# Electronic Supplementary Material (ESI) for CrystEngComm.
# 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_p
_database_code_depnum_ccdc_archive 'CCDC 1895156'
loop_
_audit_author_name
_audit_author_address
'Feng-Lei Yang'
;Jiangsu Normal University
China
;
_audit_update_record             
;
2019-02-01 deposited with the CCDC.	2021-01-06 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C18 H16 Cl2 Co2 N6 O'
_chemical_formula_weight         521.13

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

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

_cell_length_a                   9.0784(3)
_cell_length_b                   13.8770(4)
_cell_length_c                   16.6645(4)
_cell_angle_alpha                90
_cell_angle_beta                 105.8070(10)
_cell_angle_gamma                90
_cell_volume                     2020.02(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9821
_cell_measurement_theta_min      2.94
_cell_measurement_theta_max      32.72

_exptl_crystal_description       block
_exptl_crystal_colour            blue
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.714
_exptl_crystal_F_000             1048
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    1.929
_shelx_estimated_absorpt_T_min   0.699
_shelx_estimated_absorpt_T_max   0.861
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6989
_exptl_absorpt_correction_T_max  0.8015
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            50964
_diffrn_reflns_av_unetI/netI     0.0372
_diffrn_reflns_av_R_equivalents  0.0703
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.540
_diffrn_reflns_theta_max         33.029
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             7562
_reflns_number_gt                5654
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0500P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7562
_refine_ls_number_parameters     264
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0493
_refine_ls_R_factor_gt           0.0328
_refine_ls_wR_factor_ref         0.0927
_refine_ls_wR_factor_gt          0.0878
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_restrained_S_all      1.048
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.63854(2) 0.50224(2) 0.45916(2) 0.02618(6) Uani 1 1 d . . . . .
Co2 Co 0.99064(2) 0.63362(2) 0.59335(2) 0.02922(6) Uani 1 1 d . . . . .
Cl1 Cl 0.92527(5) 0.72073(4) 0.69221(3) 0.05679(14) Uani 1 1 d . . . . .
Cl2 Cl 1.24760(4) 0.63636(3) 0.61728(3) 0.03779(10) Uani 1 1 d . . . . .
O1 O 0.49059(10) 0.40380(7) 0.48241(6) 0.0266(2) Uani 1 1 d . . . . .
N1 N 0.51056(15) 0.53948(10) 0.33491(8) 0.0319(3) Uani 1 1 d . . . . .
N2 N 0.76111(14) 0.61543(9) 0.43302(8) 0.0284(2) Uani 1 1 d . . . . .
N3 N 0.87702(14) 0.67119(9) 0.47915(8) 0.0304(3) Uani 1 1 d . . . . .
N4 N 0.78968(13) 0.45432(9) 0.56980(7) 0.0273(2) Uani 1 1 d . . . . .
N5 N 0.91778(15) 0.50179(9) 0.61816(8) 0.0298(3) Uani 1 1 d . . . . .
N6 N 0.89464(15) 0.36696(9) 0.67802(8) 0.0335(3) Uani 1 1 d . . . . .
H6A H 0.911857 0.320208 0.713228 0.040 Uiso 1 1 calc R U . . .
C1 C 0.3930(2) 0.49118(13) 0.28552(11) 0.0417(4) Uani 1 1 d . . . . .
H1A H 0.358532 0.435509 0.305712 0.050 Uiso 1 1 calc R U . . .
C2 C 0.3206(2) 0.52154(16) 0.20503(12) 0.0547(5) Uani 1 1 d . . . . .
H2A H 0.239475 0.486491 0.171724 0.066 Uiso 1 1 calc R U . . .
C3 C 0.3705(3) 0.60377(18) 0.17541(13) 0.0621(6) Uani 1 1 d . . . . .
H3A H 0.322167 0.625812 0.122026 0.075 Uiso 1 1 calc R U . . .
C4 C 0.4923(3) 0.65349(15) 0.22495(11) 0.0506(5) Uani 1 1 d . . . . .
H4A H 0.527643 0.709334 0.205552 0.061 Uiso 1 1 calc R U . . .
C5 C 0.56221(19) 0.61890(12) 0.30498(10) 0.0341(3) Uani 1 1 d . . . . .
C6 C 0.69446(18) 0.66393(12) 0.36211(9) 0.0327(3) Uani 1 1 d . . . . .
C7 C 0.7694(2) 0.75125(13) 0.36210(11) 0.0417(4) Uani 1 1 d . . . . .
H7A H 0.748057 0.797978 0.320527 0.050 Uiso 1 1 calc R U . . .
C8 C 0.8815(2) 0.75397(12) 0.43641(11) 0.0388(4) Uani 1 1 d . . . . .
C9 C 0.9922(3) 0.83233(16) 0.47398(16) 0.0624(6) Uani 1 1 d . . . . .
H9A H 1.089005 0.804373 0.502604 0.094 Uiso 1 1 calc R U . . .
H9B H 0.953163 0.868604 0.512755 0.094 Uiso 1 1 calc R U . . .
H9C H 1.005506 0.874270 0.430663 0.094 Uiso 1 1 calc R U . . .
C10 C 0.52972(16) 0.31562(10) 0.51272(9) 0.0265(3) Uani 1 1 d . . . . .
C11 C 0.43229(17) 0.23739(11) 0.48219(11) 0.0346(3) Uani 1 1 d . . . . .
H11A H 0.345855 0.246883 0.437752 0.042 Uiso 1 1 calc R U . . .
C12 C 0.4622(2) 0.14740(12) 0.51661(13) 0.0458(4) Uani 1 1 d . . . . .
H12A H 0.395925 0.096891 0.494960 0.055 Uiso 1 1 calc R U . . .
C13 C 0.5889(2) 0.13035(13) 0.58287(15) 0.0523(5) Uani 1 1 d . . . . .
H13A H 0.605899 0.069627 0.607253 0.063 Uiso 1 1 calc R U . . .
C14 C 0.6900(2) 0.20495(12) 0.61240(12) 0.0442(4) Uani 1 1 d . . . . .
H14A H 0.776441 0.193849 0.656485 0.053 Uiso 1 1 calc R U . . .
C15 C 0.66430(17) 0.29678(11) 0.57696(9) 0.0300(3) Uani 1 1 d . . . . .
C16 C 0.77820(17) 0.37202(10) 0.60691(9) 0.0284(3) Uani 1 1 d . . . . .
C17 C 0.97849(17) 0.44810(12) 0.68370(9) 0.0321(3) Uani 1 1 d . . . . .
C18 C 1.1124(2) 0.47294(15) 0.75428(11) 0.0458(4) Uani 1 1 d . . . . .
H18A H 1.179414 0.515103 0.734996 0.069 Uiso 1 1 calc R U . . .
H18B H 1.166543 0.415143 0.776391 0.069 Uiso 1 1 calc R U . . .
H18C H 1.078058 0.504634 0.797098 0.069 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 2.0259(10) . ?
Co1 N2 2.0393(12) . ?
Co1 N4 2.0847(12) . ?
Co1 N1 2.1432(13) . ?
Co1 O1 2.1551(10) 3_666 ?
Co1 Cl2 2.6661(4) 3_766 ?
Co2 N3 1.9719(13) . ?
Co2 N5 2.0259(12) . ?
Co2 Cl1 2.2495(5) . ?
Co2 Cl2 2.2573(4) . ?
O1 C10 1.3345(17) . ?
N1 C1 1.337(2) . ?
N1 C5 1.346(2) . ?
N2 C6 1.3513(19) . ?
N2 N3 1.3625(18) . ?
N3 C8 1.358(2) . ?
N4 C16 1.3163(18) . ?
N4 N5 1.3876(17) . ?
N5 C17 1.3130(19) . ?
N6 C17 1.348(2) . ?
N6 C16 1.3580(19) . ?
N6 H6A 0.8600 . ?
C1 C2 1.389(3) . ?
C1 H1A 0.9300 . ?
C2 C3 1.368(3) . ?
C2 H2A 0.9300 . ?
C3 C4 1.372(3) . ?
C3 H3A 0.9300 . ?
C4 C5 1.397(2) . ?
C4 H4A 0.9300 . ?
C5 C6 1.455(2) . ?
C6 C7 1.390(2) . ?
C7 C8 1.373(3) . ?
C7 H7A 0.9300 . ?
C8 C9 1.497(3) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 C11 1.405(2) . ?
C10 C15 1.412(2) . ?
C11 C12 1.370(2) . ?
C11 H11A 0.9300 . ?
C12 C13 1.381(3) . ?
C12 H12A 0.9300 . ?
C13 C14 1.382(3) . ?
C13 H13A 0.9300 . ?
C14 C15 1.397(2) . ?
C14 H14A 0.9300 . ?
C15 C16 1.459(2) . ?
C17 C18 1.484(2) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 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
O1 Co1 N2 171.49(4) . . ?
O1 Co1 N4 85.79(4) . . ?
N2 Co1 N4 99.71(5) . . ?
O1 Co1 N1 97.71(5) . . ?
N2 Co1 N1 77.98(5) . . ?
N4 Co1 N1 169.84(5) . . ?
O1 Co1 O1 81.43(4) . 3_666 ?
N2 Co1 O1 91.50(4) . 3_666 ?
N4 Co1 O1 95.82(4) . 3_666 ?
N1 Co1 O1 94.14(4) . 3_666 ?
O1 Co1 Cl2 88.19(3) . 3_766 ?
N2 Co1 Cl2 98.54(4) . 3_766 ?
N4 Co1 Cl2 86.85(4) . 3_766 ?
N1 Co1 Cl2 83.75(4) . 3_766 ?
O1 Co1 Cl2 169.05(3) 3_666 3_766 ?
N3 Co2 N5 108.77(5) . . ?
N3 Co2 Cl1 113.07(4) . . ?
N5 Co2 Cl1 99.78(4) . . ?
N3 Co2 Cl2 114.19(4) . . ?
N5 Co2 Cl2 110.99(4) . . ?
Cl1 Co2 Cl2 109.126(18) . . ?
Co2 Cl2 Co1 114.831(17) . 3_766 ?
C10 O1 Co1 124.66(8) . . ?
C10 O1 Co1 120.35(8) . 3_666 ?
Co1 O1 Co1 98.57(4) . 3_666 ?
C1 N1 C5 118.88(14) . . ?
C1 N1 Co1 127.27(12) . . ?
C5 N1 Co1 113.80(10) . . ?
C6 N2 N3 107.67(12) . . ?
C6 N2 Co1 115.47(10) . . ?
N3 N2 Co1 134.38(10) . . ?
C8 N3 N2 108.27(13) . . ?
C8 N3 Co2 130.33(11) . . ?
N2 N3 Co2 120.99(10) . . ?
C16 N4 N5 107.46(12) . . ?
C16 N4 Co1 125.11(10) . . ?
N5 N4 Co1 127.43(9) . . ?
C17 N5 N4 108.01(12) . . ?
C17 N5 Co2 126.57(11) . . ?
N4 N5 Co2 125.36(10) . . ?
C17 N6 C16 107.97(12) . . ?
C17 N6 H6A 126.0 . . ?
C16 N6 H6A 126.0 . . ?
N1 C1 C2 122.04(18) . . ?
N1 C1 H1A 119.0 . . ?
C2 C1 H1A 119.0 . . ?
C3 C2 C1 119.06(19) . . ?
C3 C2 H2A 120.5 . . ?
C1 C2 H2A 120.5 . . ?
C4 C3 C2 119.59(18) . . ?
C4 C3 H3A 120.2 . . ?
C2 C3 H3A 120.2 . . ?
C3 C4 C5 118.95(18) . . ?
C3 C4 H4A 120.5 . . ?
C5 C4 H4A 120.5 . . ?
N1 C5 C4 121.44(16) . . ?
N1 C5 C6 114.72(13) . . ?
C4 C5 C6 123.84(16) . . ?
N2 C6 C7 109.38(15) . . ?
N2 C6 C5 116.84(14) . . ?
C7 C6 C5 133.74(15) . . ?
C8 C7 C6 105.47(15) . . ?
C8 C7 H7A 127.3 . . ?
C6 C7 H7A 127.3 . . ?
N3 C8 C7 109.20(15) . . ?
N3 C8 C9 120.52(17) . . ?
C7 C8 C9 130.21(17) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
O1 C10 C11 119.67(13) . . ?
O1 C10 C15 122.87(13) . . ?
C11 C10 C15 117.43(14) . . ?
C12 C11 C10 121.28(16) . . ?
C12 C11 H11A 119.4 . . ?
C10 C11 H11A 119.4 . . ?
C11 C12 C13 121.18(16) . . ?
C11 C12 H12A 119.4 . . ?
C13 C12 H12A 119.4 . . ?
C14 C13 C12 118.97(17) . . ?
C14 C13 H13A 120.5 . . ?
C12 C13 H13A 120.5 . . ?
C13 C14 C15 120.94(17) . . ?
C13 C14 H14A 119.5 . . ?
C15 C14 H14A 119.5 . . ?
C14 C15 C10 119.98(14) . . ?
C14 C15 C16 119.14(14) . . ?
C10 C15 C16 120.87(13) . . ?
N4 C16 N6 108.21(12) . . ?
N4 C16 C15 126.85(14) . . ?
N6 C16 C15 124.91(13) . . ?
N5 C17 N6 108.33(13) . . ?
N5 C17 C18 126.53(15) . . ?
N6 C17 C18 125.10(14) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 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
C6 N2 N3 C8 -0.06(16) . . . . ?
Co1 N2 N3 C8 -160.65(11) . . . . ?
C6 N2 N3 Co2 173.36(10) . . . . ?
Co1 N2 N3 Co2 12.77(18) . . . . ?
C16 N4 N5 C17 -1.15(16) . . . . ?
Co1 N4 N5 C17 178.21(10) . . . . ?
C16 N4 N5 Co2 -178.65(10) . . . . ?
Co1 N4 N5 Co2 0.70(17) . . . . ?
C5 N1 C1 C2 -1.4(3) . . . . ?
Co1 N1 C1 C2 -178.65(14) . . . . ?
N1 C1 C2 C3 -0.4(3) . . . . ?
C1 C2 C3 C4 1.2(3) . . . . ?
C2 C3 C4 C5 -0.3(3) . . . . ?
C1 N1 C5 C4 2.3(2) . . . . ?
Co1 N1 C5 C4 179.98(14) . . . . ?
C1 N1 C5 C6 -177.47(15) . . . . ?
Co1 N1 C5 C6 0.18(17) . . . . ?
C3 C4 C5 N1 -1.5(3) . . . . ?
C3 C4 C5 C6 178.24(19) . . . . ?
N3 N2 C6 C7 0.74(17) . . . . ?
Co1 N2 C6 C7 165.49(11) . . . . ?
N3 N2 C6 C5 -177.27(13) . . . . ?
Co1 N2 C6 C5 -12.52(18) . . . . ?
N1 C5 C6 N2 8.0(2) . . . . ?
C4 C5 C6 N2 -171.80(16) . . . . ?
N1 C5 C6 C7 -169.42(17) . . . . ?
C4 C5 C6 C7 10.8(3) . . . . ?
N2 C6 C7 C8 -1.11(19) . . . . ?
C5 C6 C7 C8 176.43(18) . . . . ?
N2 N3 C8 C7 -0.65(18) . . . . ?
Co2 N3 C8 C7 -173.25(12) . . . . ?
N2 N3 C8 C9 176.47(17) . . . . ?
Co2 N3 C8 C9 3.9(2) . . . . ?
C6 C7 C8 N3 1.07(19) . . . . ?
C6 C7 C8 C9 -175.7(2) . . . . ?
Co1 O1 C10 C11 -140.94(11) . . . . ?
Co1 O1 C10 C11 91.13(14) 3_666 . . . ?
Co1 O1 C10 C15 41.10(17) . . . . ?
Co1 O1 C10 C15 -86.84(14) 3_666 . . . ?
O1 C10 C11 C12 -174.44(15) . . . . ?
C15 C10 C11 C12 3.6(2) . . . . ?
C10 C11 C12 C13 0.3(3) . . . . ?
C11 C12 C13 C14 -2.6(3) . . . . ?
C12 C13 C14 C15 0.9(3) . . . . ?
C13 C14 C15 C10 3.1(3) . . . . ?
C13 C14 C15 C16 -176.61(18) . . . . ?
O1 C10 C15 C14 172.75(14) . . . . ?
C11 C10 C15 C14 -5.3(2) . . . . ?
O1 C10 C15 C16 -7.6(2) . . . . ?
C11 C10 C15 C16 174.43(14) . . . . ?
N5 N4 C16 N6 0.79(16) . . . . ?
Co1 N4 C16 N6 -178.58(10) . . . . ?
N5 N4 C16 C15 -177.45(14) . . . . ?
Co1 N4 C16 C15 3.2(2) . . . . ?
C17 N6 C16 N4 -0.17(17) . . . . ?
C17 N6 C16 C15 178.11(14) . . . . ?
C14 C15 C16 N4 164.15(16) . . . . ?
C10 C15 C16 N4 -15.5(2) . . . . ?
C14 C15 C16 N6 -13.8(2) . . . . ?
C10 C15 C16 N6 166.50(14) . . . . ?
N4 N5 C17 N6 1.03(17) . . . . ?
Co2 N5 C17 N6 178.50(10) . . . . ?
N4 N5 C17 C18 -176.65(16) . . . . ?
Co2 N5 C17 C18 0.8(2) . . . . ?
C16 N6 C17 N5 -0.55(18) . . . . ?
C16 N6 C17 C18 177.17(16) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C14 H14A N6 0.93 2.62 2.932(2) 100.5 .
C18 H18A Cl2 0.96 2.78 3.659(2) 152.7 .
C11 H11A Cl1 0.93 2.84 3.7659(17) 177.2 3_666
C18 H18B Cl1 0.96 2.91 3.651(2) 134.5 2_746
N6 H6A Cl1 0.86 2.30 3.0888(13) 151.9 2_746

_refine_diff_density_max         0.827
_refine_diff_density_min         -0.537
_refine_diff_density_rms         0.104

