#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/21/4342181.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_4342181
loop_
_publ_author_name
'Ding, Ran'
'Huang, Chao'
'Lu, Jingjing'
'Wang, Junning'
'Song, Chuanjun'
'Wu, Jie'
'Hou, Hongwei'
'Fan, Yaoting'
_publ_section_title
;
 Solvent templates induced porous metal-organic materials: conformational
 isomerism and catalytic activity.
;
_journal_issue                   4
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1405
_journal_page_last               1413
_journal_paper_doi               10.1021/ic502369y
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         'C23 H25 Co2 N O13'
_chemical_formula_sum            'C23 H25 Co2 N O13'
_chemical_formula_weight         641.30
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_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                104.32(3)
_cell_angle_beta                 103.67(3)
_cell_angle_gamma                109.51(3)
_cell_formula_units_Z            2
_cell_length_a                   10.570(2)
_cell_length_b                   10.659(2)
_cell_length_c                   13.810(3)
_cell_measurement_reflns_used    3760
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.8804
_cell_measurement_theta_min      1.6240
_cell_volume                     1331.5(7)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2006)'
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2006)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2006)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  Saturn724
_diffrn_measurement_method       dtprofit.ref
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0520
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6252
_diffrn_reflns_theta_full        27.88
_diffrn_reflns_theta_max         27.88
_diffrn_reflns_theta_min         2.18
_diffrn_standards_number         4228
_exptl_absorpt_coefficient_mu    1.313
_exptl_absorpt_correction_T_max  0.7792
_exptl_absorpt_correction_T_min  0.6941
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'CrystalClear (Rigaku/MSC Inc., 2006)'
_exptl_crystal_colour            Purple
_exptl_crystal_density_diffrn    1.600
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             656
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_platon_squeeze_details
'The unit cell includes a large region of disordered solvent water molecules, which could not be modeled as discrete atomic sites. We employed PLATON/SQUEEZE to calculate the diffraction contribution of the solvent water molecules and, thereby, to produce a set of solvent-free diffraction intensities.Combing single-crystal structures, elemental microanalyses, TGA and the electron count of the SQUEEZE results, about no solvent molecules per asymmetric unit'
_refine_diff_density_max         1.617
_refine_diff_density_min         -0.593
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.959
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     353
_refine_ls_number_reflns         6252
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      0.960
_refine_ls_R_factor_all          0.0722
_refine_ls_R_factor_gt           0.0563
_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)+(0.0900P)²+2.1286P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1505
_refine_ls_wR_factor_ref         0.1642
_reflns_number_gt                4953
_reflns_number_total             6252
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic502369y_si_002.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_absorpt_correction_type' value 'Numerical' changed to
'numerical' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

 Adding full bibliography for 4342180--4342182.cif.
;
_cod_original_cell_volume        1331.5(5)
_cod_original_sg_symbol_Hall     '-P 1   '
_cod_original_sg_symbol_H-M      'P-1   '
_cod_database_code               4342181
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 -0.76010(5) 0.47571(6) -0.37607(4) 0.03123(17) Uani 1 1 d .
Co2 Co 0.66874(5) 1.40542(6) 1.07939(4) 0.02790(16) Uani 1 1 d .
O1 O 1.1130(3) 1.4193(4) 0.7037(3) 0.0611(10) Uani 1 1 d .
O2 O 1.1160(3) 1.5137(3) 0.8652(2) 0.0462(8) Uani 1 1 d .
O3 O 0.6482(3) 1.3515(4) 0.9255(2) 0.0427(7) Uani 1 1 d .
O4 O 0.4514(3) 1.2891(4) 0.7900(2) 0.0424(7) Uani 1 1 d .
O5 O 0.6840(3) 1.6113(3) 1.0919(2) 0.0357(6) Uani 1 1 d .
O6 O 0.6136(3) 1.1791(3) 0.46865(19) 0.0347(6) Uani 1 1 d .
O7 O 0.0637(3) 0.8311(3) -0.0538(2) 0.0380(7) Uani 1 1 d .
O8 O -0.0919(3) 0.6314(3) -0.4527(2) 0.0359(7) Uani 1 1 d .
O9 O -0.3242(3) 0.5091(3) -0.50444(19) 0.0371(7) Uani 1 1 d .
O10 O -0.4606(3) 0.6562(3) -0.0777(2) 0.0375(7) Uani 1 1 d .
O11 O -0.5801(3) 0.5873(4) -0.2468(2) 0.0463(8) Uani 1 1 d .
O12 O -0.7998(3) 0.6652(3) -0.3670(2) 0.0431(7) Uani 1 1 d .
O13 O -0.7283(4) 0.2852(4) -0.3866(3) 0.0531(9) Uani 1 1 d .
N1 N 0.6652(5) 1.2128(4) 1.0913(4) 0.0494(10) Uani 1 1 d .
C1 C 1.0520(4) 1.4401(4) 0.7690(3) 0.0335(9) Uani 1 1 d .
C2 C 0.8919(4) 1.3692(4) 0.7291(3) 0.0253(7) Uani 1 1 d .
C3 C 0.8209(4) 1.3011(4) 0.6196(3) 0.0272(7) Uani 1 1 d .
H3 H 0.8732 1.2958 0.5744 0.033 Uiso 1 1 calc R
C4 C 0.6725(4) 1.2412(4) 0.5775(3) 0.0270(7) Uani 1 1 d .
C5 C 0.5942(4) 1.2472(4) 0.6455(3) 0.0249(7) Uani 1 1 d .
H5A H 0.4946 1.2076 0.6178 0.030 Uiso 1 1 calc R
C6 C 0.6666(4) 1.3133(4) 0.7556(2) 0.0214(7) Uani 1 1 d .
C7 C 0.8143(4) 1.3745(4) 0.7973(3) 0.0236(7) Uani 1 1 d .
H7 H 0.8616 1.4191 0.8706 0.028 Uiso 1 1 calc R
C8 C 0.5809(4) 1.3181(4) 0.8285(3) 0.0261(7) Uani 1 1 d .
C9 C 0.6569(7) 1.1152(9) 1.1072(6) 0.087(2) Uani 1 1 d .
C10 C 0.6704(10) 0.9869(8) 1.1387(7) 0.109(3) Uani 1 1 d U
H10A H 0.7181 0.9457 1.0981 0.163 Uiso 1 1 calc R
H10B H 0.5765 0.9163 1.1239 0.163 Uiso 1 1 calc R
H10C H 0.7247 1.0205 1.2134 0.163 Uiso 1 1 calc R
C11 C 0.4623(4) 1.1345(4) 0.4204(3) 0.0309(8) Uani 1 1 d .
H11A H 0.4374 1.2148 0.4394 0.037 Uiso 1 1 calc R
H11B H 0.4097 1.0623 0.4446 0.037 Uiso 1 1 calc R
C12 C 0.4259(4) 1.0749(4) 0.3015(3) 0.0309(8) Uani 1 1 d .
H12A H 0.4654 1.0055 0.2853 0.037 Uiso 1 1 calc R
H12B H 0.4705 1.1513 0.2778 0.037 Uiso 1 1 calc R
C13 C 0.2654(4) 1.0045(4) 0.2402(3) 0.0310(8) Uani 1 1 d .
H13A H 0.2256 1.0742 0.2542 0.037 Uiso 1 1 calc R
H13B H 0.2199 0.9289 0.2643 0.037 Uiso 1 1 calc R
C14 C 0.2344(4) 0.9429(4) 0.1203(3) 0.0304(8) Uani 1 1 d .
H14A H 0.2794 1.0192 0.0966 0.036 Uiso 1 1 calc R
H14B H 0.2764 0.8751 0.1070 0.036 Uiso 1 1 calc R
C15 C 0.0753(4) 0.8693(4) 0.0560(3) 0.0301(8) Uani 1 1 d .
H15A H 0.0301 0.7851 0.0718 0.036 Uiso 1 1 calc R
H15B H 0.0295 0.9330 0.0724 0.036 Uiso 1 1 calc R
C16 C -0.0719(4) 0.7133(4) -0.2347(3) 0.0275(8) Uani 1 1 d .
H16 H 0.0137 0.7334 -0.2479 0.033 Uiso 1 1 calc R
C17 C -0.2016(4) 0.6394(4) -0.3187(3) 0.0249(7) Uani 1 1 d .
C18 C -0.3300(4) 0.6120(4) -0.2992(3) 0.0235(7) Uani 1 1 d .
H18 H -0.4169 0.5633 -0.3558 0.028 Uiso 1 1 calc R
C19 C -0.3281(3) 0.6576(4) -0.1953(2) 0.0223(7) Uani 1 1 d .
C20 C -0.1969(4) 0.7299(4) -0.1100(3) 0.0247(7) Uani 1 1 d .
H20 H -0.1951 0.7590 -0.0402 0.030 Uiso 1 1 calc R
C21 C -0.0701(4) 0.7575(4) -0.1303(3) 0.0261(7) Uani 1 1 d .
C22 C -0.2056(4) 0.5904(4) -0.4311(3) 0.0284(8) Uani 1 1 d .
C23 C -0.4637(4) 0.6314(4) -0.1727(3) 0.0254(7) 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'
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'
Co Co 0.3494 0.9721 '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
O1 Co1 O11 95.38(14) 1_344 .
O1 Co1 O9 163.93(14) 1_344 2_464
O11 Co1 O9 100.18(12) . 2_464
O1 Co1 O13 87.73(16) 1_344 .
O11 Co1 O13 90.20(14) . .
O9 Co1 O13 88.24(13) 2_464 .
O1 Co1 O12 91.01(15) 1_344 .
O11 Co1 O12 91.27(13) . .
O9 Co1 O12 92.60(12) 2_464 .
O13 Co1 O12 178.15(12) . .
O1 Co1 O8 103.47(13) 1_344 2_464
O11 Co1 O8 161.05(12) . 2_464
O9 Co1 O8 60.88(10) 2_464 2_464
O13 Co1 O8 88.70(12) . 2_464
O12 Co1 O8 90.27(12) . 2_464
O1 Co1 C22 133.63(14) 1_344 2_464
O11 Co1 C22 130.50(13) . 2_464
O9 Co1 C22 30.45(11) 2_464 2_464
O13 Co1 C22 86.08(13) . 2_464
O12 Co1 C22 93.81(12) . 2_464
O8 Co1 C22 30.56(11) 2_464 2_464
O3 Co2 O2 95.31(13) . 2_787
O3 Co2 O10 104.30(12) . 2_576
O2 Co2 O10 160.40(12) 2_787 2_576
O3 Co2 N1 95.28(16) . .
O2 Co2 N1 88.45(16) 2_787 .
O10 Co2 N1 89.87(16) 2_576 .
O3 Co2 O5 92.81(13) . .
O2 Co2 O5 88.62(13) 2_787 .
O10 Co2 O5 90.27(12) 2_576 .
N1 Co2 O5 171.62(14) . .
C1 O1 Co1 155.3(4) . 1_766
C1 O2 Co2 118.0(3) . 2_787
C8 O3 Co2 153.5(3) . .
C4 O6 C11 117.5(3) . .
C21 O7 C15 118.3(3) . .
C22 O8 Co1 84.9(2) . 2_464
C22 O9 Co1 93.3(2) . 2_464
C23 O10 Co2 108.3(2) . 2_576
C23 O11 Co1 166.9(3) . .
C9 N1 Co2 171.3(5) . .
O2 C1 O1 124.0(4) . .
O2 C1 C2 118.3(4) . .
O1 C1 C2 117.7(4) . .
C3 C2 C7 120.1(3) . .
C3 C2 C1 117.7(3) . .
C7 C2 C1 122.1(3) . .
C2 C3 C4 120.3(3) . .
C2 C3 H3 119.9 . .
C4 C3 H3 119.9 . .
O6 C4 C3 115.5(3) . .
O6 C4 C5 124.7(3) . .
C3 C4 C5 119.8(3) . .
C4 C5 C6 119.4(3) . .
C4 C5 H5A 120.3 . .
C6 C5 H5A 120.3 . .
C7 C6 C5 120.7(3) . .
C7 C6 C8 120.2(3) . .
C5 C6 C8 119.0(3) . .
C6 C7 C2 119.6(3) . .
C6 C7 H7 120.2 . .
C2 C7 H7 120.2 . .
O4 C8 O3 124.7(3) . .
O4 C8 C6 119.2(3) . .
O3 C8 C6 116.1(3) . .
N1 C9 C10 171.3(8) . .
C9 C10 H10A 109.5 . .
C9 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C9 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
O6 C11 C12 107.0(3) . .
O6 C11 H11A 110.3 . .
C12 C11 H11A 110.3 . .
O6 C11 H11B 110.3 . .
C12 C11 H11B 110.3 . .
H11A C11 H11B 108.6 . .
C11 C12 C13 112.8(3) . .
C11 C12 H12A 109.0 . .
C13 C12 H12A 109.0 . .
C11 C12 H12B 109.0 . .
C13 C12 H12B 109.0 . .
H12A C12 H12B 107.8 . .
C12 C13 C14 110.7(3) . .
C12 C13 H13A 109.5 . .
C14 C13 H13A 109.5 . .
C12 C13 H13B 109.5 . .
C14 C13 H13B 109.5 . .
H13A C13 H13B 108.1 . .
C15 C14 C13 112.6(3) . .
C15 C14 H14A 109.1 . .
C13 C14 H14A 109.1 . .
C15 C14 H14B 109.1 . .
C13 C14 H14B 109.1 . .
H14A C14 H14B 107.8 . .
O7 C15 C14 106.0(3) . .
O7 C15 H15A 110.5 . .
C14 C15 H15A 110.5 . .
O7 C15 H15B 110.5 . .
C14 C15 H15B 110.5 . .
H15A C15 H15B 108.7 . .
C17 C16 C21 119.8(3) . .
C17 C16 H16 120.1 . .
C21 C16 H16 120.1 . .
C16 C17 C18 120.2(3) . .
C16 C17 C22 120.5(3) . .
C18 C17 C22 119.3(3) . .
C19 C18 C17 120.0(3) . .
C19 C18 H18 120.0 . .
C17 C18 H18 120.0 . .
C18 C19 C20 119.9(3) . .
C18 C19 C23 121.0(3) . .
C20 C19 C23 119.2(3) . .
C21 C20 C19 119.6(3) . .
C21 C20 H20 120.2 . .
C19 C20 H20 120.2 . .
O7 C21 C20 124.6(3) . .
O7 C21 C16 114.8(3) . .
C20 C21 C16 120.5(3) . .
O9 C22 O8 120.4(3) . .
O9 C22 C17 119.0(3) . .
O8 C22 C17 120.6(3) . .
O9 C22 Co1 56.26(18) . 2_464
O8 C22 Co1 64.56(19) . 2_464
C17 C22 Co1 171.2(3) . 2_464
O11 C23 O10 119.8(3) . .
O11 C23 C19 120.5(3) . .
O10 C23 C19 119.7(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O1 1.965(3) 1_344
Co1 O11 2.014(3) .
Co1 O9 2.068(3) 2_464
Co1 O13 2.142(3) .
Co1 O12 2.176(3) .
Co1 O8 2.250(3) 2_464
Co1 C22 2.482(4) 2_464
Co2 O3 1.998(3) .
Co2 O2 2.011(3) 2_787
Co2 O10 2.067(3) 2_576
Co2 N1 2.089(4) .
Co2 O5 2.106(3) .
O1 C1 1.244(5) .
O1 Co1 1.965(3) 1_766
O2 C1 1.243(5) .
O2 Co2 2.011(3) 2_787
O3 C8 1.254(4) .
O4 C8 1.243(4) .
O6 C4 1.369(4) .
O6 C11 1.435(4) .
O7 C21 1.369(4) .
O7 C15 1.434(4) .
O8 C22 1.267(4) .
O8 Co1 2.250(3) 2_464
O9 C22 1.260(5) .
O9 Co1 2.068(3) 2_464
O10 C23 1.262(4) .
O10 Co2 2.067(3) 2_576
O11 C23 1.250(4) .
N1 C9 1.095(9) .
C1 C2 1.496(5) .
C2 C3 1.391(5) .
C2 C7 1.391(5) .
C3 C4 1.387(5) .
C3 H3 0.9300 .
C4 C5 1.394(5) .
C5 C6 1.398(5) .
C5 H5A 0.9300 .
C6 C7 1.379(5) .
C6 C8 1.507(5) .
C7 H7 0.9300 .
C9 C10 1.573(11) .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C11 C12 1.508(5) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 C13 1.521(5) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 C14 1.530(5) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 C15 1.516(5) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 C17 1.385(5) .
C16 C21 1.396(5) .
C16 H16 0.9300 .
C17 C18 1.395(5) .
C17 C22 1.496(5) .
C18 C19 1.390(4) .
C18 H18 0.9300 .
C19 C20 1.404(4) .
C19 C23 1.489(5) .
C20 C21 1.384(5) .
C20 H20 0.9300 .
C22 Co1 2.482(4) 2_464
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_4
O2 Co2 O3 C8 -161.5(7) 2_787 .
O10 Co2 O3 C8 18.4(7) 2_576 .
N1 Co2 O3 C8 109.6(7) . .
O5 Co2 O3 C8 -72.6(7) . .
O1 Co1 O11 C23 99.9(13) 1_344 .
O9 Co1 O11 C23 -76.1(13) 2_464 .
O13 Co1 O11 C23 12.2(13) . .
O12 Co1 O11 C23 -168.9(13) . .
O8 Co1 O11 C23 -74.4(15) 2_464 .
C22 Co1 O11 C23 -72.8(14) 2_464 .
O3 Co2 N1 C9 -153(4) . .
O2 Co2 N1 C9 112(4) 2_787 .
O10 Co2 N1 C9 -48(4) 2_576 .
O5 Co2 N1 C9 43(4) . .
Co2 O2 C1 O1 -3.7(6) 2_787 .
Co2 O2 C1 C2 174.8(3) 2_787 .
Co1 O1 C1 O2 -58.8(9) 1_766 .
Co1 O1 C1 C2 122.7(7) 1_766 .
O2 C1 C2 C3 172.7(4) . .
O1 C1 C2 C3 -8.7(6) . .
O2 C1 C2 C7 -4.9(6) . .
O1 C1 C2 C7 173.7(4) . .
C7 C2 C3 C4 1.6(6) . .
C1 C2 C3 C4 -176.0(3) . .
C11 O6 C4 C3 -171.0(3) . .
C11 O6 C4 C5 8.9(6) . .
C2 C3 C4 O6 178.8(3) . .
C2 C3 C4 C5 -1.1(6) . .
O6 C4 C5 C6 179.8(3) . .
C3 C4 C5 C6 -0.3(6) . .
C4 C5 C6 C7 1.1(6) . .
C4 C5 C6 C8 -179.5(3) . .
C5 C6 C7 C2 -0.6(5) . .
C8 C6 C7 C2 180.0(3) . .
C3 C2 C7 C6 -0.7(5) . .
C1 C2 C7 C6 176.8(3) . .
Co2 O3 C8 O4 -9.5(10) . .
Co2 O3 C8 C6 170.8(5) . .
C7 C6 C8 O4 165.5(4) . .
C5 C6 C8 O4 -13.8(5) . .
C7 C6 C8 O3 -14.8(5) . .
C5 C6 C8 O3 165.9(4) . .
Co2 N1 C9 C10 -104(6) . .
C4 O6 C11 C12 178.2(3) . .
O6 C11 C12 C13 172.1(3) . .
C11 C12 C13 C14 -178.7(3) . .
C12 C13 C14 C15 179.0(3) . .
C21 O7 C15 C14 177.6(3) . .
C13 C14 C15 O7 174.0(3) . .
C21 C16 C17 C18 1.5(6) . .
C21 C16 C17 C22 -179.6(3) . .
C16 C17 C18 C19 -0.7(5) . .
C22 C17 C18 C19 -179.6(3) . .
C17 C18 C19 C20 -0.7(5) . .
C17 C18 C19 C23 179.1(3) . .
C18 C19 C20 C21 1.2(5) . .
C23 C19 C20 C21 -178.6(3) . .
C15 O7 C21 C20 7.3(6) . .
C15 O7 C21 C16 -174.5(3) . .
C19 C20 C21 O7 177.7(4) . .
C19 C20 C21 C16 -0.4(6) . .
C17 C16 C21 O7 -179.2(3) . .
C17 C16 C21 C20 -0.9(6) . .
Co1 O9 C22 O8 -7.7(4) 2_464 .
Co1 O9 C22 C17 171.3(3) 2_464 .
Co1 O8 C22 O9 7.0(4) 2_464 .
Co1 O8 C22 C17 -171.9(3) 2_464 .
C16 C17 C22 O9 171.6(4) . .
C18 C17 C22 O9 -9.4(5) . .
C16 C17 C22 O8 -9.4(6) . .
C18 C17 C22 O8 169.5(4) . .
C16 C17 C22 Co1 -133.3(17) . 2_464
C18 C17 C22 Co1 46(2) . 2_464
Co1 O11 C23 O10 -113.9(13) . .
Co1 O11 C23 C19 67.3(14) . .
Co2 O10 C23 O11 4.9(4) 2_576 .
Co2 O10 C23 C19 -176.2(3) 2_576 .
C18 C19 C23 O11 -10.7(5) . .
C20 C19 C23 O11 169.0(4) . .
C18 C19 C23 O10 170.4(3) . .
C20 C19 C23 O10 -9.8(5) . .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.500 150 23 ' '
