#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/53/7015317.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_7015317
loop_
_publ_author_name
'Tandon, Santokh S.'
'Dul, Marie-Claire'
'Lee, John L.'
'Dawe, Louise N.'
'Anwar, Muhammad U.'
'Thompson, Laurence K.'
_publ_section_title
;
 Complexes of ditopic carbo- and thio-carbohydrazone
 ligands--mononuclear, 1D chain, dinuclear and tetranuclear examples.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3466
_journal_page_last               3475
_journal_paper_doi               10.1039/c0dt01487g
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety
'[(C12 H14 O2 N6)2 Co2 (C H3 O)](Cl O4) (H2 O)1.8'
_chemical_formula_sum            'C25 H34.6 Cl Co2 N12 O10.8'
_chemical_formula_weight         829.34
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 111.443(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   28.548(9)
_cell_length_b                   16.552(5)
_cell_length_c                   16.073(5)
_cell_measurement_reflns_used    13615
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      30.8409
_cell_measurement_theta_min      2.1720
_cell_volume                     7069(4)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_molecular_graphics    'CrystalStructure3.7.0(Rigaku/MSC Inc.,2005)'
_computing_publication_material  'CrystalStructure3.7.0(Rigaku/MSC Inc.,2005)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  'Rigaku SHINE'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0704
_diffrn_reflns_av_sigmaI/netI    0.0458
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            46312
_diffrn_reflns_theta_full        26.50
_diffrn_reflns_theta_max         26.50
_diffrn_reflns_theta_min         2.52
_exptl_absorpt_coefficient_mu    1.086
_exptl_absorpt_correction_T_max  0.9772
_exptl_absorpt_correction_T_min  0.8870
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(T. Higashi, 2000)'
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.558
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             3408
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.356
_refine_diff_density_min         -1.339
_refine_diff_density_rms         0.148
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.196
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     467
_refine_ls_number_reflns         7297
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.196
_refine_ls_R_factor_all          0.1113
_refine_ls_R_factor_gt           0.1033
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1251P)²+61.7391P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2672
_refine_ls_wR_factor_ref         0.2746
_reflns_number_gt                6660
_reflns_number_total             7297
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt01487g.txt
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Numerical' changed to 'numerical'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_formula_sum        'C25 H34.60 Cl Co2 N12 O10.80'
_cod_database_code               7015317
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
Co1 Co 0.13088(3) 0.01865(5) 0.73604(5) 0.0289(3) Uani 1 1 d . . .
Co2 Co 0.22709(3) 0.12180(5) 0.82516(5) 0.0296(3) Uani 1 1 d . . .
Cl1 Cl 0.35614(14) 0.12722(18) 0.6004(2) 0.0878(9) Uani 1 1 d . . .
O1 O 0.22494(19) -0.0156(3) 0.6146(3) 0.0440(12) Uani 1 1 d . . .
O2 O 0.27633(18) 0.2745(3) 0.8558(3) 0.0398(11) Uani 1 1 d . . .
O3 O 0.13098(18) 0.1787(3) 0.9392(3) 0.0410(11) Uani 1 1 d . . .
O4 O 0.04191(17) -0.0109(3) 0.5899(3) 0.0366(10) Uani 1 1 d . . .
O5 O 0.19983(16) 0.0137(3) 0.8269(3) 0.0315(9) Uani 1 1 d . . .
O6 O 0.3316(6) 0.0565(8) 0.6002(9) 0.159(6) Uani 1 1 d . . .
O7 O 0.3612(5) 0.1381(7) 0.5162(7) 0.130(4) Uani 1 1 d . . .
O8 O 0.3288(5) 0.1910(7) 0.6178(8) 0.132(4) Uani 1 1 d . . .
O9 O 0.4056(5) 0.1245(7) 0.6711(8) 0.144(5) Uani 1 1 d . . .
O10 O 0.0303(4) 0.3620(6) 0.4499(10) 0.073(4) Uani 0.60 1 d P A 1
O12 O 0.0516(10) 0.4609(16) 0.7877(17) 0.139(8) Uiso 0.50 1 d P B 1
O11 O 0.0459(9) 0.3168(11) 0.4980(15) 0.089(7) Uani 0.40 1 d P C 2
O13 O 0.0000 0.449(3) 0.7500 0.191(17) Uiso 0.50 2 d SP D 2
N1 N 0.09708(19) -0.0416(3) 0.8012(3) 0.0313(11) Uani 1 1 d . . .
N2 N 0.1352(2) -0.0847(3) 0.6914(3) 0.0326(11) Uani 1 1 d . . .
N3 N 0.1617(2) -0.0872(3) 0.6353(4) 0.0409(13) Uani 1 1 d . . .
H8 H 0.1775 -0.1280 0.6366 0.083 Uiso 1 1 d . . .
N4 N 0.1657(2) 0.0495(3) 0.6603(3) 0.0323(11) Uani 1 1 d . . .
N5 N 0.1998(2) 0.1129(3) 0.6992(3) 0.0305(11) Uani 1 1 d . . .
N6 N 0.2483(2) 0.2236(3) 0.7966(3) 0.0333(11) Uani 1 1 d . . .
N7 N 0.2951(2) 0.0811(3) 0.8528(4) 0.0355(12) Uani 1 1 d . . .
N8 N 0.2513(2) 0.1398(3) 0.9491(3) 0.0331(11) Uani 1 1 d . . .
N9 N 0.2163(2) 0.1720(3) 0.9783(3) 0.0333(12) Uani 1 1 d . . .
H22 H 0.2218 0.1769 1.0304 0.057 Uiso 1 1 d . . .
N10 N 0.1662(2) 0.1640(3) 0.8304(3) 0.0309(11) Uani 1 1 d . . .
N11 N 0.1239(2) 0.1240(3) 0.7705(4) 0.0325(11) Uani 1 1 d . . .
N12 N 0.0668(2) 0.0416(3) 0.6467(3) 0.0331(11) Uani 1 1 d . . .
C1 C 0.0813(3) -0.0144(4) 0.8646(5) 0.0369(14) Uani 1 1 d . . .
H1 H 0.0859 0.0410 0.8809 0.044 Uiso 1 1 calc R . .
C2 C 0.0583(3) -0.0645(5) 0.9075(5) 0.0439(16) Uani 1 1 d . . .
H2 H 0.0483 -0.0442 0.9537 0.053 Uiso 1 1 calc R . .
C3 C 0.0503(3) -0.1446(5) 0.8815(5) 0.0461(17) Uani 1 1 d . . .
H3 H 0.0334 -0.1798 0.9080 0.055 Uiso 1 1 calc R . .
C4 C 0.0675(3) -0.1734(4) 0.8157(5) 0.0411(15) Uani 1 1 d . . .
H4 H 0.0634 -0.2287 0.7985 0.049 Uiso 1 1 calc R . .
C5 C 0.0904(2) -0.1203(4) 0.7761(4) 0.0340(14) Uani 1 1 d . . .
C6 C 0.1121(3) -0.1439(4) 0.7095(4) 0.0349(14) Uani 1 1 d . . .
C7 C 0.1085(3) -0.2258(4) 0.6709(6) 0.0503(19) Uani 1 1 d . . .
H5 H 0.0746 -0.2474 0.6583 0.060 Uiso 1 1 calc R . .
H6 H 0.1333 -0.2612 0.7135 0.060 Uiso 1 1 calc R . .
H7 H 0.1151 -0.2231 0.6153 0.060 Uiso 1 1 calc R . .
C8 C 0.1888(3) -0.0157(4) 0.6366(4) 0.0383(15) Uani 1 1 d . . .
C9 C 0.2049(3) 0.1740(4) 0.6540(4) 0.0385(15) Uani 1 1 d . . .
C10 C 0.1835(4) 0.1793(5) 0.5551(5) 0.062(2) Uani 1 1 d . . .
H9 H 0.1767 0.1248 0.5297 0.075 Uiso 1 1 calc R . .
H10 H 0.2075 0.2064 0.5339 0.075 Uiso 1 1 calc R . .
H11 H 0.1521 0.2103 0.5363 0.075 Uiso 1 1 calc R . .
C11 C 0.2343(3) 0.2390(4) 0.7102(4) 0.0392(15) Uani 1 1 d . . .
C12 C 0.2485(4) 0.3143(5) 0.6766(5) 0.057(2) Uani 1 1 d . . .
H12 H 0.2512 0.3042 0.6185 0.068 Uiso 1 1 calc R . .
H13 H 0.2809 0.3333 0.7190 0.068 Uiso 1 1 calc R . .
H14 H 0.2227 0.3556 0.6699 0.068 Uiso 1 1 calc R . .
C13 C 0.3155(3) 0.0521(5) 0.7972(6) 0.0483(18) Uani 1 1 d . . .
H15 H 0.2955 0.0490 0.7353 0.058 Uiso 1 1 calc R . .
C14 C 0.3651(4) 0.0259(7) 0.8262(7) 0.070(3) Uani 1 1 d . . .
H16 H 0.3785 0.0020 0.7860 0.084 Uiso 1 1 calc R . .
C15 C 0.3942(4) 0.0357(7) 0.9153(7) 0.074(3) Uani 1 1 d . . .
H17 H 0.4290 0.0221 0.9363 0.088 Uiso 1 1 calc R . .
C16 C 0.3735(3) 0.0651(7) 0.9735(6) 0.061(2) Uani 1 1 d . . .
H18 H 0.3931 0.0694 1.0355 0.073 Uiso 1 1 calc R . .
C17 C 0.3242(3) 0.0881(5) 0.9412(5) 0.0418(16) Uani 1 1 d . . .
C18 C 0.2967(3) 0.1215(4) 0.9967(4) 0.0355(14) Uani 1 1 d . . .
C19 C 0.3194(3) 0.1282(5) 1.0963(5) 0.0446(17) Uani 1 1 d . . .
H19 H 0.3457 0.0871 1.1199 0.054 Uiso 1 1 calc R . .
H20 H 0.2932 0.1197 1.1213 0.054 Uiso 1 1 calc R . .
H21 H 0.3341 0.1820 1.1129 0.054 Uiso 1 1 calc R . .
C20 C 0.1672(3) 0.1710(4) 0.9167(4) 0.0346(14) Uani 1 1 d . . .
C21 C 0.0842(3) 0.1639(4) 0.7197(4) 0.0363(14) Uani 1 1 d . . .
C22 C 0.0494(3) 0.1155(4) 0.6502(5) 0.0361(14) Uani 1 1 d . . .
C23 C -0.0002(3) 0.1436(5) 0.5850(5) 0.0445(17) Uani 1 1 d . . .
H26 H 0.0040 0.1964 0.5608 0.053 Uiso 1 1 calc R . .
H27 H -0.0243 0.1485 0.6152 0.053 Uiso 1 1 calc R . .
H28 H -0.0128 0.1045 0.5360 0.053 Uiso 1 1 calc R . .
C24 C 0.2090(3) -0.0251(4) 0.9087(4) 0.0379(15) Uani 1 1 d . . .
H29 H 0.2452 -0.0252 0.9436 0.045 Uiso 1 1 calc R . .
H30 H 0.1967 -0.0809 0.8979 0.045 Uiso 1 1 calc R . .
H31 H 0.1914 0.0036 0.9420 0.045 Uiso 1 1 calc R . .
C25 C 0.0762(3) 0.2520(4) 0.7308(6) 0.054(2) Uani 1 1 d . . .
H23 H 0.1089 0.2795 0.7543 0.065 Uiso 1 1 calc R . .
H24 H 0.0587 0.2590 0.7727 0.065 Uiso 1 1 calc R . .
H25 H 0.0559 0.2753 0.6728 0.065 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
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
_geom_angle_publ_flag
N11 Co1 N2 175.2(2) . . ?
N11 Co1 N4 94.4(2) . . ?
N2 Co1 N4 82.9(2) . . ?
N11 Co1 N12 81.9(2) . . ?
N2 Co1 N12 94.2(2) . . ?
N4 Co1 N12 92.7(2) . . ?
N11 Co1 N1 101.1(2) . . ?
N2 Co1 N1 81.6(2) . . ?
N4 Co1 N1 164.5(2) . . ?
N12 Co1 N1 88.8(2) . . ?
N11 Co1 O5 90.3(2) . . ?
N2 Co1 O5 93.3(2) . . ?
N4 Co1 O5 82.6(2) . . ?
N12 Co1 O5 170.6(2) . . ?
N1 Co1 O5 97.9(2) . . ?
N8 Co2 N5 174.8(2) . . ?
N8 Co2 N6 95.1(2) . . ?
N5 Co2 N6 81.6(2) . . ?
N8 Co2 N10 83.3(2) . . ?
N5 Co2 N10 92.9(2) . . ?
N6 Co2 N10 93.6(2) . . ?
N8 Co2 N7 82.1(2) . . ?
N5 Co2 N7 101.8(2) . . ?
N6 Co2 N7 89.0(2) . . ?
N10 Co2 N7 165.3(2) . . ?
N8 Co2 O5 97.1(2) . . ?
N5 Co2 O5 86.2(2) . . ?
N6 Co2 O5 167.7(2) . . ?
N10 Co2 O5 87.7(2) . . ?
N7 Co2 O5 92.8(2) . . ?
O6 Cl1 O8 109.0(9) . . ?
O6 Cl1 O7 109.6(8) . . ?
O8 Cl1 O7 110.6(7) . . ?
O6 Cl1 O9 109.0(8) . . ?
O8 Cl1 O9 108.7(8) . . ?
O7 Cl1 O9 109.9(8) . . ?
C24 O5 Co2 119.6(4) . . ?
C24 O5 Co1 120.4(4) . . ?
Co2 O5 Co1 104.2(2) . . ?
C1 N1 C5 120.1(6) . . ?
C1 N1 Co1 127.8(5) . . ?
C5 N1 Co1 112.1(4) . . ?
C6 N2 N3 125.6(6) . . ?
C6 N2 Co1 120.2(5) . . ?
N3 N2 Co1 114.1(4) . . ?
N2 N3 C8 113.2(5) . . ?
N2 N3 H8 116.3 . . ?
C8 N3 H8 113.9 . . ?
C8 N4 N5 112.4(5) . . ?
C8 N4 Co1 112.2(4) . . ?
N5 N4 Co1 110.6(4) . . ?
C9 N5 N4 122.5(5) . . ?
C9 N5 Co2 117.1(4) . . ?
N4 N5 Co2 118.7(4) . . ?
O2 N6 C11 120.8(5) . . ?
O2 N6 Co2 124.1(4) . . ?
C11 N6 Co2 115.1(4) . . ?
C13 N7 C17 118.9(6) . . ?
C13 N7 Co2 128.3(5) . . ?
C17 N7 Co2 112.7(5) . . ?
C18 N8 N9 126.8(6) . . ?
C18 N8 Co2 119.9(5) . . ?
N9 N8 Co2 113.3(4) . . ?
N8 N9 C20 115.3(5) . . ?
N8 N9 H22 120.9 . . ?
C20 N9 H22 120.7 . . ?
C20 N10 N11 115.1(5) . . ?
C20 N10 Co2 113.0(4) . . ?
N11 N10 Co2 111.5(4) . . ?
C21 N11 N10 121.4(5) . . ?
C21 N11 Co1 116.7(4) . . ?
N10 N11 Co1 119.1(4) . . ?
O4 N12 C22 122.7(6) . . ?
O4 N12 Co1 122.3(4) . . ?
C22 N12 Co1 115.0(4) . . ?
N1 C1 C2 122.1(7) . . ?
N1 C1 H1 118.9 . . ?
C2 C1 H1 118.9 . . ?
C3 C2 C1 118.5(7) . . ?
C3 C2 H2 120.7 . . ?
C1 C2 H2 120.7 . . ?
C2 C3 C4 119.3(7) . . ?
C2 C3 H3 120.3 . . ?
C4 C3 H3 120.3 . . ?
C5 C4 C3 119.1(7) . . ?
C5 C4 H4 120.4 . . ?
C3 C4 H4 120.4 . . ?
N1 C5 C4 120.8(6) . . ?
N1 C5 C6 114.9(6) . . ?
C4 C5 C6 124.2(6) . . ?
N2 C6 C5 110.6(6) . . ?
N2 C6 C7 124.9(6) . . ?
C5 C6 C7 124.4(6) . . ?
C6 C7 H5 109.5 . . ?
C6 C7 H6 109.5 . . ?
H5 C7 H6 109.5 . . ?
C6 C7 H7 109.5 . . ?
H5 C7 H7 109.5 . . ?
H6 C7 H7 109.5 . . ?
O1 C8 N4 128.5(7) . . ?
O1 C8 N3 121.2(6) . . ?
N4 C8 N3 110.2(6) . . ?
N5 C9 C11 113.0(6) . . ?
N5 C9 C10 124.4(6) . . ?
C11 C9 C10 122.6(6) . . ?
C9 C10 H9 109.5 . . ?
C9 C10 H10 109.5 . . ?
H9 C10 H10 109.5 . . ?
C9 C10 H11 109.5 . . ?
H9 C10 H11 109.5 . . ?
H10 C10 H11 109.5 . . ?
N6 C11 C9 113.2(6) . . ?
N6 C11 C12 122.0(6) . . ?
C9 C11 C12 124.8(6) . . ?
C11 C12 H12 109.5 . . ?
C11 C12 H13 109.5 . . ?
H12 C12 H13 109.5 . . ?
C11 C12 H14 109.5 . . ?
H12 C12 H14 109.5 . . ?
H13 C12 H14 109.5 . . ?
N7 C13 C14 122.2(8) . . ?
N7 C13 H15 118.9 . . ?
C14 C13 H15 118.9 . . ?
C15 C14 C13 117.8(9) . . ?
C15 C14 H16 121.1 . . ?
C13 C14 H16 121.1 . . ?
C16 C15 C14 120.4(8) . . ?
C16 C15 H17 119.8 . . ?
C14 C15 H17 119.8 . . ?
C17 C16 C15 119.0(8) . . ?
C17 C16 H18 120.5 . . ?
C15 C16 H18 120.5 . . ?
C16 C17 N7 121.6(7) . . ?
C16 C17 C18 124.8(7) . . ?
N7 C17 C18 113.6(6) . . ?
N8 C18 C17 111.7(6) . . ?
N8 C18 C19 124.8(7) . . ?
C17 C18 C19 123.5(6) . . ?
C18 C19 H19 109.5 . . ?
C18 C19 H20 109.5 . . ?
H19 C19 H20 109.5 . . ?
C18 C19 H21 109.5 . . ?
H19 C19 H21 109.5 . . ?
H20 C19 H21 109.5 . . ?
O3 C20 N10 126.7(6) . . ?
O3 C20 N9 122.0(6) . . ?
N10 C20 N9 111.3(5) . . ?
N11 C21 C22 113.5(6) . . ?
N11 C21 C25 123.5(6) . . ?
C22 C21 C25 122.9(6) . . ?
N12 C22 C21 112.5(6) . . ?
N12 C22 C23 122.0(6) . . ?
C21 C22 C23 125.5(6) . . ?
C22 C23 H26 109.5 . . ?
C22 C23 H27 109.5 . . ?
H26 C23 H27 109.5 . . ?
C22 C23 H28 109.5 . . ?
H26 C23 H28 109.5 . . ?
H27 C23 H28 109.5 . . ?
O5 C24 H29 109.5 . . ?
O5 C24 H30 109.5 . . ?
H29 C24 H30 109.5 . . ?
O5 C24 H31 109.5 . . ?
H29 C24 H31 109.5 . . ?
H30 C24 H31 109.5 . . ?
C21 C25 H23 109.5 . . ?
C21 C25 H24 109.5 . . ?
H23 C25 H24 109.5 . . ?
C21 C25 H25 109.5 . . ?
H23 C25 H25 109.5 . . ?
H24 C25 H25 109.5 . . ?
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 N11 1.862(5) . ?
Co1 N2 1.876(5) . ?
Co1 N4 1.902(5) . ?
Co1 N12 1.906(5) . ?
Co1 N1 1.940(5) . ?
Co1 O5 1.978(4) . ?
Co2 N8 1.878(5) . ?
Co2 N5 1.891(5) . ?
Co2 N6 1.902(5) . ?
Co2 N10 1.904(5) . ?
Co2 N7 1.947(6) . ?
Co2 O5 1.956(4) . ?
Cl1 O6 1.363(10) . ?
Cl1 O8 1.399(10) . ?
Cl1 O7 1.424(9) . ?
Cl1 O9 1.453(11) . ?
O1 C8 1.209(8) . ?
O2 N6 1.303(7) . ?
O3 C20 1.221(8) . ?
O4 N12 1.272(7) . ?
O5 C24 1.400(8) . ?
N1 C1 1.333(8) . ?
N1 C5 1.357(8) . ?
N2 C6 1.274(8) . ?
N2 N3 1.374(7) . ?
N3 C8 1.410(9) . ?
N3 H8 0.8073 . ?
N4 C8 1.387(9) . ?
N4 N5 1.411(7) . ?
N5 C9 1.285(9) . ?
N6 C11 1.322(8) . ?
N7 C13 1.323(9) . ?
N7 C17 1.363(9) . ?
N8 C18 1.278(9) . ?
N8 N9 1.360(8) . ?
N9 C20 1.388(9) . ?
N9 H22 0.7972 . ?
N10 C20 1.382(8) . ?
N10 N11 1.405(7) . ?
N11 C21 1.308(9) . ?
N12 C22 1.329(9) . ?
C1 C2 1.387(10) . ?
C1 H1 0.9500 . ?
C2 C3 1.384(11) . ?
C2 H2 0.9500 . ?
C3 C4 1.401(10) . ?
C3 H3 0.9500 . ?
C4 C5 1.383(10) . ?
C4 H4 0.9500 . ?
C5 C6 1.471(9) . ?
C6 C7 1.479(9) . ?
C7 H5 0.9800 . ?
C7 H6 0.9800 . ?
C7 H7 0.9800 . ?
C9 C11 1.456(9) . ?
C9 C10 1.483(10) . ?
C10 H9 0.9800 . ?
C10 H10 0.9800 . ?
C10 H11 0.9800 . ?
C11 C12 1.473(10) . ?
C12 H12 0.9800 . ?
C12 H13 0.9800 . ?
C12 H14 0.9800 . ?
C13 C14 1.389(12) . ?
C13 H15 0.9500 . ?
C14 C15 1.377(14) . ?
C14 H16 0.9500 . ?
C15 C16 1.367(13) . ?
C15 H17 0.9500 . ?
C16 C17 1.363(11) . ?
C16 H18 0.9500 . ?
C17 C18 1.493(10) . ?
C18 C19 1.494(9) . ?
C19 H19 0.9800 . ?
C19 H20 0.9800 . ?
C19 H21 0.9800 . ?
C21 C22 1.437(9) . ?
C21 C25 1.497(9) . ?
C22 C23 1.495(10) . ?
C23 H26 0.9800 . ?
C23 H27 0.9800 . ?
C23 H28 0.9800 . ?
C24 H29 0.9800 . ?
C24 H30 0.9800 . ?
C24 H31 0.9800 . ?
C25 H23 0.9800 . ?
C25 H24 0.9800 . ?
C25 H25 0.9800 . ?
