#------------------------------------------------------------------------------
#$Date: 2025-08-22 10:56:18 +0200 (Fri 22 de Aug de 2025) $
#$Revision: 301860 $
#$URL: svn://www.crystallography.net/cod/cif/7/12/09/7120920.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_7120920
loop_
_publ_author_name
'Midya, Siba P.'
'Landge, Vinod G.'
'Sahoo, Manoj K.'
'Rana, Jagannath'
'Balaraman, Ekambaram'
_publ_section_title
;
 Cobalt-catalyzed acceptorless dehydrogenative coupling of aminoalcohols
 with alcohols: direct access to pyrrole, pyridine and pyrazine
 derivatives.
;
_journal_issue                   1
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              90
_journal_page_last               93
_journal_paper_doi               10.1039/c7cc07427a
_journal_volume                  54
_journal_year                    2017
_chemical_formula_moiety
'C16 H33 Cl4 Co2 N2 S4, 2(C16 H35.50 Cl4 Co2 N2 S4)'
_chemical_formula_sum            'C48 H104 Cl12 Co6 N6 S12'
_chemical_formula_weight         1929.07
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_block_doi                 10.5517/ccdc.csd.cc1p6x2w
_audit_creation_date             2017-06-16
_audit_creation_method
;
  Olex2 1.2-ac2
  (compiled Nov  7 2012 10:34:12, GUI svn.r4372)
;
_audit_update_record
;
2017-06-21 deposited with the CCDC.
2017-11-20 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 108.276(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   29.8732(14)
_cell_length_b                   7.1198(4)
_cell_length_c                   20.6123(11)
_cell_measurement_reflns_used    5857
_cell_measurement_temperature    149.97(15)
_cell_measurement_theta_max      28.8490
_cell_measurement_theta_min      3.4780
_cell_volume                     4162.9(4)
_computing_cell_refinement       'CrysAlisPro 1.171.38.43d (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43d (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43d (Rigaku OD, 2015)'
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement
;
SHELXL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution
;
SHELXS, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      149.97(15)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1640
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.9975
_diffrn_measured_fraction_theta_max 0.8625
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -37.00  47.00   1.00   36.97    --   19.90 -37.00  60.00   84
  2  ω    -17.00   9.00   1.00   36.97    --   19.90 -99.00  60.00   26
  3  ω    -51.00  46.00   1.00   36.97    --   19.90 -37.00 -30.00   97
  4  ω    -17.00  23.00   1.00   36.97    --  -20.22  57.00-150.00   40
  5  ω    -41.00  -4.00   1.00   36.97    --  -20.22  57.00 -90.00   37
  6  ω    -37.00 -10.00   1.00   36.97    --  -20.22 -77.00-120.00   27
  7  ω    -24.00  11.00   1.00   36.97    --  -20.22 -77.00 -90.00   35
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0245627000
_diffrn_orient_matrix_UB_12      0.0182097000
_diffrn_orient_matrix_UB_13      -0.0126127000
_diffrn_orient_matrix_UB_21      0.0013386000
_diffrn_orient_matrix_UB_22      0.0058431000
_diffrn_orient_matrix_UB_23      -0.0336808000
_diffrn_orient_matrix_UB_31      -0.0044664000
_diffrn_orient_matrix_UB_32      -0.0978318000
_diffrn_orient_matrix_UB_33      -0.0043347000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0423
_diffrn_reflns_av_unetI/netI     0.0497
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            25358
_diffrn_reflns_theta_full        29.34
_diffrn_reflns_theta_max         29.34
_diffrn_reflns_theta_min         2.95
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    1.889
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.59261
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.43d (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.539
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       niddle
_exptl_crystal_F_000             1984
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         4.001
_refine_diff_density_min         -1.134
_refine_diff_density_rms         0.212
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.123
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     401
_refine_ls_number_reflns         9858
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.123
_refine_ls_R_factor_all          0.1246
_refine_ls_R_factor_gt           0.1044
_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)+(0.0807P)²+78.6075P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2496
_refine_ls_wR_factor_ref         0.2632
_reflns_number_gt                7627
_reflns_number_total             9858
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7cc07427a2.cif
_cod_data_source_block           SNS-CoCl2-Dimer
_cod_depositor_comments          'Adding full bibliography for 7120920.cif.'
_cod_database_code               7120920
_chemical_oxdiff_formula         'C10 N10 S10 Cl10 H10 CO1'
_reflns_odcompleteness_completeness 99.75
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  {H2A,H2B} of C16B, H6 of N3, {H12A,H12B} of C18, {H11A,H11B} of C22, {H10A,
  H10B} of C19, H8 of N2, H7 of N1, {H13A,H13B} of C20, {H15A,H15B} of C10,
  {H16A,H16B} of C6, {H18A,H18B} of C21, {H17A,H17B} of C5, {H14A,H14B} of C24A,
   H7A of C24B, H4 of C16A, {H31A,H31B} of C2, {H19A,H19B} of C11, {H21A,H21B}
  of C14, {H20A,H20B} of C12, {H27A,H27B} of C4, {H25A,H25B} of C13, {H22A,
  H22B} of C3, H71 of C15, {H35A,H35B} of C7, H32 of C23
 At 1.5 times of:
  {H3A,H3B,H3C} of C1, {H30A,H30B,H30C} of C8, {H1A,H1B,H1C} of C17, {H53A,
  H53B,H53C} of C9
2. Others
 Fixed Sof: C16B(0.5) H2A(0.5) H2B(0.5) C24A(0.5) H14A(0.5) H14B(0.5)
 C24B(0.5) H7A(0.5) C16A(0.5) H4(0.5)
3.a Ternary CH refined with riding coordinates:
 N3(H6), N1(H7), N2(H8), C23(H32), C15(H71)
3.b Secondary CH2 refined with riding coordinates:
 C19(H10A,H10B), C22(H11A,H11B), C18(H12A,H12B), C20(H13A,H13B), C10(H15A,
 H15B), C6(H16A,H16B), C5(H17A,H17B), C21(H18A,H18B), C11(H19A,H19B), C12(H20A,
 H20B), C14(H21A,H21B), C3(H22A,H22B), C13(H25A,H25B), C4(H27A,H27B), C2(H31A,
 H31B), C7(H35A,H35B), C16B(H2A,H2B), C24A(H14A,H14B)
3.c Aromatic/amide H refined with riding coordinates:
 C24B(H7A), C16A(H4)
3.d Idealised Me refined as rotating group:
 C8(H30A,H30B,H30C), C9(H53A,H53B,H53C), C17(H1A,H1B,H1C), C1(H3A,H3B,H3C)
;
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.338
_oxdiff_exptl_absorpt_empirical_full_min 0.597
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x, -y-1/2, z-1/2'
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
Co3 Co 0.02024(3) 0.59152(13) 0.43033(5) 0.0136(2) Uani 1 1 d .
Co2 Co 0.35243(4) 1.05761(16) 0.58832(5) 0.0203(3) Uani 1 1 d .
Co1 Co 0.31185(4) 0.87293(15) 0.72682(5) 0.0186(2) Uani 1 1 d .
Cl6 Cl 0.00775(7) 0.2845(2) 0.47406(9) 0.0205(4) Uani 1 1 d .
Cl5 Cl 0.04763(7) 0.4720(3) 0.34391(9) 0.0206(4) Uani 1 1 d .
Cl3 Cl 0.32383(7) 1.1810(3) 0.68304(10) 0.0253(4) Uani 1 1 d .
Cl4 Cl 0.38166(7) 0.9388(3) 0.50378(10) 0.0296(5) Uani 1 1 d .
Cl1 Cl 0.28469(7) 0.9921(3) 0.81407(9) 0.0248(4) Uani 1 1 d .
Cl2 Cl 0.33927(7) 0.7507(3) 0.63051(10) 0.0256(4) Uani 1 1 d .
S5 S 0.10256(7) 0.6588(3) 0.51326(10) 0.0219(4) Uani 1 1 d .
S6 S -0.06475(7) 0.6376(3) 0.35547(11) 0.0258(4) Uani 1 1 d .
S2 S 0.22959(7) 0.8058(3) 0.64454(10) 0.0246(4) Uani 1 1 d .
S4 S 0.26793(8) 1.1040(4) 0.51292(11) 0.0332(5) Uani 1 1 d .
S1 S 0.39698(7) 0.8273(3) 0.80103(11) 0.0281(5) Uani 1 1 d .
S3 S 0.43319(8) 1.1238(3) 0.67340(12) 0.0314(5) Uani 1 1 d .
N3 N 0.0253(2) 0.8764(8) 0.4043(3) 0.0166(12) Uani 1 1 d .
H6 H 0.0149 0.9461 0.4336 0.020 Uiso 1 1 calc R
N1 N 0.3074(2) 0.5869(10) 0.7535(3) 0.0225(14) Uani 1 1 d .
H7 H 0.3178 0.5173 0.7240 0.027 Uiso 1 1 calc R
N2 N 0.3574(3) 1.3436(10) 0.5615(4) 0.0254(15) Uani 1 1 d .
H8 H 0.3463 1.4141 0.5899 0.030 Uiso 1 1 calc R
C19 C 0.1024(3) 0.9013(10) 0.4878(4) 0.0236(17) Uani 1 1 d .
H10A H 0.0895 0.9776 0.5166 0.028 Uiso 1 1 calc R
H10B H 0.1346 0.9413 0.4952 0.028 Uiso 1 1 calc R
C22 C -0.0570(3) 0.8761(14) 0.3312(5) 0.034(2) Uani 1 1 d .
H11A H -0.0775 0.8978 0.2849 0.041 Uiso 1 1 calc R
H11B H -0.0665 0.9617 0.3611 0.041 Uiso 1 1 calc R
C18 C 0.1462(3) 0.5654(12) 0.4778(5) 0.0301(19) Uani 1 1 d .
H12A H 0.1373 0.5932 0.4294 0.036 Uiso 1 1 calc R
H12B H 0.1766 0.6234 0.5000 0.036 Uiso 1 1 calc R
C20 C 0.0740(3) 0.9360(11) 0.4137(4) 0.0234(16) Uani 1 1 d .
H13A H 0.0748 1.0683 0.4028 0.028 Uiso 1 1 calc R
H13B H 0.0872 0.8647 0.3838 0.028 Uiso 1 1 calc R
C10 C 0.4794(4) 1.0364(16) 0.6433(6) 0.048(3) Uani 1 1 d .
H15A H 0.4718 1.0601 0.5947 0.058 Uiso 1 1 calc R
H15B H 0.5088 1.0995 0.6667 0.058 Uiso 1 1 calc R
C6 C 0.2293(3) 0.5633(12) 0.6702(4) 0.0271(18) Uani 1 1 d .
H16A H 0.1971 0.5253 0.6641 0.032 Uiso 1 1 calc R
H16B H 0.2412 0.4856 0.6406 0.032 Uiso 1 1 calc R
C5 C 0.2588(3) 0.5284(12) 0.7441(4) 0.0262(17) Uani 1 1 d .
H17A H 0.2461 0.5992 0.7745 0.031 Uiso 1 1 calc R
H17B H 0.2581 0.3961 0.7549 0.031 Uiso 1 1 calc R
C21 C -0.0061(3) 0.9184(12) 0.3348(4) 0.0249(17) Uani 1 1 d .
H18A H 0.0026 0.8424 0.3017 0.030 Uiso 1 1 calc R
H18B H -0.0032 1.0496 0.3241 0.030 Uiso 1 1 calc R
C11 C 0.4334(3) 1.3715(12) 0.6476(5) 0.033(2) Uani 1 1 d .
H19A H 0.4193 1.4481 0.6749 0.039 Uiso 1 1 calc R
H19B H 0.4657 1.4128 0.6565 0.039 Uiso 1 1 calc R
C12 C 0.4069(3) 1.4003(14) 0.5735(5) 0.033(2) Uani 1 1 d .
H20A H 0.4083 1.5313 0.5613 0.039 Uiso 1 1 calc R
H20B H 0.4208 1.3252 0.5455 0.039 Uiso 1 1 calc R
C14 C 0.2766(4) 1.3401(19) 0.4866(6) 0.054(3) Uani 1 1 d .
H21A H 0.2568 1.3582 0.4397 0.065 Uiso 1 1 calc R
H21B H 0.2664 1.4286 0.5149 0.065 Uiso 1 1 calc R
C3 C 0.3894(3) 0.5867(14) 0.8261(5) 0.032(2) Uani 1 1 d .
H22A H 0.3988 0.5008 0.7962 0.038 Uiso 1 1 calc R
H22B H 0.4101 0.5656 0.8723 0.038 Uiso 1 1 calc R
C13 C 0.3274(3) 1.3834(16) 0.4914(5) 0.037(2) Uani 1 1 d .
H25A H 0.3369 1.3064 0.4593 0.045 Uiso 1 1 calc R
H25B H 0.3303 1.5143 0.4805 0.045 Uiso 1 1 calc R
C4 C 0.3389(3) 0.5441(13) 0.8230(4) 0.0281(18) Uani 1 1 d .
H27A H 0.3360 0.4127 0.8335 0.034 Uiso 1 1 calc R
H27B H 0.3302 0.6198 0.8563 0.034 Uiso 1 1 calc R
C8 C 0.1830(4) 1.1065(14) 0.6700(6) 0.047(3) Uani 1 1 d .
H30A H 0.1701 1.1329 0.6220 0.070 Uiso 1 1 calc R
H30B H 0.2139 1.1609 0.6872 0.070 Uiso 1 1 calc R
H30C H 0.1630 1.1593 0.6937 0.070 Uiso 1 1 calc R
C2 C 0.4048(3) 0.9501(17) 0.8812(5) 0.041(2) Uani 1 1 d .
H31A H 0.3988 1.0828 0.8718 0.049 Uiso 1 1 calc R
H31B H 0.3817 0.9038 0.9016 0.049 Uiso 1 1 calc R
C23 C -0.0743(4) 0.522(2) 0.2736(6) 0.051(3) Uani 1 1 d .
H32 H -0.0513 0.5530 0.2502 0.061 Uiso 1 1 calc R
C7 C 0.1863(3) 0.8967(13) 0.6809(5) 0.0299(19) Uani 1 1 d .
H35A H 0.1559 0.8389 0.6590 0.036 Uiso 1 1 calc R
H35B H 0.1956 0.8685 0.7293 0.036 Uiso 1 1 calc R
C9 C 0.4843(4) 0.8288(19) 0.6570(8) 0.069(4) Uani 1 1 d .
H53A H 0.5006 0.7725 0.6285 0.104 Uiso 1 1 calc R
H53B H 0.4536 0.7735 0.6471 0.104 Uiso 1 1 calc R
H53C H 0.5019 0.8078 0.7041 0.104 Uiso 1 1 calc R
C15 C 0.2585(4) 0.977(3) 0.4342(7) 0.078(6) Uani 1 1 d .
H71 H 0.2822 0.9951 0.4109 0.094 Uiso 1 1 calc R
C17 C 0.1497(4) 0.3584(13) 0.4886(6) 0.046(3) Uani 1 1 d .
H1A H 0.1686 0.3054 0.4632 0.070 Uiso 1 1 calc R
H1B H 0.1187 0.3043 0.4733 0.070 Uiso 1 1 calc R
H1C H 0.1640 0.3322 0.5363 0.070 Uiso 1 1 calc R
C1 C 0.4519(4) 0.927(2) 0.9299(6) 0.060(4) Uani 1 1 d .
H3A H 0.4750 0.9425 0.9069 0.090 Uiso 1 1 calc R
H3B H 0.4548 0.8033 0.9496 0.090 Uiso 1 1 calc R
H3C H 0.4569 1.0191 0.9655 0.090 Uiso 1 1 calc R
C16B C 0.2103(7) 0.950(4) 0.3904(10) 0.052(7) Uani 0.50 1 d P
H2A H 0.1846 0.9946 0.4057 0.062 Uiso 0.50 1 calc PR
H2B H 0.2040 0.9418 0.3413 0.062 Uiso 0.50 1 calc PR
C24A C -0.1221(7) 0.510(4) 0.2304(10) 0.058(8) Uani 0.50 1 d P
H14A H -0.1286 0.5165 0.1813 0.069 Uiso 0.50 1 calc PR
H14B H -0.1470 0.5532 0.2478 0.069 Uiso 0.50 1 calc PR
C24B C -0.0840(9) 0.351(3) 0.2747(11) 0.049(6) Uani 0.50 1 d P
H7A H -0.0760 0.2286 0.2892 0.058 Uiso 0.50 1 calc PR
C16A C 0.2444(15) 0.833(4) 0.4330(17) 0.081(11) Uani 0.50 1 d P
H4 H 0.2510 0.7119 0.4498 0.097 Uiso 0.50 1 calc PR
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'
O O 0.0106 0.0060 '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'
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'
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
Cl6 Co3 Cl6 84.17(6) . 3_566
Cl6 Co3 S5 84.12(7) 3_566 .
Cl6 Co3 S5 98.46(7) . .
Cl6 Co3 S6 95.77(8) . .
Cl6 Co3 S6 85.22(7) 3_566 .
Cl5 Co3 Cl6 94.93(7) . .
Cl5 Co3 Cl6 178.50(8) . 3_566
Cl5 Co3 S5 94.83(7) . .
Cl5 Co3 S6 96.08(7) . .
S6 Co3 S5 161.22(8) . .
N3 Co3 Cl6 86.05(17) . 3_566
N3 Co3 Cl6 170.12(17) . .
N3 Co3 Cl5 94.87(17) . .
N3 Co3 S5 81.92(18) . .
N3 Co3 S6 81.96(19) . .
Cl3 Co2 S4 85.14(8) . .
Cl3 Co2 S3 83.11(8) . .
Cl4 Co2 Cl3 177.72(9) . .
Cl4 Co2 Cl2 94.67(8) . .
Cl4 Co2 S4 97.05(8) . .
Cl4 Co2 S3 94.92(8) . .
Cl2 Co2 Cl3 84.50(7) . .
Cl2 Co2 S4 95.43(9) . .
Cl2 Co2 S3 98.34(8) . .
S4 Co2 S3 160.92(10) . .
N2 Co2 Cl3 86.32(19) . .
N2 Co2 Cl4 94.58(19) . .
N2 Co2 Cl2 170.56(19) . .
N2 Co2 S4 81.6(2) . .
N2 Co2 S3 82.7(2) . .
Cl3 Co1 Cl2 84.14(7) . .
Cl3 Co1 S2 98.32(8) . .
Cl3 Co1 S1 95.86(8) . .
Cl1 Co1 Cl3 94.83(8) . .
Cl1 Co1 Cl2 178.32(8) . .
Cl1 Co1 S2 94.85(8) . .
Cl1 Co1 S1 96.07(8) . .
Cl2 Co1 S2 84.00(7) . .
Cl2 Co1 S1 85.37(7) . .
S1 Co1 S2 161.29(9) . .
N1 Co1 Cl3 170.22(19) . .
N1 Co1 Cl1 94.82(19) . .
N1 Co1 Cl2 86.24(18) . .
N1 Co1 S2 82.39(18) . .
N1 Co1 S1 81.58(18) . .
Co3 Cl6 Co3 95.83(6) . 3_566
Co1 Cl3 Co2 95.60(7) . .
Co2 Cl2 Co1 95.74(8) . .
C19 S5 Co3 94.0(3) . .
C19 S5 C18 99.8(4) . .
C18 S5 Co3 108.9(3) . .
C22 S6 Co3 95.7(3) . .
C22 S6 C23 99.4(6) . .
C23 S6 Co3 110.0(3) . .
C6 S2 Co1 94.4(3) . .
C7 S2 Co1 108.8(3) . .
C7 S2 C6 98.7(4) . .
C14 S4 Co2 95.5(4) . .
C15 S4 Co2 109.3(4) . .
C15 S4 C14 101.1(8) . .
C3 S1 Co1 95.8(3) . .
C2 S1 Co1 107.7(3) . .
C2 S1 C3 100.7(5) . .
C10 S3 Co2 111.3(4) . .
C10 S3 C11 99.2(5) . .
C11 S3 Co2 93.8(3) . .
C20 N3 Co3 113.0(5) . .
C20 N3 C21 111.9(6) . .
C21 N3 Co3 111.5(5) . .
C5 N1 Co1 112.2(5) . .
C5 N1 C4 111.9(6) . .
C4 N1 Co1 112.1(5) . .
C12 N2 Co2 111.5(5) . .
C13 N2 Co2 111.6(6) . .
C13 N2 C12 112.5(7) . .
C20 C19 S5 113.5(5) . .
C21 C22 S6 112.5(6) . .
C17 C18 S5 109.2(8) . .
N3 C20 C19 107.7(6) . .
C9 C10 S3 108.4(9) . .
C5 C6 S2 113.2(6) . .
N1 C5 C6 109.0(7) . .
N3 C21 C22 109.2(6) . .
C12 C11 S3 112.2(6) . .
N2 C12 C11 108.3(7) . .
C13 C14 S4 113.7(8) . .
C4 C3 S1 112.6(6) . .
N2 C13 C14 108.4(7) . .
N1 C4 C3 108.7(7) . .
C1 C2 S1 113.1(8) . .
C24A C23 S6 116.2(10) . .
C24B C23 S6 113.0(14) . .
C24B C23 C24A 76.2(18) . .
C8 C7 S2 108.3(7) . .
C16B C15 S4 118.1(12) . .
C16A C15 S4 116(2) . .
C16A C15 C16B 64(2) . .
C16A C16B C15 45.6(15) . .
C23 C24A C24B 47.2(12) . .
C23 C24B C24A 56.6(13) . .
C15 C16A C16B 70(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co3 Cl6 2.5289(19) 3_566
Co3 Cl6 2.4373(19) .
Co3 Cl5 2.3412(19) .
Co3 S5 2.562(2) .
Co3 S6 2.545(2) .
Co3 N3 2.116(6) .
Co2 Cl3 2.522(2) .
Co2 Cl4 2.339(2) .
Co2 Cl2 2.429(2) .
Co2 S4 2.537(2) .
Co2 S3 2.543(2) .
Co2 N2 2.127(7) .
Co1 Cl3 2.441(2) .
Co1 Cl1 2.351(2) .
Co1 Cl2 2.528(2) .
Co1 S2 2.555(2) .
Co1 S1 2.544(2) .
Co1 N1 2.124(7) .
Cl6 Co3 2.5290(19) 3_566
S5 C19 1.804(8) .
S5 C18 1.810(9) .
S6 C22 1.805(10) .
S6 C23 1.817(10) .
S2 C6 1.807(9) .
S2 C7 1.805(9) .
S4 C14 1.810(13) .
S4 C15 1.802(12) .
S1 C3 1.824(10) .
S1 C2 1.818(9) .
S3 C10 1.793(12) .
S3 C11 1.842(9) .
N3 C20 1.469(10) .
N3 C21 1.476(10) .
N1 C5 1.464(10) .
N1 C4 1.479(10) .
N2 C12 1.476(12) .
N2 C13 1.470(11) .
C19 C20 1.516(11) .
C22 C21 1.529(12) .
C18 C17 1.489(12) .
C10 C9 1.504(17) .
C6 C5 1.522(11) .
C11 C12 1.498(13) .
C14 C13 1.521(14) .
C3 C4 1.521(12) .
C8 C7 1.509(13) .
C2 C1 1.461(15) .
C23 C24A 1.43(2) .
C23 C24B 1.25(3) .
C15 C16B 1.45(2) .
C15 C16A 1.10(3) .
C16B C16A 1.39(4) .
C24A C24B 1.66(4) .
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139188208
