ?
N10 C22 C21 N7 -144.7(8) . . . . ?
N10 C22 C23 C24 2.9(13) . . . . ?
N10 C26 C25 C24 -1.5(16) . . . . ?
N3 N4 C8 N2 -0.1(8) . . . . ?
N3 N4 C8 C9 -179.5(6) . . . . ?
N5 C9 C10 C11 2.2(12) . . . . ?
C8 N2 C6 N3 -0.2(8) . . . . ?
C8 N2 C6 C5 -178.4(6) . . . . ?
C8 N4 N3 C6 0.0(8) . . . . ?
C8 C9 C10 C11 -177.8(7) . . . . ?
C22 N10 C26 C25 1.0(14) . . . . ?
C22 C23 C24 C25 -3.2(14) . . . . ?
C9 N5 C13 C12 -1.3(12) . . . . ?
C9 C10 C11 C12 -1.7(13) . . . . ?
C14 N6 C18 C17 1.5(10) . . . . ?
C14 N6 C18 C19 -179.1(6) . . . . ?
C21 N9 N8 C19 1.6(8) . . . . ?
C21 N7 C19 N8 1.2(8) . . . . ?
C21 N7 C19 C18 179.7(6) . . . . ?
C21 C22 C23 C24 -177.4(7) . . . . ?
C18 N6 C14 C15 -1.5(12) . . . . ?
C18 C17 C16 C15 0.1(12) . . . . ?
C5 N1 C1 C2 -0.3(12) . . . . ?
C5 C4 C3 C2 -1.3(12) . . . . ?
C17 C18 C19 N8 11.7(11) . . . . ?
C17 C18 C19 N7 -166.6(7) . . . . ?
C17 C16 C15 C14 -0.2(13) . . . . ?
C19 N7 C21 N9 -0.2(8) . . . . ?
C19 N7 C21 C22 -179.0(7) . . . . ?
C19 C18 C17 C16 179.8(7) . . . . ?
C6 N2 C8 N4 0.2(8) . . . . ?
C6 N2 C8 C9 179.5(7) . . . . ?
C6 C5 C4 C3 -179.4(7) . . . . ?
C4 C5 C6 N2 -170.8(7) . . . . ?
C4 C5 C6 N3 11.2(11) . . . . ?
C4 C3 C2 C1 0.4(13) . . . . ?
C26 N10 C22 C21 178.5(7) . . . . ?
C26 N10 C22 C23 -1.7(13) . . . . ?
C26 C25 C24 C23 2.6(15) . . . . ?
C1 N1 C5 C6 -179.9(7) . . . . ?
C1 N1 C5 C4 -0.7(11) . . . . ?
C23 C22 C21 N9 -143.2(8) . . . . ?
C23 C22 C21 N7 35.5(11) . . . . ?
C11 C12 C13 N5 1.7(13) . . . . ?
C7 N4 N3 C6 174.7(8) . . . . ?
C7 N4 C8 N2 -174.2(8) . . . . ?
C7 N4 C8 C9 6.4(13) . . . . ?
C13 N5 C9 C8 179.3(7) . . . . ?
C13 N5 C9 C10 -0.7(12) . . . . ?
C13 C12 C11 C10 -0.2(13) . . . . ?
C20 N9 N8 C19 178.9(7) . . . . ?
C20 N9 C21 N7 -177.8(8) . . . . ?
C20 N9 C21 C22 1.1(13) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.72472
2 0.27528

# start Validation Reply Form
_vrf_PLAT971_exp_8906            
;
PROBLEM: Check Calcd Resid. Dens. 1.42A From Co1 2.62 eA-3
RESPONSE: The observed positive residual electron density is close to the
Co-metal with high X-ray scattering form factor. The observed electron density
does not appear to be due to unaccounted atom type.
;
