#------------------------------------------------------------------------------
#$Date: 2017-03-04 15:16:47 +0200 (Sat, 04 Mar 2017) $
#$Revision: 193440 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/50/4345060.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_4345060
loop_
_publ_author_name
'Xu, Jia-Heng'
'Guo, Ling-Yu'
'Su, Hai-Feng'
'Gao, Xiang'
'Wu, Xiao-Fan'
'Wang, Wen-Guang'
'Tung, Chen-Ho'
'Sun, Di'
_publ_section_title
;
 Heptanuclear Co(II)5Co(III)2 Cluster as Efficient Water Oxidation
 Catalyst.
;
_journal_issue                   3
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1591
_journal_page_last               1598
_journal_paper_doi               10.1021/acs.inorgchem.6b02698
_journal_volume                  56
_journal_year                    2017
_chemical_formula_sum            'C32 H66 Cl4 Co7 N16 O28'
_chemical_formula_weight         1677.31
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 116.1675(15)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.723(2)
_cell_length_b                   23.448(4)
_cell_length_c                   12.930(2)
_cell_measurement_temperature    298(2)
_cell_volume                     3189.9(9)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.710
_diffrn_reflns_av_R_equivalents  0.0300
_diffrn_reflns_av_unetI/netI     0.0431
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            12209
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         2.467
_exptl_absorpt_coefficient_mu    2.032
_exptl_crystal_density_diffrn    1.746
_exptl_crystal_F_000             1702
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.222
_refine_diff_density_min         -1.622
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     463
_refine_ls_number_reflns         5583
_refine_ls_number_restraints     161
_refine_ls_restrained_S_all      1.087
_refine_ls_R_factor_all          0.0711
_refine_ls_R_factor_gt           0.0556
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0904P)²+11.2119P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1536
_refine_ls_wR_factor_ref         0.1702
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4387
_reflns_number_total             5583
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic6b02698_si_002.cif
_cod_data_source_block           p
_cod_depositor_comments          'Adding full bibliography for 4345060.cif.'
_cod_original_cell_volume        3189.8(10)
_cod_database_code               4345060
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.687
_shelx_estimated_absorpt_t_max   0.823
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Co1 Co 0.52206(7) 0.44376(3) 0.78647(6) 0.0364(2) Uani 1 1 d . . .
Co2 Co 0.62922(7) 0.56892(3) 0.86892(6) 0.0355(2) Uani 1 1 d . . .
Co3 Co 0.5000 0.5000 1.0000 0.0239(2) Uani 1 2 d S . P
Co4 Co 0.60958(6) 0.62061(3) 1.08339(6) 0.0286(2) Uani 1 1 d . . .
O1W O 0.5338(5) 0.5970(2) 0.6936(4) 0.0634(13) Uani 1 1 d . . .
H1WA H 0.4616 0.6133 0.6804 0.095 Uiso 1 1 d R U .
H1WB H 0.5175 0.5683 0.6459 0.095 Uiso 1 1 d R U .
O9 O 0.4709(3) 0.51947(14) 0.8370(3) 0.0296(7) Uani 1 1 d . . .
O10 O 0.6686(3) 0.54974(14) 1.0522(3) 0.0300(8) Uani 1 1 d . . .
O11 O 0.6255(4) 0.60300(16) 1.2313(3) 0.0371(9) Uani 1 1 d . . .
O12 O 0.4511(3) 0.58176(14) 1.0362(3) 0.0294(8) Uani 1 1 d . . .
O13 O 0.5927(4) 0.63865(15) 0.9350(3) 0.0387(9) Uani 1 1 d . . .
N1 N 0.4336(6) 0.4688(2) 0.6103(5) 0.0573(15) Uani 1 1 d . . .
N2 N 0.6149(6) 0.3797(3) 0.7322(5) 0.0584(15) Uani 1 1 d . . .
N3 N 0.6978(5) 0.4877(2) 0.8550(5) 0.0455(12) Uani 1 1 d . . .
N4 N 0.7989(6) 0.4726(3) 0.8666(5) 0.0607(15) Uani 1 1 d . . .
N5 N 0.8954(7) 0.4584(5) 0.8763(9) 0.125(4) Uani 1 1 d . . .
N6 N 0.7968(6) 0.6053(3) 0.8681(5) 0.0584(15) Uani 1 1 d . . .
N7 N 0.7952(4) 0.6431(2) 1.1684(4) 0.0418(11) Uani 1 1 d . . .
N8 N 0.5110(5) 0.6936(2) 1.0669(4) 0.0467(12) Uani 1 1 d . . .
C1 C 0.3590(8) 0.4769(4) 0.5193(6) 0.066(2) Uani 1 1 d . . .
C2 C 0.2603(12) 0.4863(6) 0.4020(8) 0.121(4) Uani 1 1 d . . .
H2A H 0.2992 0.4917 0.3511 0.181 Uiso 1 1 calc R U .
H2B H 0.2119 0.5196 0.4005 0.181 Uiso 1 1 calc R U .
H2C H 0.2050 0.4537 0.3774 0.181 Uiso 1 1 calc R U .
C3 C 0.6658(7) 0.3520(3) 0.6955(6) 0.0601(18) Uani 1 1 d . . .
C4 C 0.7309(10) 0.3164(5) 0.6452(8) 0.097(3) Uani 1 1 d . . .
H4A H 0.7072 0.3284 0.5674 0.146 Uiso 1 1 calc R U .
H4B H 0.7070 0.2773 0.6455 0.146 Uiso 1 1 calc R U .
H4C H 0.8211 0.3203 0.6897 0.146 Uiso 1 1 calc R U .
C5 C 0.8790(7) 0.6203(3) 0.8556(6) 0.0564(17) Uani 1 1 d . . .
C6 C 0.9886(9) 0.6400(5) 0.8387(10) 0.104(4) Uani 1 1 d . . .
H6A H 0.9735 0.6328 0.7606 0.157 Uiso 1 1 calc R U .
H6B H 1.0635 0.6198 0.8903 0.157 Uiso 1 1 calc R U .
H6C H 1.0005 0.6801 0.8542 0.157 Uiso 1 1 calc R U .
C7 C 0.7942(5) 0.5378(2) 1.1383(5) 0.0396(13) Uani 1 1 d . . .
H7A H 0.8328 0.5081 1.1119 0.048 Uiso 1 1 calc R U .
H7B H 0.7919 0.5250 1.2087 0.048 Uiso 1 1 calc R U .
C8 C 0.8690(5) 0.5923(3) 1.1593(6) 0.0481(15) Uani 1 1 d . . .
H8A H 0.8920 0.5984 1.0967 0.058 Uiso 1 1 calc R U .
H8B H 0.9469 0.5888 1.2301 0.058 Uiso 1 1 calc R U .
C9 C 0.8433(7) 0.6930(3) 1.1286(7) 0.066(2) Uani 1 1 d . . .
H9A H 0.8212 0.6889 1.0481 0.099 Uiso 1 1 calc R U .
H9B H 0.9340 0.6952 1.1716 0.099 Uiso 1 1 calc R U .
H9C H 0.8057 0.7273 1.1403 0.099 Uiso 1 1 calc R U .
C10 C 0.8177(6) 0.6530(3) 1.2892(5) 0.0526(16) Uani 1 1 d . . .
H10A H 0.7895 0.6911 1.2962 0.063 Uiso 1 1 calc R U .
H10B H 0.9080 0.6505 1.3396 0.063 Uiso 1 1 calc R U .
C11 C 0.7480(6) 0.6102(3) 1.3258(5) 0.0490(15) Uani 1 1 d . . .
H11A H 0.7935 0.5742 1.3448 0.059 Uiso 1 1 calc R U .
H11B H 0.7399 0.6238 1.3932 0.059 Uiso 1 1 calc R U .
C12 C 0.5395(8) 0.7297(3) 1.1677(7) 0.064(2) Uani 1 1 d . . .
H12A H 0.5354 0.7073 1.2281 0.096 Uiso 1 1 calc R U .
H12B H 0.4785 0.7601 1.1471 0.096 Uiso 1 1 calc R U .
H12C H 0.6232 0.7455 1.1940 0.096 Uiso 1 1 calc R U .
C13 C 0.5317(8) 0.7279(3) 0.9773(6) 0.0583(18) Uani 1 1 d . . .
H13A H 0.4662 0.7568 0.9452 0.070 Uiso 1 1 calc R U .
H13B H 0.6134 0.7469 1.0133 0.070 Uiso 1 1 calc R U .
C14 C 0.5279(7) 0.6897(3) 0.8833(6) 0.0534(17) Uani 1 1 d . . .
H14A H 0.4406 0.6815 0.8297 0.064 Uiso 1 1 calc R U .
H14B H 0.5690 0.7081 0.8414 0.064 Uiso 1 1 calc R U .
C15 C 0.3743(6) 0.6756(3) 1.0221(6) 0.0508(16) Uani 1 1 d . . .
H15A H 0.3205 0.7038 0.9674 0.061 Uiso 1 1 calc R U .
H15B H 0.3514 0.6741 1.0856 0.061 Uiso 1 1 calc R U .
C16 C 0.3505(5) 0.6179(2) 0.9639(5) 0.0431(14) Uani 1 1 d . . .
H16A H 0.2695 0.6027 0.9544 0.052 Uiso 1 1 calc R U .
H16B H 0.3491 0.6211 0.8886 0.052 Uiso 1 1 calc R U .
Cl2 Cl 0.1685(2) 0.60605(10) 0.59816(17) 0.0742(5) Uani 1 1 d . U .
O1 O 0.1243(13) 0.5905(6) 0.4700(11) 0.091(2) Uani 0.5 1 d . U P
O1A O 0.0909(11) 0.6107(5) 0.4859(8) 0.0915(19) Uani 0.5 1 d D U P
O2 O 0.0556(13) 0.6212(6) 0.5964(12) 0.0934(18) Uani 0.5 1 d . U P
O2A O 0.1203(13) 0.6367(5) 0.6710(10) 0.0960(18) Uani 0.5 1 d D U P
O3 O 0.2236(14) 0.6628(6) 0.6442(12) 0.0965(19) Uani 0.5 1 d . U P
O3A O 0.2828(11) 0.6455(6) 0.6270(11) 0.094(2) Uani 0.5 1 d D U P
O4 O 0.2737(13) 0.5716(6) 0.6406(11) 0.086(2) Uani 0.5 1 d . U P
O4A O 0.2145(12) 0.5543(5) 0.6511(10) 0.088(2) Uani 0.5 1 d D U P
Cl1 Cl 0.6412(2) 0.71548(11) 0.5657(2) 0.0838(6) Uani 1 1 d D U .
O5 O 0.5448(14) 0.6995(6) 0.6010(12) 0.095(2) Uani 0.5 1 d . U P
O5A O 0.5419(11) 0.7350(5) 0.5875(11) 0.1038(19) Uani 0.5 1 d D U P
O6 O 0.6284(14) 0.7799(6) 0.5814(12) 0.102(2) Uani 0.5 1 d . U P
O6A O 0.6500(12) 0.6522(3) 0.5794(10) 0.101(2) Uani 0.5 1 d D U P
O7 O 0.7617(10) 0.7383(5) 0.6531(9) 0.100(2) Uani 0.5 1 d D U P
O7A O 0.7537(15) 0.7047(7) 0.6488(13) 0.1049(19) Uani 0.5 1 d . U P
O8 O 0.6275(11) 0.7259(4) 0.4558(6) 0.181(5) Uani 1 1 d D U .
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
O11 Co1 O9 98.76(15) 3_667 .
O11 Co1 N3 163.80(18) 3_667 .
O9 Co1 N3 79.29(17) . .
O11 Co1 N1 92.3(2) 3_667 .
O9 Co1 N1 91.67(18) . .
N3 Co1 N1 103.8(2) . .
O11 Co1 N2 96.8(2) 3_667 .
O9 Co1 N2 164.3(2) . .
N3 Co1 N2 86.4(2) . .
N1 Co1 N2 85.5(2) . .
O11 Co1 O12 72.12(14) 3_667 3_667
O9 Co1 O12 80.58(12) . 3_667
N3 Co1 O12 91.73(17) . 3_667
N1 Co1 O12 161.1(2) . 3_667
N2 Co1 O12 106.49(19) . 3_667
O13 Co2 O9 101.73(15) . .
O13 Co2 N3 161.53(19) . .
O9 Co2 N3 79.55(17) . .
O13 Co2 O1W 95.28(19) . .
O9 Co2 O1W 87.53(16) . .
N3 Co2 O1W 103.2(2) . .
O13 Co2 N6 92.7(2) . .
O9 Co2 N6 164.6(2) . .
N3 Co2 N6 88.5(2) . .
O1W Co2 N6 85.7(2) . .
O13 Co2 O10 72.11(14) . .
O9 Co2 O10 81.22(13) . .
N3 Co2 O10 90.04(17) . .
O1W Co2 O10 160.83(18) . .
N6 Co2 O10 108.77(19) . .
O9 Co3 O9 180.0 . 3_667
O9 Co3 O12 84.96(13) . 3_667
O9 Co3 O12 95.04(13) 3_667 3_667
O9 Co3 O12 95.04(13) . .
O9 Co3 O12 84.96(13) 3_667 .
O12 Co3 O12 180.0 3_667 .
O9 Co3 O10 85.03(14) . .
O9 Co3 O10 94.97(14) 3_667 .
O12 Co3 O10 105.23(13) 3_667 .
O12 Co3 O10 74.76(13) . .
O9 Co3 O10 94.97(14) . 3_667
O9 Co3 O10 85.03(14) 3_667 3_667
O12 Co3 O10 74.77(13) 3_667 3_667
O12 Co3 O10 105.24(13) . 3_667
O10 Co3 O10 180.0 . 3_667
O11 Co4 O13 179.58(18) . .
O11 Co4 O10 98.10(16) . .
O13 Co4 O10 82.29(16) . .
O11 Co4 O12 82.37(16) . .
O13 Co4 O12 97.49(16) . .
O10 Co4 O12 84.79(15) . .
O11 Co4 N8 95.10(19) . .
O13 Co4 N8 84.49(19) . .
O10 Co4 N8 163.11(18) . .
O12 Co4 N8 86.57(19) . .
O11 Co4 N7 84.51(19) . .
O13 Co4 N7 95.70(19) . .
O10 Co4 N7 86.51(17) . .
O12 Co4 N7 163.06(17) . .
N8 Co4 N7 105.3(2) . .
Co3 O9 Co2 101.16(15) . .
Co3 O9 Co1 101.26(15) . .
Co2 O9 Co1 100.64(15) . .
C7 O10 Co4 110.6(3) . .
C7 O10 Co3 129.2(3) . .
Co4 O10 Co3 99.87(15) . .
C7 O10 Co2 121.5(3) . .
Co4 O10 Co2 97.09(14) . .
Co3 O10 Co2 92.59(13) . .
C11 O11 Co4 117.1(4) . .
C11 O11 Co1 131.7(4) . 3_667
Co4 O11 Co1 108.30(17) . 3_667
C16 O12 Co4 109.6(3) . .
C16 O12 Co3 128.7(3) . .
Co4 O12 Co3 100.56(15) . .
C16 O12 Co1 122.1(3) . 3_667
Co4 O12 Co1 96.99(14) . 3_667
Co3 O12 Co1 93.13(13) . 3_667
C14 O13 Co4 117.6(4) . .
C14 O13 Co2 131.9(4) . .
Co4 O13 Co2 107.96(17) . .
C1 N1 Co1 161.5(7) . .
C3 N2 Co1 170.6(6) . .
N4 N3 Co2 131.3(5) . .
N4 N3 Co1 130.1(5) . .
Co2 N3 Co1 98.0(2) . .
N5 N4 N3 179.1(10) . .
C5 N6 Co2 171.4(6) . .
C10 N7 C9 108.8(5) . .
C10 N7 C8 111.4(5) . .
C9 N7 C8 106.1(5) . .
C10 N7 Co4 105.2(4) . .
C9 N7 Co4 119.8(4) . .
C8 N7 Co4 105.5(3) . .
C12 N8 C15 106.9(5) . .
C12 N8 C13 108.9(5) . .
C15 N8 C13 110.9(5) . .
C12 N8 Co4 120.0(4) . .
C15 N8 Co4 105.4(3) . .
C13 N8 Co4 104.7(4) . .
N1 C1 C2 178.6(11) . .
N2 C3 C4 178.8(9) . .
N6 C5 C6 179.6(10) . .
O10 C7 C8 107.0(4) . .
C7 C8 N7 112.1(5) . .
N7 C10 C11 111.0(5) . .
O11 C11 C10 107.0(5) . .
C14 C13 N8 110.3(5) . .
O13 C14 C13 107.7(5) . .
N8 C15 C16 111.9(5) . .
O12 C16 C15 106.8(5) . .
O1A Cl2 O2 76.7(8) . .
O1A Cl2 O4 123.1(8) . .
O2 Cl2 O4 149.0(9) . .
O1A Cl2 O4A 122.8(7) . .
O2 Cl2 O4A 113.7(9) . .
O4 Cl2 O4A 36.6(7) . .
O1A Cl2 O2A 112.6(6) . .
O2 Cl2 O2A 40.8(7) . .
O4 Cl2 O2A 124.0(8) . .
O4A Cl2 O2A 106.6(7) . .
O1A Cl2 O3 109.2(8) . .
O2 Cl2 O3 91.2(9) . .
O4 Cl2 O3 102.3(8) . .
O4A Cl2 O3 125.7(8) . .
O2A Cl2 O3 62.0(8) . .
O1A Cl2 O3A 108.5(7) . .
O2 Cl2 O3A 125.9(9) . .
O4 Cl2 O3A 73.9(8) . .
O4A Cl2 O3A 107.5(8) . .
O2A Cl2 O3A 95.2(8) . .
O3 Cl2 O3A 35.1(6) . .
O1A Cl2 O1 26.9(6) . .
O2 Cl2 O1 100.4(8) . .
O4 Cl2 O1 96.2(7) . .
O4A Cl2 O1 101.4(8) . .
O2A Cl2 O1 139.0(7) . .
O3 Cl2 O1 121.4(8) . .
O3A Cl2 O1 104.3(8) . .
O1A O1 Cl2 59.5(13) . .
O1 O1A Cl2 93.6(15) . .
O1 O1A O2 137.0(19) . .
Cl2 O1A O2 52.4(5) . .
O2A O2 Cl2 76.1(11) . .
O2A O2 O1A 120.8(16) . .
Cl2 O2 O1A 51.0(6) . .
O2 O2A Cl2 63.1(10) . .
O2 O2A O3 105.5(15) . .
Cl2 O2A O3 59.1(7) . .
O3A O3 Cl2 75.3(13) . .
O3A O3 O2A 129.8(18) . .
Cl2 O3 O2A 58.8(7) . .
O3 O3A Cl2 69.6(13) . .
O3 O3A O4 109.3(17) . .
Cl2 O3A O4 48.8(6) . .
O4A O4 Cl2 72.3(11) . .
O4A O4 O3A 124.6(15) . .
Cl2 O4 O3A 57.3(6) . .
O4 O4A Cl2 71.1(11) . .
O7A Cl1 O8 119.9(9) . .
O7A Cl1 O5A 121.8(10) . .
O8 Cl1 O5A 115.1(6) . .
O7A Cl1 O5 109.7(9) . .
O8 Cl1 O5 128.4(8) . .
O5A Cl1 O5 34.8(7) . .
O7A Cl1 O7 32.5(7) . .
O8 Cl1 O7 111.4(6) . .
O5A Cl1 O7 109.3(6) . .
O5 Cl1 O7 118.2(8) . .
O7A Cl1 O6A 73.7(8) . .
O8 Cl1 O6A 105.6(5) . .
O5A Cl1 O6A 108.9(6) . .
O5 Cl1 O6A 74.1(7) . .
O7 Cl1 O6A 106.2(6) . .
O7A Cl1 O6 101.7(9) . .
O8 Cl1 O6 89.3(7) . .
O5A Cl1 O6 60.7(7) . .
O5 Cl1 O6 94.4(8) . .
O7 Cl1 O6 70.0(7) . .
O6A Cl1 O6 164.7(7) . .
O5A O5 Cl1 69.3(11) . .
O5A O5 O6A 123.4(15) . .
Cl1 O5 O6A 54.2(6) . .
O5 O5A Cl1 75.9(12) . .
O5 O5A O6 137.6(16) . .
Cl1 O5A O6 64.6(8) . .
O5A O6 Cl1 54.7(6) . .
O5A O6 O7 92.8(9) . .
Cl1 O6 O7 53.0(6) . .
Cl1 O6A O7A 48.1(6) . .
Cl1 O6A O5 51.7(5) . .
O7A O6A O5 81.2(8) . .
O7A O7 Cl1 62.6(13) . .
O7A O7 O6 118.3(17) . .
Cl1 O7 O6 57.0(6) . .
O7 O7A Cl1 84.9(16) . .
O7 O7A O6A 143(2) . .
Cl1 O7A O6A 58.2(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O11 1.974(4) 3_667
Co1 O9 2.069(3) .
Co1 N3 2.116(5) .
Co1 N1 2.128(6) .
Co1 N2 2.146(6) .
Co1 O12 2.254(4) 3_667
Co2 O13 1.978(4) .
Co2 O9 2.069(4) .
Co2 N3 2.105(5) .
Co2 O1W 2.142(5) .
Co2 N6 2.146(6) .
Co2 O10 2.251(4) .
Co3 O9 2.033(3) .
Co3 O9 2.033(3) 3_667
Co3 O12 2.111(3) 3_667
Co3 O12 2.111(3) .
Co3 O10 2.132(3) .
Co3 O10 2.132(3) 3_667
Co4 O11 1.884(4) .
Co4 O13 1.887(4) .
Co4 O10 1.910(3) .
Co4 O12 1.911(3) .
Co4 N8 2.022(5) .
Co4 N7 2.027(5) .
O10 C7 1.428(6) .
O11 C11 1.427(7) .
O11 Co1 1.974(4) 3_667
O12 C16 1.418(6) .
O12 Co1 2.254(4) 3_667
O13 C14 1.418(7) .
N1 C1 1.130(9) .
N2 C3 1.119(9) .
N3 N4 1.182(7) .
N4 N5 1.131(9) .
N6 C5 1.103(8) .
N7 C10 1.483(8) .
N7 C9 1.487(8) .
N7 C8 1.507(8) .
N8 C12 1.465(8) .
N8 C15 1.505(8) .
N8 C13 1.514(8) .
C1 C2 1.463(12) .
C3 C4 1.463(10) .
C5 C6 1.469(11) .
C7 C8 1.506(9) .
C10 C11 1.497(9) .
C13 C14 1.494(10) .
C15 C16 1.513(8) .
Cl2 O1A 1.335(9) .
Cl2 O2 1.360(14) .
Cl2 O4 1.371(12) .
Cl2 O4A 1.380(9) .
Cl2 O2A 1.480(10) .
Cl2 O3 1.485(15) .
Cl2 O3A 1.532(13) .
Cl2 O1 1.547(13) .
O1 O1A 0.702(15) .
O1A O2 1.671(18) .
O2 O2A 0.996(15) .
O2A O3 1.53(2) .
O3 O3A 0.912(17) .
O3A O4 1.750(19) .
O4 O4A 0.863(17) .
Cl1 O7A 1.307(16) .
Cl1 O8 1.379(7) .
Cl1 O5A 1.391(10) .
Cl1 O5 1.443(13) .
Cl1 O7 1.466(9) .
Cl1 O6A 1.493(7) .
Cl1 O6 1.540(16) .
O5 O5A 0.849(15) .
O5 O6A 1.769(19) .
O5A O6 1.487(18) .
O6 O7 1.72(2) .
O6A O7A 1.685(17) .
O7 O7A 0.792(16) .
