#------------------------------------------------------------------------------
#$Date: 2019-11-23 05:24:37 +0200 (Sat, 23 Nov 2019) $
#$Revision: 232225 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/72/4347215.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_4347215
loop_
_publ_author_name
'Fliedel, Christophe'
'Rosa, Vitor'
'Vileno, Bertrand'
'Parizel, Nathalie'
'Choua, Sylvie'
'Gourlaouen, Christophe'
'Rosa, Patrick'
'Turek, Philippe'
'Braunstein, Pierre'
_publ_section_title
;
 Zwitterionic Cobalt Complexes with
 Bis(diphenylphosphino)(N-thioether)amine Assembling Ligands: Structural,
 EPR, Magnetic, and Computational Studies.
;
_journal_issue                   9
_journal_name_full               'Inorganic chemistry'
_journal_page_first              4183
_journal_page_last               4198
_journal_paper_doi               10.1021/acs.inorgchem.5b02889
_journal_volume                  55
_journal_year                    2016
_chemical_formula_moiety         'C56 H58 Cl5 Co2 N2 P4 S2'
_chemical_formula_sum            'C56 H58 Cl5 Co2 N2 P4 S2'
_chemical_formula_weight         1242.15
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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                98.646(2)
_cell_angle_beta                 110.634(2)
_cell_angle_gamma                90.728(2)
_cell_formula_units_Z            2
_cell_length_a                   12.1774(4)
_cell_length_b                   15.9750(4)
_cell_length_c                   16.2155(5)
_cell_measurement_reflns_used    9095
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.103
_cell_measurement_theta_min      0.998
_cell_volume                     2911.20(16)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    ORTEP-3
_computing_publication_material  PLATON
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0300
_diffrn_reflns_av_sigmaI/netI    0.0690
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            18990
_diffrn_reflns_theta_full        27.16
_diffrn_reflns_theta_max         27.16
_diffrn_reflns_theta_min         1.29
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.019
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.417
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1278
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.451
_refine_diff_density_min         -0.489
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     642
_refine_ls_number_reflns         12772
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0777
_refine_ls_R_factor_gt           0.0446
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0423P)²+0.7058P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0892
_refine_ls_wR_factor_ref         0.1010
_reflns_number_gt                9078
_reflns_number_total             12772
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5b02889_si_002.cif
_cod_data_source_block           shelxl
_cod_original_cell_volume        2911.20(15)
_cod_database_code               4347215
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-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
Co1 Co 0.56203(3) 0.24120(2) 0.28550(2) 0.01561(9) Uani 1 1 d .
Co2 Co -0.00466(3) -0.24590(2) 0.20944(2) 0.02223(10) Uani 1 1 d .
P1 P 0.56094(6) 0.14167(4) 0.37066(4) 0.01775(16) Uani 1 1 d .
P2 P 0.39636(6) 0.15380(4) 0.21474(4) 0.01815(16) Uani 1 1 d .
P3 P 0.56084(6) 0.33838(4) 0.19488(4) 0.01734(15) Uani 1 1 d .
P4 P 0.71801(6) 0.33791(4) 0.35938(4) 0.01728(15) Uani 1 1 d .
Cl1 Cl 0.46311(6) 0.31592(4) 0.35912(4) 0.01922(15) Uani 1 1 d .
Cl2 Cl 0.66873(6) 0.16367(4) 0.22136(4) 0.02333(16) Uani 1 1 d .
Cl3 Cl 0.04439(7) -0.23730(5) 0.36026(5) 0.03174(18) Uani 1 1 d .
Cl4 Cl 0.12672(6) -0.26709(4) 0.13610(5) 0.02895(17) Uani 1 1 d .
Cl5 Cl -0.19646(6) -0.23390(5) 0.12542(5) 0.03477(19) Uani 1 1 d .
S1 S 0.03397(7) -0.08606(5) 0.23748(6) 0.0372(2) Uani 1 1 d .
S2 S 0.97316(7) 0.59358(5) 0.19134(5) 0.02885(18) Uani 1 1 d .
N1 N 0.42610(19) 0.09876(13) 0.30157(14) 0.0205(5) Uani 1 1 d .
N2 N 0.6863(2) 0.39067(13) 0.27119(14) 0.0202(5) Uani 1 1 d .
C1 C 0.3741(2) 0.01456(17) 0.3037(2) 0.0269(7) Uani 1 1 d .
H1A H 0.4188 -0.0037 0.3597 0.032 Uiso 1 1 calc R
H1B H 0.3814 -0.0265 0.2557 0.032 Uiso 1 1 calc R
C2 C 0.2448(2) 0.01509(17) 0.2941(2) 0.0276(7) Uani 1 1 d .
H2A H 0.2381 0.0454 0.3485 0.033 Uiso 1 1 calc R
H2B H 0.2019 0.0440 0.2452 0.033 Uiso 1 1 calc R
C3 C 0.1922(2) -0.07606(17) 0.2763(2) 0.0286(7) Uani 1 1 d .
H3A H 0.2231 -0.0998 0.3309 0.034 Uiso 1 1 calc R
H3B H 0.2177 -0.1094 0.2320 0.034 Uiso 1 1 calc R
C4 C -0.0001(3) -0.0619(2) 0.1270(3) 0.0593(12) Uani 1 1 d .
H4A H 0.0173 -0.0024 0.1306 0.089 Uiso 1 1 calc R
H4B H -0.0820 -0.0763 0.0931 0.089 Uiso 1 1 calc R
H4C H 0.0464 -0.0940 0.0983 0.089 Uiso 1 1 calc R
C5 C 0.7348(3) 0.47782(17) 0.27438(19) 0.0263(7) Uani 1 1 d .
H5A H 0.7760 0.5027 0.3364 0.032 Uiso 1 1 calc R
H5B H 0.6695 0.5121 0.2503 0.032 Uiso 1 1 calc R
C6 C 0.8178(3) 0.48287(17) 0.22414(19) 0.0287(7) Uani 1 1 d .
H6A H 0.7781 0.4593 0.1615 0.034 Uiso 1 1 calc R
H6B H 0.8852 0.4505 0.2483 0.034 Uiso 1 1 calc R
C7 C 0.8580(3) 0.57603(18) 0.2339(2) 0.0318(7) Uani 1 1 d .
H7A H 0.8854 0.6008 0.2967 0.038 Uiso 1 1 calc R
H7B H 0.7907 0.6058 0.2029 0.038 Uiso 1 1 calc R
C8 C 0.8987(3) 0.5585(2) 0.0738(2) 0.0459(9) Uani 1 1 d .
H8A H 0.8824 0.4981 0.0624 0.069 Uiso 1 1 calc R
H8B H 0.9477 0.5732 0.0421 0.069 Uiso 1 1 calc R
H8C H 0.8262 0.5856 0.0538 0.069 Uiso 1 1 calc R
C9 C 0.6598(2) 0.05654(16) 0.38035(18) 0.0227(6) Uani 1 1 d .
C10 C 0.6495(3) -0.00293(17) 0.30502(19) 0.0281(7) Uani 1 1 d .
H10 H 0.5878 -0.0016 0.2515 0.034 Uiso 1 1 calc R
C11 C 0.7302(3) -0.06398(19) 0.3094(2) 0.0368(8) Uani 1 1 d .
H11 H 0.7225 -0.1035 0.2589 0.044 Uiso 1 1 calc R
C12 C 0.8224(3) -0.0662(2) 0.3887(2) 0.0410(8) Uani 1 1 d .
H12 H 0.8771 -0.1068 0.3916 0.049 Uiso 1 1 calc R
C13 C 0.8327(3) -0.0078(2) 0.4639(2) 0.0392(8) Uani 1 1 d .
H13 H 0.8942 -0.0099 0.5173 0.047 Uiso 1 1 calc R
C14 C 0.7527(3) 0.05347(18) 0.4603(2) 0.0305(7) Uani 1 1 d .
H14 H 0.7609 0.0926 0.5110 0.037 Uiso 1 1 calc R
C15 C 0.5548(2) 0.17431(16) 0.48127(17) 0.0211(6) Uani 1 1 d .
C16 C 0.6467(3) 0.22728(18) 0.54456(18) 0.0282(7) Uani 1 1 d .
H16 H 0.7108 0.2434 0.5305 0.034 Uiso 1 1 calc R
C17 C 0.6435(3) 0.2562(2) 0.62838(19) 0.0380(8) Uani 1 1 d .
H17 H 0.7053 0.2916 0.6705 0.046 Uiso 1 1 calc R
C18 C 0.5494(3) 0.2328(2) 0.6495(2) 0.0446(9) Uani 1 1 d .
H18 H 0.5477 0.2521 0.7061 0.054 Uiso 1 1 calc R
C19 C 0.4574(3) 0.1809(2) 0.5874(2) 0.0496(10) Uani 1 1 d .
H19 H 0.3934 0.1654 0.6019 0.060 Uiso 1 1 calc R
C20 C 0.4597(3) 0.1513(2) 0.5029(2) 0.0376(8) Uani 1 1 d .
H20 H 0.3973 0.1162 0.4609 0.045 Uiso 1 1 calc R
C21 C 0.3680(3) 0.08066(17) 0.11146(18) 0.0255(7) Uani 1 1 d .
C22 C 0.4183(3) 0.0972(2) 0.05102(19) 0.0351(8) Uani 1 1 d .
H22 H 0.4781 0.1400 0.0677 0.042 Uiso 1 1 calc R
C23 C 0.3801(3) 0.0503(3) -0.0344(2) 0.0537(10) Uani 1 1 d .
H23 H 0.4126 0.0632 -0.0754 0.064 Uiso 1 1 calc R
C24 C 0.2948(4) -0.0149(2) -0.0590(2) 0.0569(11) Uani 1 1 d .
H24 H 0.2694 -0.0460 -0.1164 0.068 Uiso 1 1 calc R
C25 C 0.2473(4) -0.0340(2) 0.0015(2) 0.0536(11) Uani 1 1 d .
H25 H 0.1920 -0.0798 -0.0145 0.064 Uiso 1 1 calc R
C26 C 0.2806(3) 0.01408(19) 0.0861(2) 0.0417(9) Uani 1 1 d .
H26 H 0.2452 0.0022 0.1258 0.050 Uiso 1 1 calc R
C27 C 0.2545(2) 0.19840(16) 0.19290(17) 0.0203(6) Uani 1 1 d .
C28 C 0.2071(2) 0.22172(17) 0.25925(18) 0.0242(6) Uani 1 1 d .
H28 H 0.2450 0.2098 0.3165 0.029 Uiso 1 1 calc R
C29 C 0.1034(3) 0.2627(2) 0.2396(2) 0.0377(8) Uani 1 1 d .
H29 H 0.0708 0.2770 0.2834 0.045 Uiso 1 1 calc R
C30 C 0.0484(3) 0.2823(2) 0.1552(2) 0.0441(9) Uani 1 1 d .
H30 H -0.0201 0.3110 0.1429 0.053 Uiso 1 1 calc R
C31 C 0.0937(3) 0.2598(2) 0.0895(2) 0.0386(8) Uani 1 1 d .
H31 H 0.0557 0.2727 0.0326 0.046 Uiso 1 1 calc R
C32 C 0.1961(3) 0.21794(18) 0.10759(18) 0.0292(7) Uani 1 1 d .
H32 H 0.2264 0.2026 0.0627 0.035 Uiso 1 1 calc R
C33 C 0.4536(2) 0.41708(16) 0.16344(17) 0.0212(6) Uani 1 1 d .
C34 C 0.3560(3) 0.42117(19) 0.18896(19) 0.0300(7) Uani 1 1 d .
H34 H 0.3411 0.3806 0.2200 0.036 Uiso 1 1 calc R
C35 C 0.2806(3) 0.4857(2) 0.1683(2) 0.0388(8) Uani 1 1 d .
H35 H 0.2150 0.4879 0.1852 0.047 Uiso 1 1 calc R
C36 C 0.3024(3) 0.5463(2) 0.1229(2) 0.0413(9) Uani 1 1 d .
H36 H 0.2536 0.5908 0.1115 0.050 Uiso 1 1 calc R
C37 C 0.3968(3) 0.5411(2) 0.0944(2) 0.0423(9) Uani 1 1 d .
H37 H 0.4098 0.5808 0.0619 0.051 Uiso 1 1 calc R
C38 C 0.4719(3) 0.47706(18) 0.1141(2) 0.0351(8) Uani 1 1 d .
H38 H 0.5351 0.4737 0.0945 0.042 Uiso 1 1 calc R
C39 C 0.5868(2) 0.30510(16) 0.09145(17) 0.0205(6) Uani 1 1 d .
C40 C 0.6994(2) 0.28946(16) 0.09133(18) 0.0219(6) Uani 1 1 d .
H40 H 0.7638 0.2999 0.1446 0.026 Uiso 1 1 calc R
C41 C 0.7152(3) 0.25848(17) 0.01226(19) 0.0279(7) Uani 1 1 d .
H41 H 0.7905 0.2496 0.0122 0.033 Uiso 1 1 calc R
C42 C 0.6190(3) 0.24050(18) -0.06711(19) 0.0304(7) Uani 1 1 d .
H42 H 0.6297 0.2191 -0.1201 0.036 Uiso 1 1 calc R
C43 C 0.5078(3) 0.25442(19) -0.06697(19) 0.0311(7) Uani 1 1 d .
H43 H 0.4432 0.2415 -0.1200 0.037 Uiso 1 1 calc R
C44 C 0.4911(3) 0.28743(18) 0.01134(18) 0.0266(7) Uani 1 1 d .
H44 H 0.4157 0.2978 0.0105 0.032 Uiso 1 1 calc R
C45 C 0.8711(2) 0.31221(17) 0.39552(17) 0.0220(6) Uani 1 1 d .
C46 C 0.9008(3) 0.22928(18) 0.40203(18) 0.0284(7) Uani 1 1 d .
H46 H 0.8422 0.1852 0.3821 0.034 Uiso 1 1 calc R
C47 C 1.0177(3) 0.2123(2) 0.4383(2) 0.0386(8) Uani 1 1 d .
H47 H 1.0373 0.1566 0.4419 0.046 Uiso 1 1 calc R
C48 C 1.1059(3) 0.2772(2) 0.4694(2) 0.0431(9) Uani 1 1 d .
H48 H 1.1842 0.2652 0.4941 0.052 Uiso 1 1 calc R
C49 C 1.0771(3) 0.3596(2) 0.4634(2) 0.0382(8) Uani 1 1 d .
H49 H 1.1361 0.4033 0.4842 0.046 Uiso 1 1 calc R
C50 C 0.9615(3) 0.37767(19) 0.42692(19) 0.0304(7) Uani 1 1 d .
H50 H 0.9429 0.4336 0.4230 0.036 Uiso 1 1 calc R
C51 C 0.7173(2) 0.41709(16) 0.45201(17) 0.0196(6) Uani 1 1 d .
C52 C 0.6389(2) 0.48083(16) 0.43775(18) 0.0216(6) Uani 1 1 d .
H52 H 0.5881 0.4837 0.3801 0.026 Uiso 1 1 calc R
C53 C 0.6357(3) 0.53993(17) 0.50852(19) 0.0268(7) Uani 1 1 d .
H53 H 0.5842 0.5830 0.4984 0.032 Uiso 1 1 calc R
C54 C 0.7093(3) 0.53448(19) 0.5939(2) 0.0328(7) Uani 1 1 d .
H54 H 0.7068 0.5739 0.6416 0.039 Uiso 1 1 calc R
C55 C 0.7866(3) 0.47154(19) 0.60976(19) 0.0319(7) Uani 1 1 d .
H55 H 0.8355 0.4684 0.6679 0.038 Uiso 1 1 calc R
C56 C 0.7917(2) 0.41280(17) 0.53929(18) 0.0247(6) Uani 1 1 d .
H56 H 0.8445 0.3706 0.5500 0.030 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
S S 0.1246 0.1234 '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'
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'
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_3
Cl2 Co1 Cl1 175.79(3) .
Cl2 Co1 P1 90.99(3) .
Cl1 Co1 P1 85.75(3) .
Cl2 Co1 P2 94.03(3) .
Cl1 Co1 P2 87.48(3) .
P1 Co1 P2 71.67(3) .
Cl2 Co1 P4 90.85(3) .
Cl1 Co1 P4 87.75(3) .
P1 Co1 P4 109.76(3) .
P2 Co1 P4 174.90(3) .
Cl2 Co1 P3 87.77(3) .
Cl1 Co1 P3 95.56(3) .
P1 Co1 P3 177.98(3) .
P2 Co1 P3 106.83(3) .
P4 Co1 P3 71.86(3) .
Cl5 Co2 Cl3 117.94(3) .
Cl5 Co2 Cl4 117.66(3) .
Cl3 Co2 Cl4 124.40(3) .
Cl5 Co2 S1 90.44(3) .
Cl3 Co2 S1 87.29(3) .
Cl4 Co2 S1 92.76(3) .
Cl5 Co2 S2 94.21(3) 1_445
Cl3 Co2 S2 89.68(3) 1_445
Cl4 Co2 S2 85.94(3) 1_445
S1 Co2 S2 175.26(3) 1_445
N1 P1 C9 106.73(11) .
N1 P1 C15 108.03(12) .
C9 P1 C15 106.34(13) .
N1 P1 Co1 92.99(8) .
C9 P1 Co1 121.15(9) .
C15 P1 Co1 119.31(9) .
C9 P1 P2 120.57(9) .
C15 P1 P2 127.31(10) .
Co1 P1 P2 54.33(2) .
N1 P2 C21 109.73(12) .
N1 P2 C27 110.21(12) .
C21 P2 C27 100.70(13) .
N1 P2 Co1 92.32(7) .
C21 P2 Co1 124.52(10) .
C27 P2 Co1 118.77(8) .
C21 P2 P1 125.43(10) .
C27 P2 P1 128.72(9) .
Co1 P2 P1 54.00(2) .
N2 P3 C39 108.00(12) .
N2 P3 C33 107.16(11) .
C39 P3 C33 101.84(13) .
N2 P3 Co1 91.76(8) .
C39 P3 Co1 119.63(9) .
C33 P3 Co1 126.26(9) .
C39 P3 P4 125.16(10) .
C33 P3 P4 125.50(9) .
Co1 P3 P4 53.90(2) .
N2 P4 C51 104.86(12) .
N2 P4 C45 110.23(12) .
C51 P4 C45 102.05(12) .
N2 P4 Co1 92.12(7) .
C51 P4 Co1 120.96(9) .
C45 P4 Co1 124.37(9) .
C51 P4 P3 120.09(10) .
C45 P4 P3 130.41(9) .
Co1 P4 P3 54.24(2) .
C4 S1 C3 99.94(16) .
C4 S1 Co2 102.88(13) .
C3 S1 Co2 101.02(10) .
C8 S2 C7 101.49(16) .
C8 S2 Co2 104.94(11) 1_665
C7 S2 Co2 102.93(10) 1_665
C1 N1 P1 124.71(18) .
C1 N1 P2 129.06(17) .
P1 N1 P2 102.61(11) .
C5 N2 P4 125.44(17) .
C5 N2 P3 127.54(18) .
P4 N2 P3 104.16(11) .
N1 C1 C2 113.5(2) .
N1 C1 H1A 108.9 .
C2 C1 H1A 108.9 .
N1 C1 H1B 108.9 .
C2 C1 H1B 108.9 .
H1A C1 H1B 107.7 .
C3 C2 C1 109.6(2) .
C3 C2 H2A 109.8 .
C1 C2 H2A 109.8 .
C3 C2 H2B 109.8 .
C1 C2 H2B 109.8 .
H2A C2 H2B 108.2 .
C2 C3 S1 114.2(2) .
C2 C3 H3A 108.7 .
S1 C3 H3A 108.7 .
C2 C3 H3B 108.7 .
S1 C3 H3B 108.7 .
H3A C3 H3B 107.6 .
S1 C4 H4A 109.5 .
S1 C4 H4B 109.5 .
H4A C4 H4B 109.5 .
S1 C4 H4C 109.5 .
H4A C4 H4C 109.5 .
H4B C4 H4C 109.5 .
N2 C5 C6 115.4(2) .
N2 C5 H5A 108.4 .
C6 C5 H5A 108.4 .
N2 C5 H5B 108.4 .
C6 C5 H5B 108.4 .
H5A C5 H5B 107.5 .
C5 C6 C7 108.5(2) .
C5 C6 H6A 110.0 .
C7 C6 H6A 110.0 .
C5 C6 H6B 110.0 .
C7 C6 H6B 110.0 .
H6A C6 H6B 108.4 .
C6 C7 S2 114.8(2) .
C6 C7 H7A 108.6 .
S2 C7 H7A 108.6 .
C6 C7 H7B 108.6 .
S2 C7 H7B 108.6 .
H7A C7 H7B 107.5 .
S2 C8 H8A 109.5 .
S2 C8 H8B 109.5 .
H8A C8 H8B 109.5 .
S2 C8 H8C 109.5 .
H8A C8 H8C 109.5 .
H8B C8 H8C 109.5 .
C14 C9 C10 118.9(3) .
C14 C9 P1 121.0(2) .
C10 C9 P1 119.8(2) .
C11 C10 C9 120.6(3) .
C11 C10 H10 119.7 .
C9 C10 H10 119.7 .
C12 C11 C10 120.0(3) .
C12 C11 H11 120.0 .
C10 C11 H11 120.0 .
C11 C12 C13 119.7(3) .
C11 C12 H12 120.1 .
C13 C12 H12 120.1 .
C14 C13 C12 120.7(3) .
C14 C13 H13 119.6 .
C12 C13 H13 119.6 .
C13 C14 C9 120.0(3) .
C13 C14 H14 120.0 .
C9 C14 H14 120.0 .
C20 C15 C16 119.2(3) .
C20 C15 P1 122.3(2) .
C16 C15 P1 118.4(2) .
C17 C16 C15 120.3(3) .
C17 C16 H16 119.8 .
C15 C16 H16 119.8 .
C18 C17 C16 120.2(3) .
C18 C17 H17 119.9 .
C16 C17 H17 119.9 .
C17 C18 C19 120.2(3) .
C17 C18 H18 119.9 .
C19 C18 H18 119.9 .
C18 C19 C20 120.2(3) .
C18 C19 H19 119.9 .
C20 C19 H19 119.9 .
C15 C20 C19 119.9(3) .
C15 C20 H20 120.0 .
C19 C20 H20 120.0 .
C22 C21 C26 119.0(3) .
C22 C21 P2 120.5(2) .
C26 C21 P2 119.8(2) .
C21 C22 C23 120.4(3) .
C21 C22 H22 119.8 .
C23 C22 H22 119.8 .
C24 C23 C22 120.5(4) .
C24 C23 H23 119.8 .
C22 C23 H23 119.8 .
C25 C24 C23 119.7(3) .
C25 C24 H24 120.1 .
C23 C24 H24 120.1 .
C24 C25 C26 120.9(3) .
C24 C25 H25 119.6 .
C26 C25 H25 119.6 .
C25 C26 C21 119.5(3) .
C25 C26 H26 120.3 .
C21 C26 H26 120.3 .
C28 C27 C32 118.7(3) .
C28 C27 P2 123.0(2) .
C32 C27 P2 117.9(2) .
C29 C28 C27 119.9(3) .
C29 C28 H28 120.0 .
C27 C28 H28 120.0 .
C30 C29 C28 120.1(3) .
C30 C29 H29 119.9 .
C28 C29 H29 119.9 .
C31 C30 C29 120.6(3) .
C31 C30 H30 119.7 .
C29 C30 H30 119.7 .
C30 C31 C32 120.0(3) .
C30 C31 H31 120.0 .
C32 C31 H31 120.0 .
C31 C32 C27 120.6(3) .
C31 C32 H32 119.7 .
C27 C32 H32 119.7 .
C34 C33 C38 118.9(3) .
C34 C33 P3 122.2(2) .
C38 C33 P3 118.9(2) .
C33 C34 C35 120.2(3) .
C33 C34 H34 119.9 .
C35 C34 H34 119.9 .
C36 C35 C34 120.3(3) .
C36 C35 H35 119.9 .
C34 C35 H35 119.9 .
C35 C36 C37 120.0(3) .
C35 C36 H36 120.0 .
C37 C36 H36 120.0 .
C38 C37 C36 120.2(3) .
C38 C37 H37 119.9 .
C36 C37 H37 119.9 .
C37 C38 C33 120.4(3) .
C37 C38 H38 119.8 .
C33 C38 H38 119.8 .
C44 C39 C40 119.1(3) .
C44 C39 P3 119.2(2) .
C40 C39 P3 121.5(2) .
C41 C40 C39 120.2(3) .
C41 C40 H40 119.9 .
C39 C40 H40 119.9 .
C40 C41 C42 120.2(3) .
C40 C41 H41 119.9 .
C42 C41 H41 119.9 .
C43 C42 C41 119.7(3) .
C43 C42 H42 120.1 .
C41 C42 H42 120.1 .
C42 C43 C44 120.6(3) .
C42 C43 H43 119.7 .
C44 C43 H43 119.7 .
C43 C44 C39 120.2(3) .
C43 C44 H44 119.9 .
C39 C44 H44 119.9 .
C46 C45 C50 118.9(3) .
C46 C45 P4 120.8(2) .
C50 C45 P4 120.0(2) .
C47 C46 C45 119.8(3) .
C47 C46 H46 120.1 .
C45 C46 H46 120.1 .
C46 C47 C48 120.9(3) .
C46 C47 H47 119.5 .
C48 C47 H47 119.5 .
C49 C48 C47 119.6(3) .
C49 C48 H48 120.2 .
C47 C48 H48 120.2 .
C48 C49 C50 120.4(3) .
C48 C49 H49 119.8 .
C50 C49 H49 119.8 .
C49 C50 C45 120.4(3) .
C49 C50 H50 119.8 .
C45 C50 H50 119.8 .
C52 C51 C56 119.0(2) .
C52 C51 P4 120.5(2) .
C56 C51 P4 120.5(2) .
C53 C52 C51 120.7(3) .
C53 C52 H52 119.6 .
C51 C52 H52 119.6 .
C54 C53 C52 119.5(3) .
C54 C53 H53 120.3 .
C52 C53 H53 120.3 .
C53 C54 C55 120.9(3) .
C53 C54 H54 119.6 .
C55 C54 H54 119.6 .
C54 C55 C56 120.1(3) .
C54 C55 H55 119.9 .
C56 C55 H55 119.9 .
C55 C56 C51 119.8(3) .
C55 C56 H56 120.1 .
C51 C56 H56 120.1 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 Cl2 2.2158(8) .
Co1 Cl1 2.2187(7) .
Co1 P1 2.2601(7) .
Co1 P2 2.2696(7) .
Co1 P4 2.2793(7) .
Co1 P3 2.2892(7) .
Co2 Cl5 2.2793(8) .
Co2 Cl3 2.2856(8) .
Co2 Cl4 2.3070(8) .
Co2 S1 2.5333(8) .
Co2 S2 2.5367(8) 1_445
P1 N1 1.693(2) .
P1 C9 1.815(3) .
P1 C15 1.819(3) .
P1 P2 2.6518(10) .
P2 N1 1.705(2) .
P2 C21 1.812(3) .
P2 C27 1.814(3) .
P3 N2 1.699(2) .
P3 C39 1.818(3) .
P3 C33 1.820(3) .
P3 P4 2.6808(10) .
P4 N2 1.699(2) .
P4 C51 1.815(3) .
P4 C45 1.820(3) .
S1 C4 1.794(4) .
S1 C3 1.801(3) .
S2 C8 1.794(3) .
S2 C7 1.803(3) .
S2 Co2 2.5367(8) 1_665
N1 C1 1.490(3) .
N2 C5 1.492(3) .
C1 C2 1.528(4) .
C1 H1A 0.9700 .
C1 H1B 0.9700 .
C2 C3 1.528(4) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 H4A 0.9600 .
C4 H4B 0.9600 .
C4 H4C 0.9600 .
C5 C6 1.514(4) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C6 C7 1.528(4) .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 C14 1.396(4) .
C9 C10 1.397(4) .
C10 C11 1.386(4) .
C10 H10 0.9300 .
C11 C12 1.383(5) .
C11 H11 0.9300 .
C12 C13 1.384(5) .
C12 H12 0.9300 .
C13 C14 1.383(4) .
C13 H13 0.9300 .
C14 H14 0.9300 .
C15 C20 1.383(4) .
C15 C16 1.389(4) .
C16 C17 1.383(4) .
C16 H16 0.9300 .
C17 C18 1.369(5) .
C17 H17 0.9300 .
C18 C19 1.374(5) .
C18 H18 0.9300 .
C19 C20 1.392(4) .
C19 H19 0.9300 .
C20 H20 0.9300 .
C21 C22 1.379(4) .
C21 C26 1.402(4) .
C22 C23 1.386(4) .
C22 H22 0.9300 .
C23 C24 1.371(5) .
C23 H23 0.9300 .
C24 C25 1.369(5) .
C24 H24 0.9300 .
C25 C26 1.386(4) .
C25 H25 0.9300 .
C26 H26 0.9300 .
C27 C28 1.397(4) .
C27 C32 1.400(4) .
C28 C29 1.388(4) .
C28 H28 0.9300 .
C29 C30 1.382(4) .
C29 H29 0.9300 .
C30 C31 1.369(5) .
C30 H30 0.9300 .
C31 C32 1.381(4) .
C31 H31 0.9300 .
C32 H32 0.9300 .
C33 C34 1.389(4) .
C33 C38 1.399(4) .
C34 C35 1.389(4) .
C34 H34 0.9300 .
C35 C36 1.378(5) .
C35 H35 0.9300 .
C36 C37 1.380(5) .
C36 H36 0.9300 .
C37 C38 1.378(4) .
C37 H37 0.9300 .
C38 H38 0.9300 .
C39 C44 1.393(4) .
C39 C40 1.398(4) .
C40 C41 1.383(4) .
C40 H40 0.9300 .
C41 C42 1.389(4) .
C41 H41 0.9300 .
C42 C43 1.376(4) .
C42 H42 0.9300 .
C43 C44 1.384(4) .
C43 H43 0.9300 .
C44 H44 0.9300 .
C45 C46 1.387(4) .
C45 C50 1.407(4) .
C46 C47 1.384(4) .
C46 H46 0.9300 .
C47 C48 1.384(4) .
C47 H47 0.9300 .
C48 C49 1.375(5) .
C48 H48 0.9300 .
C49 C50 1.375(4) .
C49 H49 0.9300 .
C50 H50 0.9300 .
C51 C52 1.394(4) .
C51 C56 1.399(4) .
C52 C53 1.384(4) .
C52 H52 0.9300 .
C53 C54 1.376(4) .
C53 H53 0.9300 .
C54 C55 1.376(4) .
C54 H54 0.9300 .
C55 C56 1.385(4) .
C55 H55 0.9300 .
C56 H56 0.9300 .
