#------------------------------------------------------------------------------
#$Date: 2023-02-02 11:09:07 +0200 (Thu, 02 Feb 2023) $
#$Revision: 280753 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/66/8106663.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_8106663
loop_
_publ_author_name
'Zhao, Ganlin'
_publ_section_title
;
 Crystal structure of bis(μ 3-2,2′-azanediylbis(ethan-1-olato)-κ5
 O:O,N,O′:O′)-tetrachlorido-bis(μ
 2-2-((2-hydroxyethyl)amino)ethan-1-olato-κ3
 N,O:O)dicobalt(II)dicobalt(III), C16H38Cl4Co4N4O8
;
_journal_issue                   5
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              745
_journal_page_last               747
_journal_paper_doi               10.1515/ncrs-2017-0005
_journal_volume                  232
_journal_year                    2017
_chemical_formula_moiety         'C16 H38 Cl4 Co4 N4 O8'
_chemical_formula_sum            'C16 H38 Cl4 Co4 N4 O8'
_chemical_formula_weight         792.02
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 111.385(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.070(3)
_cell_length_b                   15.201(5)
_cell_length_c                   20.786(6)
_cell_measurement_reflns_used    9954
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.51
_cell_measurement_theta_min      2.41
_cell_volume                     2668.5(15)
_computing_cell_refinement       APEX2-2005
_computing_data_collection       APEX2-2005
_computing_data_reduction        'SAINT-2005 '
_computing_molecular_graphics    'SHELXTL-2008 [18]'
_computing_publication_material  'SHELXTL-2008 [18]'
_computing_structure_refinement  'SHELXTL-2008 [18]'
_computing_structure_solution    'SHELXTL-2008 [18]'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and 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  0.0648
_diffrn_reflns_av_sigmaI/netI    0.0377
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            31371
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    2.893
_exptl_absorpt_correction_T_max  0.6708
_exptl_absorpt_correction_T_min  0.5954
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2005)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.971
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1608
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.014
_refine_diff_density_min         -1.037
_refine_diff_density_rms         0.223
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     321
_refine_ls_number_reflns         4718
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0758
_refine_ls_R_factor_gt           0.0646
_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)+(0.0937P)²+24.8773P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1684
_refine_ls_wR_factor_ref         0.1743
_reflns_number_gt                3958
_reflns_number_total             4718
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            suppl_ncrs-2017-0005_suppl.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value ' Monoclinic' was changed to
'monoclinic' 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_original_sg_symbol_Hall     '-P 2ybc '
_cod_original_sg_symbol_H-M      ' P 21/c'
_cod_database_code               8106663
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.2209(9) 0.0686(5) 0.3228(4) 0.0269(16) Uani 1 1 d . . .
H1A H 0.1265 0.0392 0.2921 0.032 Uiso 1 1 calc R . .
H1B H 0.2935 0.0243 0.3505 0.032 Uiso 1 1 calc R . .
C2 C 0.1794(8) 0.1307(5) 0.3678(4) 0.0226(15) Uani 1 1 d . . .
H2A H 0.0880 0.1652 0.3406 0.027 Uiso 1 1 calc R . .
H2B H 0.1525 0.0984 0.4023 0.027 Uiso 1 1 calc R . .
C3 C 0.3751(9) 0.0587(6) 0.2474(4) 0.0325(18) Uani 1 1 d . . .
H3A H 0.4804 0.0454 0.2800 0.039 Uiso 1 1 calc R . .
H3B H 0.3160 0.0040 0.2372 0.039 Uiso 1 1 calc R . .
C4 C 0.3896(10) 0.0911(6) 0.1829(4) 0.039(2) Uani 1 1 d . . .
H4A H 0.4495 0.1456 0.1917 0.047 Uiso 1 1 calc R . .
H4B H 0.4452 0.0482 0.1656 0.047 Uiso 1 1 calc R . .
C5 C 0.9019(9) 0.3882(5) 0.4864(4) 0.0275(16) Uani 1 1 d . . .
H5A H 0.8233 0.4307 0.4601 0.033 Uiso 1 1 calc R . .
H5B H 0.9936 0.4199 0.5169 0.033 Uiso 1 1 calc R . .
C6 C 0.9479(8) 0.3307(5) 0.4391(4) 0.0239(15) Uani 1 1 d . . .
H6A H 0.9640 0.3658 0.4032 0.029 Uiso 1 1 calc R . .
H6B H 1.0461 0.3004 0.4645 0.029 Uiso 1 1 calc R . .
C7 C 0.7657(9) 0.3812(5) 0.5713(4) 0.0317(18) Uani 1 1 d . . .
H7A H 0.6893 0.3444 0.5813 0.038 Uiso 1 1 calc R . .
H7B H 0.7104 0.4324 0.5461 0.038 Uiso 1 1 calc R . .
C8 C 0.8945(11) 0.4107(6) 0.6394(4) 0.039(2) Uani 1 1 d . . .
H8A H 0.9696 0.4488 0.6297 0.047 Uiso 1 1 calc R . .
H8B H 0.8467 0.4435 0.6668 0.047 Uiso 1 1 calc R . .
C9 C 0.8486(8) 0.1319(5) 0.5822(4) 0.0219(15) Uani 1 1 d . . .
H9A H 0.9085 0.1773 0.6137 0.026 Uiso 1 1 calc R . .
H9B H 0.8914 0.0751 0.6013 0.026 Uiso 1 1 calc R . .
C10 C 0.6743(7) 0.1376(5) 0.5731(3) 0.0193(14) Uani 1 1 d . . .
H10A H 0.6216 0.0823 0.5558 0.023 Uiso 1 1 calc R . .
H10B H 0.6640 0.1502 0.6170 0.023 Uiso 1 1 calc R . .
C11 C 0.8162(8) 0.0642(4) 0.4685(4) 0.0227(15) Uani 1 1 d . . .
H11A H 0.8396 0.0119 0.4972 0.027 Uiso 1 1 calc R . .
H11B H 0.8785 0.0619 0.4392 0.027 Uiso 1 1 calc R . .
C12 C 0.6396(8) 0.0658(4) 0.4234(4) 0.0215(14) Uani 1 1 d . . .
H12A H 0.6155 0.0218 0.3872 0.026 Uiso 1 1 calc R . .
H12B H 0.5756 0.0545 0.4510 0.026 Uiso 1 1 calc R . .
C13 C 0.2816(8) 0.3188(5) 0.2248(4) 0.0256(16) Uani 1 1 d . . .
H13A H 0.2366 0.3749 0.2049 0.031 Uiso 1 1 calc R . .
H13B H 0.2229 0.2723 0.1942 0.031 Uiso 1 1 calc R . .
C14 C 0.4536(8) 0.3147(5) 0.2333(4) 0.0233(15) Uani 1 1 d . . .
H14A H 0.4637 0.3001 0.1897 0.028 Uiso 1 1 calc R . .
H14B H 0.5042 0.3711 0.2488 0.028 Uiso 1 1 calc R . .
C15 C 0.3174(8) 0.3891(5) 0.3385(4) 0.0245(15) Uani 1 1 d . . .
H15A H 0.2546 0.3929 0.3675 0.029 Uiso 1 1 calc R . .
H15B H 0.2962 0.4410 0.3094 0.029 Uiso 1 1 calc R . .
C16 C 0.4943(8) 0.3861(5) 0.3842(4) 0.0221(15) Uani 1 1 d . . .
H16A H 0.5591 0.3960 0.3567 0.026 Uiso 1 1 calc R . .
H16B H 0.5192 0.4306 0.4200 0.026 Uiso 1 1 calc R . .
Cl1 Cl 0.3447(2) 0.38910(11) 0.51187(10) 0.0271(4) Uani 1 1 d . . .
Cl2 Cl 0.25233(19) 0.16641(11) 0.54815(8) 0.0212(4) Uani 1 1 d . . .
Cl3 Cl 0.7952(2) 0.07337(12) 0.29209(10) 0.0280(4) Uani 1 1 d . . .
Cl4 Cl 0.8692(2) 0.30582(13) 0.26128(9) 0.0265(4) Uani 1 1 d . . .
Co1 Co 0.41717(10) 0.21633(6) 0.34264(4) 0.0144(2) Uani 1 1 d . . .
Co2 Co 0.71356(9) 0.23657(6) 0.46548(4) 0.0130(2) Uani 1 1 d . . .
Co3 Co 0.38507(10) 0.24570(6) 0.48920(5) 0.0157(2) Uani 1 1 d . . .
Co4 Co 0.74714(10) 0.21329(6) 0.31869(5) 0.0188(3) Uani 1 1 d . . .
N1 N 0.2966(6) 0.1196(4) 0.2818(3) 0.0201(12) Uani 1 1 d . . .
H1 H 0.2160 0.1459 0.2472 0.024 Uiso 1 1 calc R . .
N2 N 0.8355(6) 0.3309(4) 0.5274(3) 0.0187(12) Uani 1 1 d . . .
H2C H 0.9211 0.3032 0.5581 0.022 Uiso 1 1 calc R . .
N3 N 0.8600(7) 0.1439(4) 0.5130(3) 0.020 Uani 1 1 d . . .
H3 H 0.9603 0.1604 0.5185 0.024 Uiso 1 1 calc R . .
N4 N 0.2712(6) 0.3082(4) 0.2941(3) 0.0188(12) Uani 1 1 d . . .
H4C H 0.1709 0.2922 0.2891 0.023 Uiso 1 1 calc R . .
O1 O 0.3081(5) 0.1866(3) 0.4005(2) 0.0184(10) Uani 1 1 d . . .
O2 O 0.2366(8) 0.1053(7) 0.1337(4) 0.073(3) Uani 1 1 d . . .
H2 H 0.2283 0.0808 0.0974 0.109 Uiso 1 1 calc R . .
O3 O 0.8241(5) 0.2680(3) 0.4087(2) 0.0183(10) Uani 1 1 d . . .
O4 O 0.9745(7) 0.3354(4) 0.6770(3) 0.0391(14) Uani 1 1 d . . .
H4 H 0.9165 0.3097 0.6932 0.059 Uiso 1 1 calc R . .
O5 O 0.6056(5) 0.2062(3) 0.5252(2) 0.0171(10) Uani 1 1 d . . .
O6 O 0.6103(5) 0.1521(3) 0.3945(2) 0.0155(9) Uani 1 1 d . . .
O7 O 0.5259(5) 0.2478(3) 0.2838(2) 0.0173(10) Uani 1 1 d . . .
O8 O 0.5214(5) 0.3005(3) 0.4138(2) 0.0153(9) Uani 1 1 d . . .
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'
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
C2 C1 N1 107.9(6) . .
C2 C1 H1A 110.1 . .
N1 C1 H1A 110.1 . .
C2 C1 H1B 110.1 . .
N1 C1 H1B 110.1 . .
H1A C1 H1B 108.4 . .
O1 C2 C1 109.6(6) . .
O1 C2 H2A 109.8 . .
C1 C2 H2A 109.8 . .
O1 C2 H2B 109.8 . .
C1 C2 H2B 109.8 . .
H2A C2 H2B 108.2 . .
C4 C3 N1 116.3(7) . .
C4 C3 H3A 108.2 . .
N1 C3 H3A 108.2 . .
C4 C3 H3B 108.2 . .
N1 C3 H3B 108.2 . .
H3A C3 H3B 107.4 . .
O2 C4 C3 108.6(7) . .
O2 C4 H4A 110.0 . .
C3 C4 H4A 110.0 . .
O2 C4 H4B 110.0 . .
C3 C4 H4B 110.0 . .
H4A C4 H4B 108.3 . .
C6 C5 N2 107.7(6) . .
C6 C5 H5A 110.2 . .
N2 C5 H5A 110.2 . .
C6 C5 H5B 110.2 . .
N2 C5 H5B 110.2 . .
H5A C5 H5B 108.5 . .
O3 C6 C5 108.6(5) . .
O3 C6 H6A 110.0 . .
C5 C6 H6A 110.0 . .
O3 C6 H6B 110.0 . .
C5 C6 H6B 110.0 . .
H6A C6 H6B 108.4 . .
N2 C7 C8 111.2(6) . .
N2 C7 H7A 109.4 . .
C8 C7 H7A 109.4 . .
N2 C7 H7B 109.4 . .
C8 C7 H7B 109.4 . .
H7A C7 H7B 108.0 . .
O4 C8 C7 109.6(7) . .
O4 C8 H8A 109.8 . .
C7 C8 H8A 109.8 . .
O4 C8 H8B 109.8 . .
C7 C8 H8B 109.8 . .
H8A C8 H8B 108.2 . .
N3 C9 C10 107.8(5) . .
N3 C9 H9A 110.1 . .
C10 C9 H9A 110.1 . .
N3 C9 H9B 110.1 . .
C10 C9 H9B 110.1 . .
H9A C9 H9B 108.5 . .
O5 C10 C9 107.4(5) . .
O5 C10 H10A 110.2 . .
C9 C10 H10A 110.2 . .
O5 C10 H10B 110.2 . .
C9 C10 H10B 110.2 . .
H10A C10 H10B 108.5 . .
N3 C11 C12 110.4(5) . .
N3 C11 H11A 109.6 . .
C12 C11 H11A 109.6 . .
N3 C11 H11B 109.6 . .
C12 C11 H11B 109.6 . .
H11A C11 H11B 108.1 . .
O6 C12 C11 105.4(5) . .
O6 C12 H12A 110.7 . .
C11 C12 H12A 110.7 . .
O6 C12 H12B 110.7 . .
C11 C12 H12B 110.7 . .
H12A C12 H12B 108.8 . .
N4 C13 C14 108.1(5) . .
N4 C13 H13A 110.1 . .
C14 C13 H13A 110.1 . .
N4 C13 H13B 110.1 . .
C14 C13 H13B 110.1 . .
H13A C13 H13B 108.4 . .
O7 C14 C13 107.0(5) . .
O7 C14 H14A 110.3 . .
C13 C14 H14A 110.3 . .
O7 C14 H14B 110.3 . .
C13 C14 H14B 110.3 . .
H14A C14 H14B 108.6 . .
N4 C15 C16 110.5(6) . .
N4 C15 H15A 109.6 . .
C16 C15 H15A 109.6 . .
N4 C15 H15B 109.6 . .
C16 C15 H15B 109.6 . .
H15A C15 H15B 108.1 . .
O8 C16 C15 105.8(5) . .
O8 C16 H16A 110.6 . .
C15 C16 H16A 110.6 . .
O8 C16 H16B 110.6 . .
C15 C16 H16B 110.6 . .
H16A C16 H16B 108.7 . .
O1 Co1 O7 179.3(2) . .
O1 Co1 O8 83.90(19) . .
O7 Co1 O8 95.90(19) . .
O1 Co1 N4 95.0(2) . .
O7 Co1 N4 84.3(2) . .
O8 Co1 N4 88.4(2) . .
O1 Co1 O6 95.89(19) . .
O7 Co1 O6 84.78(19) . .
O8 Co1 O6 79.48(18) . .
N4 Co1 O6 162.7(2) . .
O1 Co1 N1 86.1(2) . .
O7 Co1 N1 94.1(2) . .
O8 Co1 N1 169.7(2) . .
N4 Co1 N1 95.1(2) . .
O6 Co1 N1 99.0(2) . .
O3 Co2 O5 178.4(2) . .
O3 Co2 O6 84.84(19) . .
O5 Co2 O6 96.70(19) . .
O3 Co2 N3 94.7(2) . .
O5 Co2 N3 84.9(2) . .
O6 Co2 N3 87.6(2) . .
O3 Co2 O8 95.9(2) . .
O5 Co2 O8 84.89(18) . .
O6 Co2 O8 79.73(18) . .
N3 Co2 O8 162.6(2) . .
O3 Co2 N2 85.6(2) . .
O5 Co2 N2 92.9(2) . .
O6 Co2 N2 170.3(2) . .
N3 Co2 N2 94.5(2) . .
O8 Co2 N2 100.0(2) . .
O1 Co3 O5 100.66(19) . .
O1 Co3 Cl1 127.49(16) . .
O5 Co3 Cl1 115.55(15) . .
O1 Co3 Cl2 100.60(14) . .
O5 Co3 Cl2 106.90(14) . .
Cl1 Co3 Cl2 103.38(7) . .
O3 Co4 O7 101.8(2) . .
O3 Co4 Cl3 127.13(15) . .
O7 Co4 Cl3 115.14(15) . .
O3 Co4 Cl4 99.35(14) . .
O7 Co4 Cl4 105.16(14) . .
Cl3 Co4 Cl4 105.45(7) . .
C1 N1 C3 110.4(6) . .
C1 N1 Co1 106.4(4) . .
C3 N1 Co1 120.9(4) . .
C1 N1 H1 106.0 . .
C3 N1 H1 106.0 . .
Co1 N1 H1 106.0 . .
C5 N2 C7 113.6(6) . .
C5 N2 Co2 107.4(4) . .
C7 N2 Co2 120.5(4) . .
C5 N2 H2C 104.6 . .
C7 N2 H2C 104.6 . .
Co2 N2 H2C 104.6 . .
C11 N3 C9 113.8(5) . .
C11 N3 Co2 107.2(4) . .
C9 N3 Co2 107.7(4) . .
C11 N3 H3 109.3 . .
C9 N3 H3 109.3 . .
Co2 N3 H3 109.3 . .
C13 N4 C15 113.8(6) . .
C13 N4 Co1 108.1(4) . .
C15 N4 Co1 106.6(4) . .
C13 N4 H4C 109.4 . .
C15 N4 H4C 109.4 . .
Co1 N4 H4C 109.4 . .
C2 O1 Co1 112.2(4) . .
C2 O1 Co3 133.5(4) . .
Co1 O1 Co3 114.1(2) . .
C4 O2 H2 109.5 . .
C6 O3 Co2 114.1(4) . .
C6 O3 Co4 131.4(4) . .
Co2 O3 Co4 114.5(2) . .
C8 O4 H4 109.5 . .
C10 O5 Co2 116.0(4) . .
C10 O5 Co3 128.3(4) . .
Co2 O5 Co3 112.0(2) . .
C12 O6 Co2 109.1(4) . .
C12 O6 Co1 133.2(4) . .
Co2 O6 Co1 100.2(2) . .
C14 O7 Co1 116.4(4) . .
C14 O7 Co4 126.7(4) . .
Co1 O7 Co4 113.7(2) . .
C16 O8 Co1 108.5(4) . .
C16 O8 Co2 132.6(4) . .
Co1 O8 Co2 100.5(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.471(10) .
C1 N1 1.492(9) .
C1 H1A 0.9700 .
C1 H1B 0.9700 .
C2 O1 1.403(8) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 C4 1.478(12) .
C3 N1 1.500(9) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 O2 1.409(11) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 C6 1.485(10) .
C5 N2 1.490(9) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C6 O3 1.431(8) .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 N2 1.496(9) .
C7 C8 1.538(11) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 O4 1.426(10) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 N3 1.491(9) .
C9 C10 1.524(9) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 O5 1.419(8) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 N3 1.488(9) .
C11 C12 1.533(9) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 O6 1.427(8) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 N4 1.487(9) .
C13 C14 1.506(10) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 O7 1.438(8) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 N4 1.502(9) .
C15 C16 1.538(10) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 O8 1.422(8) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
Cl1 Co3 2.288(2) .
Cl2 Co3 2.3408(18) .
Cl3 Co4 2.279(2) .
Cl4 Co4 2.3647(19) .
Co1 O1 1.869(4) .
Co1 O7 1.891(4) .
Co1 O8 1.923(4) .
Co1 N4 1.935(5) .
Co1 O6 1.951(4) .
Co1 N1 1.986(6) .
Co2 O3 1.868(4) .
Co2 O5 1.898(4) .
Co2 O6 1.922(4) .
Co2 N3 1.941(6) .
Co2 O8 1.942(4) .
Co2 N2 1.974(6) .
Co3 O1 1.939(5) .
Co3 O5 1.957(4) .
Co4 O3 1.931(5) .
Co4 O7 1.941(5) .
N1 H1 0.9100 .
N2 H2C 0.9100 .
N3 H3 0.9100 .
N4 H4C 0.9100 .
O2 H2 0.8200 .
O4 H4 0.8200 .
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
N3 H3 Cl2 0.91 2.49 3.379(6) 164.7 1_655
N4 H4C Cl4 0.91 2.59 3.456(6) 159.1 1_455
N1 H1 O4 0.91 2.16 3.017(8) 156.2 4_465
O4 H4 Cl4 0.82 2.39 3.132(6) 150.9 4_566
O2 H2 Cl1 0.82 2.42 3.032(7) 132.2 4_565
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
N1 C1 C2 O1 -46.5(8) . . . .
N1 C3 C4 O2 -61.7(10) . . . .
N2 C5 C6 O3 44.0(7) . . . .
N2 C7 C8 O4 -59.9(9) . . . .
N3 C9 C10 O5 -40.4(7) . . . .
N3 C11 C12 O6 47.3(7) . . . .
N4 C13 C14 O7 39.3(8) . . . .
N4 C15 C16 O8 -47.2(7) . . . .
C2 C1 N1 C3 166.9(6) . . . .
C2 C1 N1 Co1 34.0(6) . . . .
C4 C3 N1 C1 152.9(7) . . . .
C4 C3 N1 Co1 -82.0(8) . . . .
O1 Co1 N1 C1 -12.2(4) . . . .
O7 Co1 N1 C1 168.5(4) . . . .
O8 Co1 N1 C1 2.5(14) . . . .
N4 Co1 N1 C1 -106.9(5) . . . .
O6 Co1 N1 C1 83.2(4) . . . .
O1 Co1 N1 C3 -139.1(5) . . . .
O7 Co1 N1 C3 41.6(5) . . . .
O8 Co1 N1 C3 -124.4(11) . . . .
N4 Co1 N1 C3 126.2(5) . . . .
O6 Co1 N1 C3 -43.8(5) . . . .
C6 C5 N2 C7 -172.9(6) . . . .
C6 C5 N2 Co2 -37.1(6) . . . .
C8 C7 N2 C5 -82.0(8) . . . .
C8 C7 N2 Co2 148.5(5) . . . .
O3 Co2 N2 C5 17.0(4) . . . .
O5 Co2 N2 C5 -163.5(4) . . . .
N3 Co2 N2 C5 111.4(5) . . . .
O8 Co2 N2 C5 -78.2(5) . . . .
O3 Co2 N2 C7 149.1(5) . . . .
O5 Co2 N2 C7 -31.4(5) . . . .
N3 Co2 N2 C7 -116.5(5) . . . .
O8 Co2 N2 C7 53.9(5) . . . .
C12 C11 N3 C9 91.7(7) . . . .
C12 C11 N3 Co2 -27.3(6) . . . .
C10 C9 N3 C11 -77.8(7) . . . .
C10 C9 N3 Co2 41.0(6) . . . .
O3 Co2 N3 C11 -82.4(4) . . . .
O5 Co2 N3 C11 99.2(4) . . . .
O6 Co2 N3 C11 2.2(4) . . . .
O8 Co2 N3 C11 45.0(9) . . . .
N2 Co2 N3 C11 -168.4(4) . . . .
O3 Co2 N3 C9 154.7(4) . . . .
O5 Co2 N3 C9 -23.8(4) . . . .
O6 Co2 N3 C9 -120.7(4) . . . .
O8 Co2 N3 C9 -77.9(9) . . . .
N2 Co2 N3 C9 68.7(4) . . . .
C14 C13 N4 C15 76.1(7) . . . .
C14 C13 N4 Co1 -42.1(7) . . . .
C16 C15 N4 C13 -92.7(6) . . . .
C16 C15 N4 Co1 26.4(6) . . . .
O1 Co1 N4 C13 -154.9(4) . . . .
O7 Co1 N4 C13 25.2(4) . . . .
O8 Co1 N4 C13 121.3(4) . . . .
O6 Co1 N4 C13 76.1(9) . . . .
N1 Co1 N4 C13 -68.4(5) . . . .
O1 Co1 N4 C15 82.4(4) . . . .
O7 Co1 N4 C15 -97.4(4) . . . .
O8 Co1 N4 C15 -1.3(4) . . . .
O6 Co1 N4 C15 -46.5(9) . . . .
N1 Co1 N4 C15 168.9(4) . . . .
C1 C2 O1 Co1 36.8(7) . . . .
C1 C2 O1 Co3 -148.9(5) . . . .
O8 Co1 O1 C2 169.2(5) . . . .
N4 Co1 O1 C2 81.3(5) . . . .
O6 Co1 O1 C2 -112.1(4) . . . .
N1 Co1 O1 C2 -13.4(4) . . . .
O8 Co1 O1 Co3 -6.3(2) . . . .
N4 Co1 O1 Co3 -94.2(3) . . . .
O6 Co1 O1 Co3 72.4(3) . . . .
N1 Co1 O1 Co3 171.1(3) . . . .
O5 Co3 O1 C2 126.7(6) . . . .
Cl1 Co3 O1 C2 -99.1(6) . . . .
Cl2 Co3 O1 C2 17.1(6) . . . .
O5 Co3 O1 Co1 -59.0(3) . . . .
Cl1 Co3 O1 Co1 75.2(3) . . . .
Cl2 Co3 O1 Co1 -168.7(2) . . . .
C5 C6 O3 Co2 -30.9(7) . . . .
C5 C6 O3 Co4 146.9(5) . . . .
O6 Co2 O3 C6 -173.6(5) . . . .
N3 Co2 O3 C6 -86.4(5) . . . .
O8 Co2 O3 C6 107.3(5) . . . .
N2 Co2 O3 C6 7.7(5) . . . .
O6 Co2 O3 Co4 8.3(2) . . . .
N3 Co2 O3 Co4 95.4(3) . . . .
O8 Co2 O3 Co4 -70.8(3) . . . .
N2 Co2 O3 Co4 -170.4(3) . . . .
O7 Co4 O3 C6 -121.9(6) . . . .
Cl3 Co4 O3 C6 103.5(6) . . . .
Cl4 Co4 O3 C6 -14.1(6) . . . .
O7 Co4 O3 Co2 55.9(3) . . . .
Cl3 Co4 O3 Co2 -78.8(3) . . . .
Cl4 Co4 O3 Co2 163.6(2) . . . .
C9 C10 O5 Co2 22.0(7) . . . .
C9 C10 O5 Co3 178.4(4) . . . .
O6 Co2 O5 C10 87.6(4) . . . .
N3 Co2 O5 C10 0.7(4) . . . .
O8 Co2 O5 C10 166.6(4) . . . .
N2 Co2 O5 C10 -93.6(4) . . . .
O6 Co2 O5 Co3 -72.5(2) . . . .
N3 Co2 O5 Co3 -159.5(3) . . . .
O8 Co2 O5 Co3 6.5(2) . . . .
N2 Co2 O5 Co3 106.2(3) . . . .
O1 Co3 O5 C10 -99.4(5) . . . .
Cl1 Co3 O5 C10 119.7(5) . . . .
Cl2 Co3 O5 C10 5.3(5) . . . .
O1 Co3 O5 Co2 57.7(3) . . . .
Cl1 Co3 O5 Co2 -83.2(2) . . . .
Cl2 Co3 O5 Co2 162.38(17) . . . .
C11 C12 O6 Co2 -44.2(6) . . . .
C11 C12 O6 Co1 -169.9(4) . . . .
O3 Co2 O6 C12 120.0(4) . . . .
O5 Co2 O6 C12 -59.5(4) . . . .
N3 Co2 O6 C12 25.0(4) . . . .
O8 Co2 O6 C12 -143.1(4) . . . .
O3 Co2 O6 Co1 -97.0(2) . . . .
O5 Co2 O6 Co1 83.5(2) . . . .
N3 Co2 O6 Co1 168.0(2) . . . .
O8 Co2 O6 Co1 -0.06(18) . . . .
O1 Co1 O6 C12 46.2(6) . . . .
O7 Co1 O6 C12 -134.2(6) . . . .
O8 Co1 O6 C12 128.8(6) . . . .
N4 Co1 O6 C12 175.0(7) . . . .
N1 Co1 O6 C12 -40.8(6) . . . .
O1 Co1 O6 Co2 -82.6(2) . . . .
O7 Co1 O6 Co2 97.1(2) . . . .
O8 Co1 O6 Co2 0.06(18) . . . .
N4 Co1 O6 Co2 46.2(8) . . . .
N1 Co1 O6 Co2 -169.6(2) . . . .
C13 C14 O7 Co1 -19.8(7) . . . .
C13 C14 O7 Co4 -178.5(4) . . . .
O8 Co1 O7 C14 -90.7(5) . . . .
N4 Co1 O7 C14 -2.9(5) . . . .
O6 Co1 O7 C14 -169.5(5) . . . .
N1 Co1 O7 C14 91.8(5) . . . .
O8 Co1 O7 Co4 70.8(3) . . . .
N4 Co1 O7 Co4 158.5(3) . . . .
O6 Co1 O7 Co4 -8.1(2) . . . .
N1 Co1 O7 Co4 -106.8(3) . . . .
O3 Co4 O7 C14 103.9(5) . . . .
Cl3 Co4 O7 C14 -114.9(5) . . . .
Cl4 Co4 O7 C14 0.7(5) . . . .
O3 Co4 O7 Co1 -55.3(3) . . . .
Cl3 Co4 O7 Co1 85.9(2) . . . .
Cl4 Co4 O7 Co1 -158.49(19) . . . .
C15 C16 O8 Co1 44.6(6) . . . .
C15 C16 O8 Co2 169.2(4) . . . .
O1 Co1 O8 C16 -120.9(4) . . . .
O7 Co1 O8 C16 58.3(4) . . . .
N4 Co1 O8 C16 -25.7(4) . . . .
O6 Co1 O8 C16 141.9(4) . . . .
N1 Co1 O8 C16 -135.7(11) . . . .
O1 Co1 O8 Co2 97.1(2) . . . .
O7 Co1 O8 Co2 -83.6(2) . . . .
N4 Co1 O8 Co2 -167.7(2) . . . .
O6 Co1 O8 Co2 -0.06(18) . . . .
N1 Co1 O8 Co2 82.4(12) . . . .
O3 Co2 O8 C16 -43.8(6) . . . .
O5 Co2 O8 C16 134.8(6) . . . .
O6 Co2 O8 C16 -127.4(6) . . . .
N3 Co2 O8 C16 -171.1(7) . . . .
N2 Co2 O8 C16 42.8(6) . . . .
O3 Co2 O8 Co1 83.7(2) . . . .
O5 Co2 O8 Co1 -97.7(2) . . . .
O6 Co2 O8 Co1 0.06(18) . . . .
N3 Co2 O8 Co1 -43.6(8) . . . .
N2 Co2 O8 Co1 170.3(2) . . . .
