#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:29:24 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180476 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/45/7214593.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_7214593
loop_
_publ_author_name
'Wang, Hai-Ning'
'Liu, Fu-Hong'
'Zhu, Yan-Fei'
'Wang, Xin-Long'
'Chen, Zhi-Hui'
'Su, Zhong-Min'
_publ_section_title
;
 Synthesis and property investigation of two hexa-cobalt cluster based
 porous coordination polymers
;
_journal_issue                   37
_journal_name_full               CrystEngComm
_journal_page_first              7402
_journal_paper_doi               10.1039/c3ce41044g
_journal_volume                  15
_journal_year                    2013
_chemical_formula_moiety         'C68 H83 Co6 N7 O33'
_chemical_formula_sum            'C68 H83 Co6 N7 O33'
_chemical_formula_weight         1879.99
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 93.639(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.825(3)
_cell_length_b                   28.608(2)
_cell_length_c                   24.3720(12)
_cell_measurement_reflns_used    19194
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      18.91
_cell_measurement_theta_min      1.42
_cell_volume                     7532(2)
_computing_cell_refinement       'SMART (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1990)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97(Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.967
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0867
_diffrn_reflns_av_sigmaI/netI    0.0796
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            19194
_diffrn_reflns_theta_full        18.91
_diffrn_reflns_theta_max         18.91
_diffrn_reflns_theta_min         1.42
_exptl_absorpt_coefficient_mu    1.386
_exptl_absorpt_correction_T_max  0.857
_exptl_absorpt_correction_T_min  0.790
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Sheldrick, 1996)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.658
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3864
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.11
_refine_diff_density_max         2.216
_refine_diff_density_min         -1.347
_refine_diff_density_rms         0.240
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.142
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     603
_refine_ls_number_reflns         5778
_refine_ls_number_restraints     192
_refine_ls_restrained_S_all      1.130
_refine_ls_R_factor_all          0.1382
_refine_ls_R_factor_gt           0.1243
_refine_ls_shift/su_max          0.016
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.2700P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3321
_refine_ls_wR_factor_ref         0.3492
_reflns_number_gt                4514
_reflns_number_total             5778
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c3ce41044g.txt
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/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 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        7532.3(19)
_cod_original_sg_symbol_H-M      'P2(1)/c  '
_cod_database_code               7214593
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
C1 C 0.5057(16) 0.1857(6) 0.4071(6) 0.027(4) Uani 1 1 d U
C2 C 0.5422(13) 0.2342(5) 0.3958(5) 0.022(4) Uani 1 1 d U
C3 C 0.4841(14) 0.2705(5) 0.4190(6) 0.035(4) Uani 1 1 d .
H3 H 0.4223 0.2641 0.4427 0.042 Uiso 1 1 calc R
C4 C 0.5135(13) 0.3178(5) 0.4086(5) 0.020(4) Uani 1 1 d U
C5 C 0.4523(14) 0.3572(5) 0.4347(5) 0.017(4) Uani 1 1 d U
C6 C 0.6084(17) 0.3267(6) 0.3753(7) 0.058(5) Uani 1 1 d .
H6 H 0.6328 0.3573 0.3688 0.069 Uiso 1 1 calc R
C7 C 0.6696(16) 0.2883(6) 0.3506(7) 0.054(5) Uani 1 1 d U
H7 H 0.7299 0.2937 0.3258 0.065 Uiso 1 1 calc R
C8 C 0.6372(14) 0.2433(5) 0.3643(6) 0.037(4) Uani 1 1 d U
H8 H 0.6824 0.2184 0.3513 0.044 Uiso 1 1 calc R
C9 C -0.2918(12) 0.4531(4) 0.4954(5) 0.012(3) Uani 1 1 d U
C10 C 0.4732(14) 0.1436(5) 0.5619(6) 0.017(4) Uani 1 1 d U
C11 C 0.5411(12) 0.1826(5) 0.5933(5) 0.015(3) Uani 1 1 d U
C12 C 0.5058(14) 0.2290(5) 0.5814(6) 0.036(4) Uani 1 1 d .
H12 H 0.4379 0.2353 0.5572 0.043 Uiso 1 1 calc R
C13 C 0.5728(12) 0.2650(5) 0.6058(5) 0.014(3) Uani 1 1 d U
C14 C 0.5403(13) 0.3152(5) 0.5915(6) 0.030(4) Uani 1 1 d .
C15 C 0.6727(15) 0.2550(6) 0.6415(6) 0.041(4) Uani 1 1 d U
H15 H 0.7204 0.2796 0.6561 0.049 Uiso 1 1 calc R
C16 C 0.7045(16) 0.2108(6) 0.6562(8) 0.066(6) Uani 1 1 d .
H16 H 0.7682 0.2053 0.6828 0.079 Uiso 1 1 calc R
C17 C 0.6413(15) 0.1738(6) 0.6311(6) 0.044(5) Uani 1 1 d U
H17 H 0.6652 0.1433 0.6393 0.052 Uiso 1 1 calc R
C18 C -0.2911(13) 0.0473(5) 0.5076(6) 0.022(4) Uani 1 1 d U
C19 C 0.1548(11) 0.4391(4) 0.4685(5) 0.004(3) Uani 1 1 d U
C20 C 0.0269(13) 0.4519(5) 0.4475(6) 0.023(4) Uani 1 1 d U
C21 C -0.0736(12) 0.4450(5) 0.4781(5) 0.019(4) Uani 1 1 d U
H21 H -0.0601 0.4292 0.5113 0.023 Uiso 1 1 calc R
C22 C -0.1916(13) 0.4594(5) 0.4640(5) 0.022(4) Uani 1 1 d U
C23 C -0.2087(14) 0.4847(5) 0.4128(5) 0.028(4) Uani 1 1 d U
H23 H -0.2868 0.4943 0.3992 0.034 Uiso 1 1 calc R
C24 C -0.1064(17) 0.4938(6) 0.3852(7) 0.057(5) Uani 1 1 d U
H24 H -0.1174 0.5106 0.3525 0.068 Uiso 1 1 calc R
C25 C 0.0190(14) 0.4795(6) 0.4026(6) 0.045(5) Uani 1 1 d .
H25 H 0.0878 0.4886 0.3843 0.054 Uiso 1 1 calc R
C26 C 0.4335(13) 0.5123(6) 0.3518(6) 0.021(4) Uani 1 1 d U
C27 C 0.4480(13) 0.4871(3) 0.2995(4) 0.057(2) Uani 1 1 d G
C28 C 0.4720(14) 0.4389(3) 0.3000(4) 0.057(2) Uani 1 1 d G
C29 C 0.4920(14) 0.4156(3) 0.2508(4) 0.057(2) Uani 1 1 d G
C30 C 0.4880(13) 0.4403(3) 0.2011(4) 0.057(2) Uani 1 1 d G
C31 C 0.4639(13) 0.4885(3) 0.2006(4) 0.057(2) Uani 1 1 d G
C32 C 0.4439(13) 0.5119(3) 0.2498(4) 0.057(2) Uani 1 1 d G
C33 C 0.1612(12) 0.0588(4) 0.5329(5) 0.006(3) Uani 1 1 d U
C34 C 0.0479(14) 0.0470(5) 0.5517(6) 0.026(4) Uani 1 1 d U
C35 C 0.0485(16) 0.0190(6) 0.5976(7) 0.052(5) Uani 1 1 d .
H35 H 0.1219 0.0111 0.6172 0.062 Uiso 1 1 calc R
C36 C -0.0682(14) 0.0026(6) 0.6138(6) 0.043(5) Uani 1 1 d .
H36 H -0.0692 -0.0175 0.6438 0.052 Uiso 1 1 calc R
C37 C -0.1794(15) 0.0151(5) 0.5872(6) 0.032(4) Uani 1 1 d U
H37 H -0.2540 0.0075 0.6019 0.038 Uiso 1 1 calc R
C38 C -0.1776(13) 0.0389(5) 0.5387(5) 0.016(3) Uani 1 1 d U
C39 C -0.0664(12) 0.0557(4) 0.5229(5) 0.014(3) Uani 1 1 d U
H39 H -0.0667 0.0740 0.4913 0.017 Uiso 1 1 calc R
C40 C 0.4594(11) 0.5137(5) 0.1479(6) 0.012(3) Uani 1 1 d U
Co1 Co 0.43758(15) 0.04508(6) 0.53439(7) 0.0132(7) Uani 1 1 d .
Co2 Co 0.55823(17) 0.08942(6) 0.41980(7) 0.0177(8) Uani 1 1 d .
Co3 Co 0.42760(15) 0.45487(6) 0.46670(7) 0.0144(7) Uani 1 1 d .
Co4 Co 0.58076(16) 0.41126(6) 0.58232(7) 0.0174(7) Uani 1 1 d .
Co5 Co 0.28988(17) 0.13397(7) 0.46335(8) 0.0258(8) Uani 1 1 d .
Co6 Co 0.30223(17) 0.36546(7) 0.53666(8) 0.0279(8) Uani 1 1 d .
O1 O 0.1583(8) 0.0924(3) 0.4951(4) 0.033(3) Uani 1 1 d .
O2 O 0.2618(8) 0.0469(3) 0.5564(3) 0.025(2) Uani 1 1 d U
O3 O 0.4777(9) 0.4940(4) 0.1056(4) 0.035(3) Uani 1 1 d .
O4 O -0.3876(8) 0.0213(3) 0.5126(3) 0.016(2) Uani 1 1 d U
O5 O 0.4086(7) 0.0763(3) 0.4575(3) 0.012(2) Uani 1 1 d .
H5A H 0.3622 0.0534 0.4345 0.014 Uiso 1 1 calc R
O6 O 0.4377(10) 0.5569(3) 0.1519(4) 0.039(3) Uani 1 1 d .
O7 O 0.5766(10) 0.1555(4) 0.3997(4) 0.040(3) Uani 1 1 d .
O8 O 0.4048(12) 0.1818(4) 0.4287(5) 0.066(4) Uani 1 1 d .
O9 O -0.2931(8) 0.0777(3) 0.4675(4) 0.028(3) Uani 1 1 d .
O10 O 0.3784(11) 0.1545(3) 0.5384(4) 0.046(3) Uani 1 1 d .
O11 O 0.5182(8) 0.1033(3) 0.5679(4) 0.029(3) Uani 1 1 d .
O12 O 0.4522(8) 0.4929(3) 0.3944(4) 0.025(2) Uani 1 1 d .
O13 O 0.2476(7) 0.4517(3) 0.4457(3) 0.013(2) Uani 1 1 d U
O14 O 0.1600(9) 0.4070(4) 0.5074(4) 0.049(3) Uani 1 1 d .
O15 O 0.4326(14) 0.3183(5) 0.5686(5) 0.074(4) Uiso 1 1 d .
O16 O 0.6086(9) 0.3458(4) 0.6045(4) 0.031(3) Uani 1 1 d U
O17 O 0.5003(8) 0.3969(3) 0.4331(4) 0.024(2) Uani 1 1 d .
O18 O 0.3578(10) 0.3467(4) 0.4591(4) 0.043(3) Uani 1 1 d .
O19 O -0.3894(8) 0.4786(3) 0.4891(3) 0.009(2) Uani 1 1 d U
O20 O -0.2858(8) 0.4239(3) 0.5364(4) 0.024(2) Uani 1 1 d .
O21 O 0.4186(7) 0.4241(3) 0.5439(3) 0.013(2) Uani 1 1 d U
H21A H 0.3770 0.4468 0.5666 0.016 Uiso 1 1 calc R
O22 O 0.4063(9) 0.5555(3) 0.3467(4) 0.032(3) Uani 1 1 d .
O1W O 0.1563(13) 0.1866(5) 0.4702(6) 0.090(5) Uani 1 1 d .
H1A H 0.0788 0.1789 0.4464 0.108 Uiso 1 1 d R
H1B H 0.1880 0.2174 0.4557 0.108 Uiso 1 1 d R
O2W O 0.2076(14) 0.1189(5) 0.3825(5) 0.083(4) Uani 1 1 d .
H2A H 0.2131 0.0833 0.3747 0.100 Uiso 1 1 d R
H2B H 0.2561 0.1341 0.3532 0.100 Uiso 1 1 d R
O3W O 0.1654(16) 0.3124(5) 0.5314(6) 0.103(5) Uani 1 1 d .
H3A H 0.1012 0.3198 0.5571 0.124 Uiso 1 1 d R
H3B H 0.2069 0.2814 0.5459 0.124 Uiso 1 1 d R
O4W O 0.2558(13) 0.3805(5) 0.6195(5) 0.083(4) Uani 1 1 d .
H4A H 0.2644 0.4157 0.6277 0.100 Uiso 1 1 d R
H4B H 0.3158 0.3647 0.6472 0.100 Uiso 1 1 d 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'
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
O7 C1 O8 126.7(15) . .
O7 C1 C2 118.5(15) . .
O8 C1 C2 114.4(15) . .
C8 C2 C3 118.8(14) . .
C8 C2 C1 120.7(14) . .
C3 C2 C1 120.4(14) . .
C2 C3 C4 122.7(14) . .
C6 C4 C3 118.0(14) . .
C6 C4 C5 119.1(14) . .
C3 C4 C5 122.8(13) . .
O18 C5 O17 126.0(13) . .
O18 C5 C4 115.1(14) . .
O17 C5 C4 118.8(13) . .
C4 C6 C7 119.3(15) . .
C8 C7 C6 118.7(16) . .
C2 C8 C7 122.1(15) . .
O19 C9 O20 117.2(11) . .
O19 C9 C22 122.0(12) . .
O20 C9 C22 120.4(12) . .
O10 C10 O11 128.0(14) . .
O10 C10 C11 115.3(14) . .
O11 C10 C11 116.4(13) . .
C12 C11 C17 119.5(13) . .
C12 C11 C10 118.3(12) . .
C17 C11 C10 122.1(13) . .
C13 C12 C11 119.3(13) . .
C15 C13 C12 119.4(13) . .
C15 C13 C14 120.3(13) . .
C12 C13 C14 120.2(12) . .
O16 C14 O15 127.9(15) . .
O16 C14 C13 120.8(13) . .
O15 C14 C13 111.2(13) . .
C16 C15 C13 122.6(15) . .
C15 C16 C17 119.2(15) . .
C16 C17 C11 119.7(15) . .
O4 C18 O9 118.5(12) . .
O4 C18 C38 121.8(13) . .
O9 C18 C38 118.9(12) . .
O13 C19 O14 122.0(11) . .
O13 C19 C20 122.6(11) . .
O14 C19 C20 114.5(11) . .
C25 C20 C21 121.0(13) . .
C25 C20 C19 115.6(12) . .
C21 C20 C19 121.9(12) . .
C20 C21 C22 125.5(12) . .
C21 C22 C9 125.3(12) . .
C21 C22 C23 115.8(13) . .
C9 C22 C23 118.8(13) . .
C24 C23 C22 117.5(14) . .
C23 C24 C25 125.1(16) . .
C20 C25 C24 114.4(14) . .
O12 C26 O22 124.4(13) . .
O12 C26 C27 120.4(14) . .
O22 C26 C27 115.2(13) . .
C28 C27 C32 120.0 . .
C28 C27 C26 120.1(9) . .
C32 C27 C26 119.9(9) . .
C29 C28 C27 120.0 . .
C28 C29 C30 120.0 . .
C29 C30 C31 120.0 . .
C32 C31 C30 120.0 . .
C32 C31 C40 120.9(9) . .
C30 C31 C40 119.1(9) . .
C27 C32 C31 120.0 . .
O2 C33 O1 119.8(11) . .
O2 C33 C34 123.4(12) . .
O1 C33 C34 115.2(12) . .
C35 C34 C33 117.1(14) . .
C35 C34 C39 118.0(14) . .
C33 C34 C39 124.2(12) . .
C34 C35 C36 117.3(14) . .
C37 C36 C35 123.1(14) . .
C38 C37 C36 118.5(14) . .
C39 C38 C37 118.6(13) . .
C39 C38 C18 122.3(12) . .
C37 C38 C18 119.1(13) . .
C38 C39 C34 123.7(12) . .
O3 C40 O6 124.4(12) . .
O3 C40 C31 121.3(13) . .
O6 C40 C31 114.2(12) . .
O2 Co1 O11 105.2(4) . .
O2 Co1 O5 97.9(3) . .
O11 Co1 O5 92.7(4) . .
O2 Co1 O3 86.7(4) . 4_566
O11 Co1 O3 92.5(4) . 4_566
O5 Co1 O3 171.9(4) . 4_566
O2 Co1 O4 162.7(4) . 1_655
O11 Co1 O4 89.8(4) . 1_655
O5 Co1 O4 89.9(3) . 1_655
O3 Co1 O4 83.9(4) 4_566 1_655
O2 Co1 O4 87.5(3) . 3_556
O11 Co1 O4 167.2(4) . 3_556
O5 Co1 O4 83.6(3) . 3_556
O3 Co1 O4 90.1(3) 4_566 3_556
O4 Co1 O4 78.0(4) 1_655 3_556
O5 Co2 O9 111.4(4) . 1_655
O5 Co2 O7 113.7(4) . .
O9 Co2 O7 102.8(4) 1_655 .
O5 Co2 O6 113.0(4) . 2_645
O9 Co2 O6 112.3(4) 1_655 2_645
O7 Co2 O6 102.9(4) . 2_645
O13 Co3 O17 104.9(4) . .
O13 Co3 O21 96.4(3) . .
O17 Co3 O21 93.5(3) . .
O13 Co3 O12 89.0(3) . .
O17 Co3 O12 90.7(4) . .
O21 Co3 O12 172.1(3) . .
O13 Co3 O19 164.1(3) . 1_655
O17 Co3 O19 89.2(3) . 1_655
O21 Co3 O19 90.0(3) . 1_655
O12 Co3 O19 83.3(3) . 1_655
O13 Co3 O19 87.4(3) . 3_566
O17 Co3 O19 167.6(4) . 3_566
O21 Co3 O19 84.5(3) . 3_566
O12 Co3 O19 90.0(3) . 3_566
O19 Co3 O19 78.7(3) 1_655 3_566
O20 Co4 O16 103.4(4) 1_655 .
O20 Co4 O21 111.6(4) 1_655 .
O16 Co4 O21 115.1(4) . .
O20 Co4 O22 114.0(4) 1_655 3_666
O16 Co4 O22 102.6(4) . 3_666
O21 Co4 O22 109.8(4) . 3_666
O1 Co5 O8 172.8(4) . .
O1 Co5 O10 97.1(4) . .
O8 Co5 O10 85.3(5) . .
O1 Co5 O5 90.7(3) . .
O8 Co5 O5 96.1(4) . .
O10 Co5 O5 91.8(4) . .
O1 Co5 O1W 83.6(5) . .
O8 Co5 O1W 89.6(5) . .
O10 Co5 O1W 90.5(5) . .
O5 Co5 O1W 174.1(5) . .
O1 Co5 O2W 88.4(5) . .
O8 Co5 O2W 89.0(6) . .
O10 Co5 O2W 174.2(5) . .
O5 Co5 O2W 90.0(4) . .
O1W Co5 O2W 88.2(5) . .
O14 Co6 O15 174.0(5) . .
O14 Co6 O18 95.1(4) . .
O15 Co6 O18 86.8(5) . .
O14 Co6 O21 89.9(4) . .
O15 Co6 O21 95.7(5) . .
O18 Co6 O21 94.4(4) . .
O14 Co6 O3W 83.5(6) . .
O15 Co6 O3W 90.7(6) . .
O18 Co6 O3W 90.1(5) . .
O21 Co6 O3W 172.4(5) . .
O14 Co6 O4W 89.7(5) . .
O15 Co6 O4W 88.4(5) . .
O18 Co6 O4W 175.1(5) . .
O21 Co6 O4W 86.3(4) . .
O3W Co6 O4W 89.8(6) . .
C33 O1 Co5 134.1(8) . .
C33 O2 Co1 134.4(8) . .
C40 O3 Co1 158.1(9) . 4_565
C18 O4 Co1 125.4(8) . 1_455
C18 O4 Co1 127.1(8) . 3_556
Co1 O4 Co1 102.0(4) 1_455 3_556
Co2 O5 Co1 115.1(4) . .
Co2 O5 Co5 114.3(4) . .
Co1 O5 Co5 109.5(4) . .
C40 O6 Co2 112.1(9) . 2_655
C1 O7 Co2 126.1(10) . .
C1 O8 Co5 142.9(11) . .
C18 O9 Co2 122.2(9) . 1_455
C10 O10 Co5 133.0(10) . .
C10 O11 Co1 123.6(9) . .
C26 O12 Co3 162.6(9) . .
C19 O13 Co3 135.4(8) . .
C19 O14 Co6 130.9(8) . .
C14 O15 Co6 143.1(12) . .
C14 O16 Co4 123.6(10) . .
C5 O17 Co3 123.8(9) . .
C5 O18 Co6 131.2(9) . .
C9 O19 Co3 126.5(7) . 1_455
C9 O19 Co3 126.9(7) . 3_566
Co3 O19 Co3 101.3(3) 1_455 3_566
C9 O20 Co4 124.5(8) . 1_455
Co4 O21 Co3 114.6(4) . .
Co4 O21 Co6 113.7(4) . .
Co3 O21 Co6 108.9(4) . .
C26 O22 Co4 112.3(9) . 3_666
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O7 1.175(18) .
C1 O8 1.247(19) .
C1 C2 1.48(2) .
C2 C8 1.35(2) .
C2 C3 1.35(2) .
C3 C4 1.42(2) .
C4 C6 1.37(2) .
C4 C5 1.47(2) .
C5 O18 1.253(17) .
C5 O17 1.249(16) .
C6 C7 1.43(2) .
C7 C8 1.38(2) .
C9 O19 1.284(14) .
C9 O20 1.302(15) .
C9 C22 1.378(19) .
C10 O10 1.184(17) .
C10 O11 1.256(17) .
C10 C11 1.52(2) .
C11 C12 1.41(2) .
C11 C17 1.40(2) .
C12 C13 1.373(19) .
C13 C15 1.37(2) .
C13 C14 1.51(2) .
C14 O16 1.175(16) .
C14 O15 1.264(18) .
C15 C16 1.35(2) .
C16 C17 1.38(2) .
C18 O4 1.294(15) .
C18 O9 1.307(16) .
C18 C38 1.423(19) .
C19 O13 1.231(14) .
C19 O14 1.319(15) .
C19 C20 1.492(19) .
C20 C25 1.35(2) .
C20 C21 1.372(19) .
C21 C22 1.365(19) .
C22 C23 1.445(19) .
C23 C24 1.36(2) .
C24 C25 1.46(2) .
C26 O12 1.184(16) .
C26 O22 1.273(17) .
C26 C27 1.482(17) .
C27 C28 1.402(7) .
C27 C32 1.402(7) .
C28 C29 1.402(7) .
C29 C30 1.402(7) .
C30 C31 1.402(7) .
C31 C32 1.402(7) .
C31 C40 1.470(16) .
C33 O2 1.245(14) .
C33 O1 1.329(15) .
C33 C34 1.379(19) .
C34 C35 1.37(2) .
C34 C39 1.406(19) .
C35 C36 1.43(2) .
C36 C37 1.38(2) .
C37 C38 1.366(18) .
C38 C39 1.374(18) .
C40 O3 1.203(15) .
C40 O6 1.263(16) .
Co1 O2 2.010(9) .
Co1 O11 2.028(9) .
Co1 O5 2.082(8) .
Co1 O3 2.087(10) 4_566
Co1 O4 2.111(8) 1_655
Co1 O4 2.265(8) 3_556
Co2 O5 1.949(8) .
Co2 O9 1.953(9) 1_655
Co2 O7 1.967(10) .
Co2 O6 1.982(9) 2_645
Co3 O13 1.986(8) .
Co3 O17 2.032(8) .
Co3 O21 2.084(8) .
Co3 O12 2.102(9) .
Co3 O19 2.132(8) 1_655
Co3 O19 2.239(8) 3_566
Co4 O20 1.917(9) 1_655
Co4 O16 1.966(10) .
Co4 O21 1.972(8) .
Co4 O22 1.971(9) 3_666
Co5 O1 2.045(9) .
Co5 O8 2.066(12) .
Co5 O10 2.096(10) .
Co5 O5 2.102(8) .
Co5 O1W 2.102(13) .
Co5 O2W 2.154(12) .
Co6 O14 2.038(10) .
Co6 O15 2.069(15) .
Co6 O18 2.090(11) .
Co6 O21 2.099(8) .
Co6 O3W 2.119(15) .
Co6 O4W 2.154(13) .
O3 Co1 2.087(10) 4_565
O4 Co1 2.111(8) 1_455
O4 Co1 2.265(8) 3_556
O6 Co2 1.982(9) 2_655
O9 Co2 1.953(9) 1_455
O19 Co3 2.132(8) 1_455
O19 Co3 2.239(8) 3_566
O20 Co4 1.917(9) 1_455
O22 Co4 1.971(9) 3_666
