#------------------------------------------------------------------------------
#$Date: 2022-01-28 10:02:25 +0200 (Fri, 28 Jan 2022) $
#$Revision: 272313 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/35/08/4350804.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4350804
loop_
_publ_author_name
'Zou, Xun-Zhong'
'Zhang, Jing-An'
'Zhang, Li-Jie'
'Liu, Ya-Jie'
'Li, Ning'
'Li, Yu'
'Wei, Shi-Chao'
'Pan, Mei'
_publ_section_title
;
 Crystal structures and biological activities of a symmetrical quinoline
 thioether ligand and its transition metal complexes
;
_journal_name_full               'Inorganic Chemistry Communications'
_journal_page_first              21
_journal_page_last               24
_journal_paper_doi               10.1016/j.inoche.2015.01.029
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety
; 
C25 H19 Cl4 Co2 N3 S2, C H3 OH 
;
_chemical_formula_sum            'C26 H23 Cl4 Co2 N3 O S2'
_chemical_formula_weight         717.25
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                106.0130(10)
_cell_angle_beta                 104.8960(10)
_cell_angle_gamma                111.6330(10)
_cell_formula_units_Z            1
_cell_length_a                   9.0268(6)
_cell_length_b                   9.2809(6)
_cell_length_c                   10.3543(6)
_cell_measurement_reflns_used    5367
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      26.356
_cell_measurement_theta_min      2.234
_cell_volume                     709.84(8)
_computing_cell_refinement       'SAINT+ NT V6.22 (Bruker, 2001)'
_computing_data_collection       'SMART NT V5.625 (Bruker, 1998)'
_computing_data_reduction        'SAINT+ NT V6.22'
_computing_molecular_graphics    'SHELXTL V6.1 (Sheldrick, 2000)'
_computing_publication_material  'SHELXTL V6.1'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker SMART APEX CCD diffractometer'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0200
_diffrn_reflns_av_sigmaI/netI    0.0614
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            6413
_diffrn_reflns_theta_full        26.36
_diffrn_reflns_theta_max         26.36
_diffrn_reflns_theta_min         2.23
_diffrn_standards_decay_%        none
_exptl_absorpt_coefficient_mu    1.719
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8333
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS, Bruker, 2001)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.678
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             362
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.493
_refine_diff_density_min         -0.389
_refine_diff_density_rms         0.071
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.125(14)
_refine_ls_extinction_coef       0.0066(18)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     340
_refine_ls_number_reflns         5421
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.0368
_refine_ls_R_factor_gt           0.0347
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0434P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0917
_refine_ls_wR_factor_ref         0.0931
_reflns_number_gt                5076
_reflns_number_total             5421
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            Inorg-Chem-Commun-2015-54-21.cif
_cod_data_source_block           c100814s
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8738 2021-04-28 16:35:53Z antanas 
;
_cod_database_code               4350804
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.48912(5) 0.62015(5) 0.69318(4) 0.02764(13) Uani 1 1 d . . .
Co2 Co 0.52087(6) 0.38753(6) 0.31563(5) 0.03612(15) Uani 1 1 d . . .
Cl1 Cl 0.67198(14) 0.55418(14) 0.57377(12) 0.0475(3) Uani 1 1 d . . .
Cl2 Cl 0.4775(2) 0.5606(2) 0.21611(18) 0.0712(4) Uani 1 1 d . . .
Cl3 Cl 0.70792(17) 0.29767(17) 0.26205(15) 0.0584(3) Uani 1 1 d . . .
Cl4 Cl 0.28071(16) 0.17183(15) 0.29163(14) 0.0557(3) Uani 1 1 d . . .
S1 S 0.75101(14) 0.82511(14) 0.92694(12) 0.0449(3) Uani 1 1 d . . .
S2 S 0.18643(14) 0.44632(13) 0.50519(11) 0.0412(2) Uani 1 1 d . . .
C1 C 0.4516(7) 0.8338(7) 0.5272(6) 0.0509(11) Uani 1 1 d . . .
H1 H 0.3595 0.7289 0.4579 0.061 Uiso 1 1 calc R . .
C2 C 0.4805(9) 0.9782(8) 0.4941(7) 0.0639(15) Uani 1 1 d . . .
H2 H 0.4069 0.9686 0.4071 0.077 Uiso 1 1 calc R . .
C3 C 0.6188(9) 1.1307(8) 0.5932(7) 0.0694(16) Uani 1 1 d . . .
H3 H 0.6399 1.2271 0.5744 0.083 Uiso 1 1 calc R . .
C4 C 0.7298(7) 1.1434(6) 0.7234(6) 0.0553(12) Uani 1 1 d . . .
C5 C 0.8785(9) 1.2980(7) 0.8266(8) 0.0761(18) Uani 1 1 d . . .
H5 H 0.9056 1.3957 0.8091 0.091 Uiso 1 1 calc R . .
C6 C 0.9819(9) 1.3038(7) 0.9516(9) 0.087(2) Uani 1 1 d . . .
H6 H 1.0814 1.4050 1.0179 0.104 Uiso 1 1 calc R . .
C7 C 0.9393(8) 1.1556(7) 0.9822(7) 0.0702(16) Uani 1 1 d . . .
H7 H 1.0106 1.1607 1.0679 0.084 Uiso 1 1 calc R . .
C8 C 0.7927(6) 1.0061(6) 0.8845(5) 0.0471(10) Uani 1 1 d . . .
C9 C 0.6854(6) 0.9929(6) 0.7503(5) 0.0455(10) Uani 1 1 d . . .
C10 C 0.6389(6) 0.8521(6) 1.0446(5) 0.0500(11) Uani 1 1 d . . .
H10A H 0.6462 0.7845 1.1003 0.060 Uiso 1 1 calc R . .
H10B H 0.7009 0.9704 1.1143 0.060 Uiso 1 1 calc R . .
C11 C 0.4479(6) 0.8051(5) 0.9716(5) 0.0433(10) Uani 1 1 d . . .
C12 C 0.3686(7) 0.8606(6) 1.0569(5) 0.0522(12) Uani 1 1 d . . .
H12 H 0.4312 0.9294 1.1567 0.063 Uiso 1 1 calc R . .
C13 C 0.1968(7) 0.8121(6) 0.9913(6) 0.0539(12) Uani 1 1 d . . .
H13 H 0.1405 0.8473 1.0469 0.065 Uiso 1 1 calc R . .
C14 C 0.1067(6) 0.7127(5) 0.8454(5) 0.0450(10) Uani 1 1 d . . .
H14 H -0.0113 0.6784 0.8010 0.054 Uiso 1 1 calc R . .
C15 C 0.1920(6) 0.6633(5) 0.7640(5) 0.0410(9) Uani 1 1 d . . .
C16 C 0.1001(6) 0.5693(6) 0.5998(5) 0.0493(11) Uani 1 1 d . . .
H16A H 0.0990 0.6517 0.5594 0.059 Uiso 1 1 calc R . .
H16B H -0.0199 0.4926 0.5764 0.059 Uiso 1 1 calc R . .
C17 C 0.5315(7) 0.3910(7) 0.8491(5) 0.0523(12) Uani 1 1 d . . .
H17 H 0.6440 0.4815 0.8989 0.063 Uiso 1 1 calc R . .
C18 C 0.4946(9) 0.2611(7) 0.8914(6) 0.0642(14) Uani 1 1 d . . .
H18 H 0.5799 0.2616 0.9648 0.077 Uiso 1 1 calc R . .
C19 C 0.3291(8) 0.1294(7) 0.8239(6) 0.0643(15) Uani 1 1 d . . .
H19 H 0.2987 0.0412 0.8543 0.077 Uiso 1 1 calc R . .
C20 C 0.2040(7) 0.1274(6) 0.7075(6) 0.0545(12) Uani 1 1 d . . .
C21 C 0.0340(9) -0.0053(7) 0.6304(8) 0.0705(16) Uani 1 1 d . . .
H21 H -0.0008 -0.0978 0.6551 0.085 Uiso 1 1 calc R . .
C22 C -0.0823(8) -0.0011(7) 0.5187(7) 0.0690(16) Uani 1 1 d . . .
H22 H -0.1938 -0.0929 0.4659 0.083 Uiso 1 1 calc R . .
C23 C -0.0357(6) 0.1393(6) 0.4831(6) 0.0543(12) Uani 1 1 d . . .
H23 H -0.1168 0.1423 0.4089 0.065 Uiso 1 1 calc R . .
C24 C 0.1307(6) 0.2731(5) 0.5583(5) 0.0433(10) Uani 1 1 d . . .
C25 C 0.2569(6) 0.2698(5) 0.6709(5) 0.0418(10) Uani 1 1 d . . .
N1 N 0.3630(5) 0.7084(4) 0.8275(4) 0.0409(8) Uani 1 1 d . . .
N2 N 0.5459(5) 0.8400(5) 0.6483(4) 0.0447(9) Uani 1 1 d . . .
N3 N 0.4216(5) 0.4014(5) 0.7425(4) 0.0420(8) Uani 1 1 d . . .
O1S O -0.0230(15) 0.7176(14) 0.2462(13) 0.116(2) Uiso 0.629(10) 1 d PD A 1
H1S H -0.1273 0.6735 0.1817 0.116(2) Uiso 0.629(10) 1 d PR A 1
C1S C 0.035(2) 0.628(2) 0.3064(19) 0.116(2) Uiso 0.629(10) 1 d PD A 1
H1S1 H 0.1472 0.7042 0.3857 0.174 Uiso 0.629(10) 1 calc PR A 1
H1S2 H 0.0447 0.5463 0.2337 0.174 Uiso 0.629(10) 1 calc PR A 1
H1S3 H -0.0450 0.5709 0.3433 0.174 Uiso 0.629(10) 1 calc PR A 1
O2S O -0.119(2) 0.615(2) 0.141(2) 0.116(2) Uiso 0.371(10) 1 d PD A 2
H2S H -0.1834 0.6435 0.1766 0.116(2) Uiso 0.371(10) 1 d PR A 2
C2S C 0.024(3) 0.633(4) 0.241(3) 0.116(2) Uiso 0.371(10) 1 d PD A 2
H2S1 H 0.1261 0.7027 0.2310 0.174 Uiso 0.371(10) 1 calc PR A 2
H2S2 H 0.0170 0.5226 0.2245 0.174 Uiso 0.371(10) 1 calc PR A 2
H2S3 H 0.0318 0.6849 0.3379 0.174 Uiso 0.371(10) 1 calc PR A 2
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
N2 Co1 N3 176.78(16) . .
N2 Co1 N1 88.20(14) . .
N3 Co1 N1 88.71(14) . .
N2 Co1 Cl1 89.75(11) . .
N3 Co1 Cl1 93.43(11) . .
N1 Co1 Cl1 171.34(10) . .
N2 Co1 S2 96.63(11) . .
N3 Co1 S2 82.07(11) . .
N1 Co1 S2 82.62(10) . .
Cl1 Co1 S2 105.99(4) . .
N2 Co1 S1 82.72(11) . .
N3 Co1 S1 97.66(11) . .
N1 Co1 S1 80.49(10) . .
Cl1 Co1 S1 90.91(4) . .
S2 Co1 S1 163.10(4) . .
Cl2 Co2 Cl4 115.84(6) . .
Cl2 Co2 Cl3 115.22(6) . .
Cl4 Co2 Cl3 111.27(5) . .
Cl2 Co2 Cl1 106.43(5) . .
Cl4 Co2 Cl1 104.26(5) . .
Cl3 Co2 Cl1 102.06(5) . .
Co2 Cl1 Co1 113.77(5) . .
C8 S1 C10 102.1(2) . .
C8 S1 Co1 95.59(15) . .
C10 S1 Co1 97.77(15) . .
C24 S2 C16 101.7(2) . .
C24 S2 Co1 96.45(15) . .
C16 S2 Co1 95.28(15) . .
N2 C1 C2 123.8(5) . .
N2 C1 H1 118.1 . .
C2 C1 H1 118.1 . .
C3 C2 C1 118.2(6) . .
C3 C2 H2 120.9 . .
C1 C2 H2 120.9 . .
C2 C3 C4 120.5(5) . .
C2 C3 H3 119.8 . .
C4 C3 H3 119.8 . .
C3 C4 C5 122.3(5) . .
C3 C4 C9 117.3(5) . .
C5 C4 C9 120.4(5) . .
C6 C5 C4 120.0(5) . .
C6 C5 H5 120.0 . .
C4 C5 H5 120.0 . .
C5 C6 C7 120.7(6) . .
C5 C6 H6 119.6 . .
C7 C6 H6 119.6 . .
C8 C7 C6 119.7(6) . .
C8 C7 H7 120.1 . .
C6 C7 H7 120.1 . .
C7 C8 C9 121.3(5) . .
C7 C8 S1 117.3(4) . .
C9 C8 S1 121.2(3) . .
N2 C9 C8 121.1(4) . .
N2 C9 C4 121.1(4) . .
C8 C9 C4 117.8(4) . .
C11 C10 S1 117.2(3) . .
C11 C10 H10A 108.0 . .
S1 C10 H10A 108.0 . .
C11 C10 H10B 108.0 . .
S1 C10 H10B 108.0 . .
H10A C10 H10B 107.2 . .
N1 C11 C12 122.6(4) . .
N1 C11 C10 118.4(4) . .
C12 C11 C10 119.0(4) . .
C13 C12 C11 118.3(4) . .
C13 C12 H12 120.9 . .
C11 C12 H12 120.9 . .
C14 C13 C12 120.5(4) . .
C14 C13 H13 119.7 . .
C12 C13 H13 119.7 . .
C13 C14 C15 119.2(4) . .
C13 C14 H14 120.4 . .
C15 C14 H14 120.4 . .
N1 C15 C14 121.3(4) . .
N1 C15 C16 118.3(4) . .
C14 C15 C16 120.2(4) . .
C15 C16 S2 117.9(3) . .
C15 C16 H16A 107.8 . .
S2 C16 H16A 107.8 . .
C15 C16 H16B 107.8 . .
S2 C16 H16B 107.8 . .
H16A C16 H16B 107.2 . .
N3 C17 C18 126.0(5) . .
N3 C17 H17 117.0 . .
C18 C17 H17 117.0 . .
C17 C18 C19 118.3(5) . .
C17 C18 H18 120.8 . .
C19 C18 H18 120.8 . .
C18 C19 C20 119.8(5) . .
C18 C19 H19 120.1 . .
C20 C19 H19 120.1 . .
C21 C20 C19 123.1(5) . .
C21 C20 C25 119.7(5) . .
C19 C20 C25 117.2(5) . .
C22 C21 C20 120.8(5) . .
C22 C21 H21 119.6 . .
C20 C21 H21 119.6 . .
C21 C22 C23 120.8(5) . .
C21 C22 H22 119.6 . .
C23 C22 H22 119.6 . .
C24 C23 C22 119.7(5) . .
C24 C23 H23 120.1 . .
C22 C23 H23 120.1 . .
C23 C24 C25 120.9(4) . .
C23 C24 S2 118.2(4) . .
C25 C24 S2 120.8(3) . .
N3 C25 C24 120.3(4) . .
N3 C25 C20 121.7(4) . .
C24 C25 C20 118.0(4) . .
C11 N1 C15 118.1(4) . .
C11 N1 Co1 122.4(3) . .
C15 N1 Co1 119.5(3) . .
C1 N2 C9 119.0(4) . .
C1 N2 Co1 121.6(3) . .
C9 N2 Co1 119.4(3) . .
C17 N3 C25 116.8(4) . .
C17 N3 Co1 122.9(3) . .
C25 N3 Co1 120.1(3) . .
C1S O1S H1S 122.6 . .
C1S O1S H2S 113.6 . .
H1S O1S H2S 14.2 . .
O1S C1S H1S1 109.5 . .
O1S C1S H1S2 109.5 . .
H1S1 C1S H1S2 109.5 . .
O1S C1S H1S3 109.5 . .
H1S1 C1S H1S3 109.5 . .
H1S2 C1S H1S3 109.5 . .
C2S O2S H1S 98.3 . .
C2S O2S H2S 114.9 . .
H1S O2S H2S 32.3 . .
O2S C2S H1S 23.4 . .
O2S C2S H2S1 109.5 . .
H1S C2S H2S1 110.0 . .
O2S C2S H2S2 109.5 . .
H1S C2S H2S2 127.6 . .
H2S1 C2S H2S2 109.5 . .
O2S C2S H2S3 109.5 . .
H1S C2S H2S3 87.9 . .
H2S1 C2S H2S3 109.5 . .
H2S2 C2S H2S3 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 N2 2.126(4) .
Co1 N3 2.138(4) .
Co1 N1 2.185(4) .
Co1 Cl1 2.4505(12) .
Co1 S2 2.4779(11) .
Co1 S1 2.5036(11) .
Co2 Cl2 2.2283(14) .
Co2 Cl4 2.2400(13) .
Co2 Cl3 2.2625(13) .
Co2 Cl1 2.3846(12) .
S1 C8 1.784(5) .
S1 C10 1.796(5) .
S2 C24 1.781(4) .
S2 C16 1.817(5) .
C1 N2 1.294(6) .
C1 C2 1.422(8) .
C1 H1 0.9300 .
C2 C3 1.361(10) .
C2 H2 0.9300 .
C3 C4 1.402(9) .
C3 H3 0.9300 .
C4 C5 1.414(8) .
C4 C9 1.432(6) .
C5 C6 1.362(10) .
C5 H5 0.9300 .
C6 C7 1.433(9) .
C6 H6 0.9300 .
C7 C8 1.372(7) .
C7 H7 0.9300 .
C8 C9 1.418(7) .
C9 N2 1.374(6) .
C10 C11 1.526(6) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 N1 1.336(6) .
C11 C12 1.380(6) .
C12 C13 1.358(7) .
C12 H12 0.9300 .
C13 C14 1.357(7) .
C13 H13 0.9300 .
C14 C15 1.376(6) .
C14 H14 0.9300 .
C15 N1 1.357(6) .
C15 C16 1.505(6) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 N3 1.334(6) .
C17 C18 1.351(8) .
C17 H17 0.9300 .
C18 C19 1.364(9) .
C18 H18 0.9300 .
C19 C20 1.414(8) .
C19 H19 0.9300 .
C20 C21 1.394(8) .
C20 C25 1.423(6) .
C21 C22 1.368(9) .
C21 H21 0.9300 .
C22 C23 1.397(8) .
C22 H22 0.9300 .
C23 C24 1.376(7) .
C23 H23 0.9300 .
C24 C25 1.422(7) .
C25 N3 1.359(6) .
O1S C1S 1.336(15) .
O1S H1S 0.8607 .
O1S H2S 1.2424 .
C1S H1S1 0.9600 .
C1S H1S2 0.9600 .
C1S H1S3 0.9600 .
O2S C2S 1.352(19) .
O2S H1S 0.6324 .
O2S H2S 0.8451 .
C2S H1S 1.5730 .
C2S H2S1 0.9600 .
C2S H2S2 0.9600 .
C2S H2S3 0.9600 .
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
Cl2 Co2 Cl1 Co1 73.56(7) . . . .
Cl4 Co2 Cl1 Co1 -49.38(6) . . . .
Cl3 Co2 Cl1 Co1 -165.29(5) . . . .
N2 Co1 Cl1 Co2 -87.62(12) . . . .
N3 Co1 Cl1 Co2 91.94(11) . . . .
N1 Co1 Cl1 Co2 -163.9(7) . . . .
S2 Co1 Cl1 Co2 9.21(6) . . . .
S1 Co1 Cl1 Co2 -170.33(5) . . . .
N2 Co1 S1 C8 0.23(19) . . . .
N3 Co1 S1 C8 -176.5(2) . . . .
N1 Co1 S1 C8 -89.16(19) . . . .
Cl1 Co1 S1 C8 89.87(16) . . . .
S2 Co1 S1 C8 -88.6(2) . . . .
N2 Co1 S1 C10 103.3(2) . . . .
N3 Co1 S1 C10 -73.5(2) . . . .
N1 Co1 S1 C10 13.9(2) . . . .
Cl1 Co1 S1 C10 -167.11(18) . . . .
S2 Co1 S1 C10 14.4(2) . . . .
N2 Co1 S2 C24 -173.18(18) . . . .
N3 Co1 S2 C24 3.85(17) . . . .
N1 Co1 S2 C24 -85.87(17) . . . .
Cl1 Co1 S2 C24 95.17(14) . . . .
S1 Co1 S2 C24 -86.4(2) . . . .
N2 Co1 S2 C16 -70.8(2) . . . .
N3 Co1 S2 C16 106.28(19) . . . .
N1 Co1 S2 C16 16.55(19) . . . .
Cl1 Co1 S2 C16 -162.41(17) . . . .
S1 Co1 S2 C16 16.0(2) . . . .
N2 C1 C2 C3 2.3(9) . . . .
C1 C2 C3 C4 0.5(9) . . . .
C2 C3 C4 C5 177.6(6) . . . .
C2 C3 C4 C9 -3.4(8) . . . .
C3 C4 C5 C6 179.9(6) . . . .
C9 C4 C5 C6 0.9(9) . . . .
C4 C5 C6 C7 -1.8(11) . . . .
C5 C6 C7 C8 0.1(11) . . . .
C6 C7 C8 C9 2.5(9) . . . .
C6 C7 C8 S1 178.2(5) . . . .
C10 S1 C8 C7 85.0(5) . . . .
Co1 S1 C8 C7 -175.8(4) . . . .
C10 S1 C8 C9 -99.3(4) . . . .
Co1 S1 C8 C9 -0.1(4) . . . .
C7 C8 C9 N2 175.3(5) . . . .
S1 C8 C9 N2 -0.1(6) . . . .
C7 C8 C9 C4 -3.3(7) . . . .
S1 C8 C9 C4 -178.8(4) . . . .
C3 C4 C9 N2 3.9(7) . . . .
C5 C4 C9 N2 -177.1(5) . . . .
C3 C4 C9 C8 -177.4(5) . . . .
C5 C4 C9 C8 1.6(7) . . . .
C8 S1 C10 C11 77.4(4) . . . .
Co1 S1 C10 C11 -20.0(4) . . . .
S1 C10 C11 N1 16.7(6) . . . .
S1 C10 C11 C12 -164.7(4) . . . .
N1 C11 C12 C13 1.1(7) . . . .
C10 C11 C12 C13 -177.4(4) . . . .
C11 C12 C13 C14 -0.5(7) . . . .
C12 C13 C14 C15 -0.9(7) . . . .
C13 C14 C15 N1 1.7(7) . . . .
C13 C14 C15 C16 -173.4(4) . . . .
N1 C15 C16 S2 25.2(5) . . . .
C14 C15 C16 S2 -159.6(3) . . . .
C24 S2 C16 C15 71.2(4) . . . .
Co1 S2 C16 C15 -26.5(4) . . . .
N3 C17 C18 C19 -2.2(9) . . . .
C17 C18 C19 C20 3.3(8) . . . .
C18 C19 C20 C21 178.0(5) . . . .
C18 C19 C20 C25 -2.8(8) . . . .
C19 C20 C21 C22 179.9(5) . . . .
C25 C20 C21 C22 0.7(8) . . . .
C20 C21 C22 C23 -2.6(9) . . . .
C21 C22 C23 C24 1.9(8) . . . .
C22 C23 C24 C25 0.7(7) . . . .
C22 C23 C24 S2 178.0(4) . . . .
C16 S2 C24 C23 81.8(4) . . . .
Co1 S2 C24 C23 178.6(4) . . . .
C16 S2 C24 C25 -101.0(4) . . . .
Co1 S2 C24 C25 -4.2(4) . . . .
C23 C24 C25 N3 178.8(4) . . . .
S2 C24 C25 N3 1.6(6) . . . .
C23 C24 C25 C20 -2.5(7) . . . .
S2 C24 C25 C20 -179.7(3) . . . .
C21 C20 C25 N3 -179.5(5) . . . .
C19 C20 C25 N3 1.2(7) . . . .
C21 C20 C25 C24 1.8(7) . . . .
C19 C20 C25 C24 -177.4(4) . . . .
C12 C11 N1 C15 -0.2(6) . . . .
C10 C11 N1 C15 178.3(4) . . . .
C12 C11 N1 Co1 -179.8(3) . . . .
C10 C11 N1 Co1 -1.3(5) . . . .
C14 C15 N1 C11 -1.2(6) . . . .
C16 C15 N1 C11 174.0(4) . . . .
C14 C15 N1 Co1 178.4(3) . . . .
C16 C15 N1 Co1 -6.4(5) . . . .
N2 Co1 N1 C11 -92.2(3) . . . .
N3 Co1 N1 C11 88.7(3) . . . .
Cl1 Co1 N1 C11 -15.8(9) . . . .
S2 Co1 N1 C11 170.9(3) . . . .
S1 Co1 N1 C11 -9.3(3) . . . .
N2 Co1 N1 C15 88.3(3) . . . .
N3 Co1 N1 C15 -90.8(3) . . . .
Cl1 Co1 N1 C15 164.7(5) . . . .
S2 Co1 N1 C15 -8.6(3) . . . .
S1 Co1 N1 C15 171.2(3) . . . .
C2 C1 N2 C9 -1.8(8) . . . .
C2 C1 N2 Co1 177.8(4) . . . .
C8 C9 N2 C1 -179.9(5) . . . .
C4 C9 N2 C1 -1.3(7) . . . .
C8 C9 N2 Co1 0.4(6) . . . .
C4 C9 N2 Co1 179.0(3) . . . .
N3 Co1 N2 C1 -83(3) . . . .
N1 Co1 N2 C1 -99.4(4) . . . .
Cl1 Co1 N2 C1 89.0(4) . . . .
S2 Co1 N2 C1 -17.0(4) . . . .
S1 Co1 N2 C1 180.0(4) . . . .
N3 Co1 N2 C9 97(3) . . . .
N1 Co1 N2 C9 80.3(3) . . . .
Cl1 Co1 N2 C9 -91.3(3) . . . .
S2 Co1 N2 C9 162.6(3) . . . .
S1 Co1 N2 C9 -0.4(3) . . . .
C18 C17 N3 C25 0.6(7) . . . .
C18 C17 N3 Co1 176.1(4) . . . .
C24 C25 N3 C17 178.5(4) . . . .
C20 C25 N3 C17 -0.1(6) . . . .
C24 C25 N3 Co1 2.9(5) . . . .
C20 C25 N3 Co1 -175.7(3) . . . .
N2 Co1 N3 C17 -113(3) . . . .
N1 Co1 N3 C17 -96.9(4) . . . .
Cl1 Co1 N3 C17 74.7(4) . . . .
S2 Co1 N3 C17 -179.6(4) . . . .
S1 Co1 N3 C17 -16.7(4) . . . .
N2 Co1 N3 C25 62(3) . . . .
N1 Co1 N3 C25 78.4(3) . . . .
Cl1 Co1 N3 C25 -110.0(3) . . . .
S2 Co1 N3 C25 -4.3(3) . . . .
S1 Co1 N3 C25 158.7(3) . . . .
