#------------------------------------------------------------------------------
#$Date: 2017-01-09 05:22:41 +0200 (Mon, 09 Jan 2017) $
#$Revision: 190141 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/11/7041190.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_7041190
loop_
_publ_author_name
'Wang, Zhao-Xi'
'Wu, Lin-Fei'
'Zhang, Xuan'
'Xing, Feifei'
'Li, Ming-Xing'
_publ_section_title
;
 Structural diversity and magnetic properties of six cobalt coordination
 polymers based on 2,2'-phosphinico-dibenzoate ligand.
;
_journal_issue                   48
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              19500
_journal_page_last               19510
_journal_paper_doi               10.1039/c6dt04010a
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C84 H88 Co10 O57 P6'
_chemical_formula_weight         2784.66
_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
_audit_update_record
;
2014-07-16 deposited with the CCDC.
2016-11-14 downloaded from the CCDC.
;
_cell_angle_alpha                90.576(2)
_cell_angle_beta                 102.133(2)
_cell_angle_gamma                102.622(2)
_cell_formula_units_Z            2
_cell_length_a                   14.121(2)
_cell_length_b                   16.258(2)
_cell_length_c                   22.776(3)
_cell_measurement_temperature    296(2)
_cell_volume                     4980.0(11)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_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  0.0198
_diffrn_reflns_av_sigmaI/netI    0.0432
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            26087
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         1.85
_exptl_absorpt_coefficient_mu    1.825
_exptl_absorpt_correction_T_max  0.694
_exptl_absorpt_correction_T_min  0.640
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker (2000)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.857
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2816
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.605
_refine_diff_density_min         -0.655
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1432
_refine_ls_number_reflns         17360
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0555
_refine_ls_R_factor_gt           0.0435
_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)+(0.0293P)²+10.4023P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0894
_refine_ls_wR_factor_ref         0.0987
_reflns_number_gt                14401
_reflns_number_total             17360
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6dt04010a2.cif
_cod_data_source_block           1
_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/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_absorpt_correction_type' value 'multi_scan' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/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 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7041190--7041195.cif.
;
_cod_original_cell_volume        4979.9(13)
_cod_original_sg_symbol_H-M      'P-1   '
_cod_database_code               7041190
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
C1 C 0.5743(3) 0.6692(3) 0.29893(19) 0.0242(9) Uani 1 1 d .
C2 C 0.6452(3) 0.7549(2) 0.30933(18) 0.0228(9) Uani 1 1 d .
C3 C 0.6604(3) 0.7971(3) 0.3650(2) 0.0328(10) Uani 1 1 d .
H3 H 0.6320 0.7699 0.3950 0.039 Uiso 1 1 calc R
C4 C 0.7166(4) 0.8784(3) 0.3766(2) 0.0403(12) Uani 1 1 d .
H4 H 0.7250 0.9065 0.4137 0.048 Uiso 1 1 calc R
C5 C 0.7606(4) 0.9179(3) 0.3324(2) 0.0390(12) Uani 1 1 d .
H5 H 0.7977 0.9732 0.3396 0.047 Uiso 1 1 calc R
C6 C 0.7498(3) 0.8757(3) 0.2777(2) 0.0302(10) Uani 1 1 d .
H6 H 0.7816 0.9025 0.2489 0.036 Uiso 1 1 calc R
C7 C 0.6922(3) 0.7940(2) 0.26468(18) 0.0229(9) Uani 1 1 d .
C8 C 0.7699(3) 0.8041(2) 0.15325(17) 0.0196(8) Uani 1 1 d .
C9 C 0.7292(3) 0.8497(3) 0.10671(19) 0.0264(9) Uani 1 1 d .
H9 H 0.6635 0.8539 0.1024 0.032 Uiso 1 1 calc R
C10 C 0.7840(3) 0.8888(3) 0.0668(2) 0.0309(10) Uani 1 1 d .
H10 H 0.7559 0.9205 0.0370 0.037 Uiso 1 1 calc R
C11 C 0.8806(3) 0.8803(3) 0.0715(2) 0.0329(11) Uani 1 1 d .
H11 H 0.9167 0.9039 0.0436 0.039 Uiso 1 1 calc R
C12 C 0.9233(3) 0.8367(3) 0.11786(19) 0.0290(10) Uani 1 1 d .
H12 H 0.9887 0.8322 0.1213 0.035 Uiso 1 1 calc R
C13 C 0.8702(3) 0.7996(2) 0.15930(18) 0.0212(9) Uani 1 1 d .
C14 C 0.9249(3) 0.7584(3) 0.21019(19) 0.0242(9) Uani 1 1 d .
C15 C 0.0941(3) 0.5975(2) 0.12960(18) 0.0207(9) Uani 1 1 d .
C16 C 0.1020(3) 0.6719(2) 0.09241(18) 0.0229(9) Uani 1 1 d .
C17 C 0.0332(4) 0.6666(3) 0.0381(2) 0.0362(11) Uani 1 1 d .
H17 H -0.0139 0.6165 0.0260 0.043 Uiso 1 1 calc R
C18 C 0.0333(4) 0.7340(3) 0.0020(2) 0.0400(12) Uani 1 1 d .
H18 H -0.0147 0.7304 -0.0334 0.048 Uiso 1 1 calc R
C19 C 0.1062(4) 0.8069(3) 0.01930(19) 0.0337(11) Uani 1 1 d .
H19 H 0.1084 0.8523 -0.0053 0.040 Uiso 1 1 calc R
C20 C 0.1756(3) 0.8133(3) 0.07257(18) 0.0253(9) Uani 1 1 d .
H20 H 0.2236 0.8632 0.0833 0.030 Uiso 1 1 calc R
C21 C 0.1757(3) 0.7467(2) 0.11085(17) 0.0189(8) Uani 1 1 d .
C22 C 0.3560(3) 0.8624(2) 0.17899(18) 0.0235(9) Uani 1 1 d .
C23 C 0.3629(4) 0.9260(3) 0.2223(2) 0.0349(11) Uani 1 1 d .
H23 H 0.3204 0.9171 0.2489 0.042 Uiso 1 1 calc R
C24 C 0.4319(4) 1.0021(3) 0.2265(2) 0.0481(14) Uani 1 1 d .
H24 H 0.4364 1.0432 0.2562 0.058 Uiso 1 1 calc R
C25 C 0.4936(4) 1.0166(3) 0.1867(3) 0.0506(15) Uani 1 1 d .
H25 H 0.5411 1.0671 0.1901 0.061 Uiso 1 1 calc R
C26 C 0.4852(4) 0.9563(3) 0.1416(2) 0.0403(12) Uani 1 1 d .
H26 H 0.5256 0.9677 0.1139 0.048 Uiso 1 1 calc R
C27 C 0.4179(3) 0.8793(3) 0.1368(2) 0.0285(10) Uani 1 1 d .
C28 C 0.4084(3) 0.8191(3) 0.0845(2) 0.0325(11) Uani 1 1 d .
C29 C 0.1418(3) 0.8035(2) 0.37613(18) 0.0242(9) Uani 1 1 d .
C30 C 0.2495(3) 0.8364(3) 0.37392(18) 0.0249(9) Uani 1 1 d .
C31 C 0.3156(3) 0.7864(2) 0.36664(17) 0.0187(8) Uani 1 1 d .
C32 C 0.4129(3) 0.8272(3) 0.36493(19) 0.0263(9) Uani 1 1 d .
H32 H 0.4578 0.7948 0.3601 0.032 Uiso 1 1 calc R
C33 C 0.4443(3) 0.9139(3) 0.3702(2) 0.0336(11) Uani 1 1 d .
H33 H 0.5088 0.9397 0.3677 0.040 Uiso 1 1 calc R
C34 C 0.3787(4) 0.9618(3) 0.3791(2) 0.0399(12) Uani 1 1 d .
H34 H 0.3996 1.0203 0.3835 0.048 Uiso 1 1 calc R
C35 C 0.2821(3) 0.9237(3) 0.3815(2) 0.0340(11) Uani 1 1 d .
H35 H 0.2388 0.9566 0.3882 0.041 Uiso 1 1 calc R
C36 C 0.2451(3) 0.6289(2) 0.42467(17) 0.0201(8) Uani 1 1 d .
C37 C 0.2392(3) 0.6824(3) 0.47129(19) 0.0280(10) Uani 1 1 d .
H37 H 0.2595 0.7404 0.4689 0.034 Uiso 1 1 calc R
C38 C 0.2041(4) 0.6519(3) 0.5208(2) 0.0398(12) Uani 1 1 d .
H38 H 0.2025 0.6889 0.5519 0.048 Uiso 1 1 calc R
C39 C 0.1715(4) 0.5665(3) 0.5238(2) 0.0456(13) Uani 1 1 d .
H39 H 0.1465 0.5457 0.5567 0.055 Uiso 1 1 calc R
C40 C 0.1752(4) 0.5110(3) 0.4784(2) 0.0377(12) Uani 1 1 d .
H40 H 0.1514 0.4533 0.4805 0.045 Uiso 1 1 calc R
C41 C 0.2146(3) 0.5409(3) 0.42941(18) 0.0244(9) Uani 1 1 d .
C42 C 0.2171(3) 0.4732(2) 0.38388(18) 0.0221(9) Uani 1 1 d .
C43 C -0.0395(3) 0.3180(3) 0.20627(19) 0.0242(9) Uani 1 1 d .
C44 C -0.1113(3) 0.2336(3) 0.19727(19) 0.0244(9) Uani 1 1 d .
C45 C -0.1303(3) 0.1903(3) 0.1414(2) 0.0319(10) Uani 1 1 d .
H45 H -0.1038 0.2165 0.1105 0.038 Uiso 1 1 calc R
C46 C -0.1876(4) 0.1092(3) 0.1314(2) 0.0392(12) Uani 1 1 d .
H46 H -0.1990 0.0810 0.0939 0.047 Uiso 1 1 calc R
C47 C -0.2278(4) 0.0699(3) 0.1760(2) 0.0382(12) Uani 1 1 d .
H47 H -0.2650 0.0145 0.1696 0.046 Uiso 1 1 calc R
C48 C -0.2128(3) 0.1133(3) 0.2313(2) 0.0313(10) Uani 1 1 d .
H48 H -0.2422 0.0869 0.2611 0.038 Uiso 1 1 calc R
C49 C -0.1551(3) 0.1948(2) 0.24304(18) 0.0211(9) Uani 1 1 d .
C50 C -0.2330(3) 0.1851(2) 0.35357(18) 0.0209(9) Uani 1 1 d .
C51 C -0.1902(3) 0.1458(3) 0.40333(18) 0.0267(9) Uani 1 1 d .
H51 H -0.1225 0.1474 0.4106 0.032 Uiso 1 1 calc R
C52 C -0.2457(3) 0.1046(3) 0.44222(19) 0.0311(10) Uani 1 1 d .
H52 H -0.2155 0.0788 0.4749 0.037 Uiso 1 1 calc R
C53 C -0.3454(3) 0.1024(3) 0.4320(2) 0.0342(11) Uani 1 1 d .
H53 H -0.3830 0.0759 0.4583 0.041 Uiso 1 1 calc R
C54 C -0.3904(3) 0.1397(3) 0.3823(2) 0.0296(10) Uani 1 1 d .
H54 H -0.4581 0.1378 0.3758 0.036 Uiso 1 1 calc R
C55 C -0.3367(3) 0.1794(2) 0.34240(18) 0.0213(9) Uani 1 1 d .
C56 C -0.3940(3) 0.2157(2) 0.28888(19) 0.0220(9) Uani 1 1 d .
C57 C 0.4491(3) 0.3680(2) 0.36399(18) 0.0208(9) Uani 1 1 d .
C58 C 0.4356(3) 0.2922(2) 0.40057(17) 0.0203(8) Uani 1 1 d .
C59 C 0.5058(3) 0.2921(3) 0.45260(19) 0.0310(10) Uani 1 1 d .
H59 H 0.5604 0.3374 0.4630 0.037 Uiso 1 1 calc R
C60 C 0.4959(4) 0.2251(3) 0.4896(2) 0.0386(12) Uani 1 1 d .
H60 H 0.5438 0.2252 0.5246 0.046 Uiso 1 1 calc R
C61 C 0.4148(3) 0.1588(3) 0.4745(2) 0.0333(11) Uani 1 1 d .
H61 H 0.4072 0.1141 0.4995 0.040 Uiso 1 1 calc R
C62 C 0.3443(3) 0.1582(3) 0.42203(19) 0.0256(9) Uani 1 1 d .
H62 H 0.2900 0.1125 0.4122 0.031 Uiso 1 1 calc R
C63 C 0.3524(3) 0.2244(2) 0.38335(17) 0.0201(8) Uani 1 1 d .
C64 C 0.1637(3) 0.1187(2) 0.31524(18) 0.0222(9) Uani 1 1 d .
C65 C 0.1504(3) 0.0577(3) 0.2696(2) 0.0356(11) Uani 1 1 d .
H65 H 0.1899 0.0672 0.2413 0.043 Uiso 1 1 calc R
C66 C 0.0795(4) -0.0173(3) 0.2652(2) 0.0483(14) Uani 1 1 d .
H66 H 0.0710 -0.0573 0.2339 0.058 Uiso 1 1 calc R
C67 C 0.0216(4) -0.0322(3) 0.3072(3) 0.0497(14) Uani 1 1 d .
H67 H -0.0264 -0.0822 0.3044 0.060 Uiso 1 1 calc R
C68 C 0.0349(3) 0.0269(3) 0.3534(2) 0.0410(12) Uani 1 1 d .
H68 H -0.0039 0.0159 0.3820 0.049 Uiso 1 1 calc R
C69 C 0.1048(3) 0.1025(3) 0.3586(2) 0.0280(10) Uani 1 1 d .
C70 C 0.1168(3) 0.1628(3) 0.4118(2) 0.0344(11) Uani 1 1 d .
C71 C 0.3281(3) 0.5121(2) 0.12224(17) 0.0208(9) Uani 1 1 d .
C72 C 0.3266(3) 0.4488(2) 0.07331(18) 0.0242(9) Uani 1 1 d .
C73 C 0.3651(4) 0.4819(3) 0.0253(2) 0.0407(12) Uani 1 1 d .
H73 H 0.3899 0.5398 0.0254 0.049 Uiso 1 1 calc R
C74 C 0.3673(6) 0.4304(3) -0.0227(2) 0.068(2) Uani 1 1 d .
H74 H 0.3933 0.4535 -0.0547 0.082 Uiso 1 1 calc R
C75 C 0.3311(6) 0.3455(4) -0.0229(2) 0.076(2) Uani 1 1 d .
H75 H 0.3324 0.3106 -0.0551 0.091 Uiso 1 1 calc R
C76 C 0.2925(4) 0.3109(3) 0.0248(2) 0.0484(15) Uani 1 1 d .
H76 H 0.2678 0.2529 0.0241 0.058 Uiso 1 1 calc R
C77 C 0.2901(3) 0.3613(2) 0.07355(18) 0.0257(9) Uani 1 1 d .
C78 C 0.2129(3) 0.1985(2) 0.12320(17) 0.0222(9) Uani 1 1 d .
C79 C 0.1138(3) 0.1588(3) 0.1218(2) 0.0293(10) Uani 1 1 d .
H79 H 0.0692 0.1914 0.1266 0.035 Uiso 1 1 calc R
C80 C 0.0811(4) 0.0723(3) 0.1135(2) 0.0385(12) Uani 1 1 d .
H80 H 0.0153 0.0471 0.1136 0.046 Uiso 1 1 calc R
C81 C 0.1456(4) 0.0237(3) 0.1052(2) 0.0419(13) Uani 1 1 d .
H81 H 0.1234 -0.0346 0.0993 0.050 Uiso 1 1 calc R
C82 C 0.2433(3) 0.0608(3) 0.1056(2) 0.0361(11) Uani 1 1 d .
H82 H 0.2861 0.0272 0.0991 0.043 Uiso 1 1 calc R
C83 C 0.2788(3) 0.1476(2) 0.11566(18) 0.0231(9) Uani 1 1 d .
C84 C 0.3874(3) 0.1788(3) 0.11582(19) 0.0251(9) Uani 1 1 d .
Co1 Co -0.06081(4) 0.68926(4) 0.33173(2) 0.02474(13) Uani 1 1 d .
Co2 Co 0.10730(4) 0.69137(3) 0.25642(2) 0.02015(12) Uani 1 1 d .
Co3 Co 0.44832(4) 0.69320(3) 0.16820(2) 0.02073(12) Uani 1 1 d .
Co4 Co 0.44588(4) 0.54966(3) 0.36198(3) 0.02340(13) Uani 1 1 d .
Co5 Co 0.25988(4) 0.57753(3) 0.23116(2) 0.01902(12) Uani 1 1 d .
Co6 Co 0.09881(4) 0.43144(3) 0.15414(3) 0.02340(13) Uani 1 1 d .
Co7 Co 0.28666(4) 0.40465(3) 0.27331(2) 0.01907(12) Uani 1 1 d .
Co8 Co 0.08889(4) 0.29482(3) 0.33391(2) 0.02060(12) Uani 1 1 d .
Co9 Co 0.41961(4) 0.27835(3) 0.23850(2) 0.01944(12) Uani 1 1 d .
Co10 Co 0.59465(4) 0.28997(3) 0.16894(2) 0.02340(13) Uani 1 1 d .
O1 O 0.5155(2) 0.64936(18) 0.24833(13) 0.0297(7) Uani 1 1 d .
O2 O 0.5763(2) 0.62254(18) 0.34269(13) 0.0303(7) Uani 1 1 d .
O3 O 0.5819(2) 0.73982(18) 0.15388(13) 0.0283(7) Uani 1 1 d .
O4 O 0.7067(2) 0.65424(17) 0.20148(13) 0.0258(6) Uani 1 1 d .
O5 O 0.8971(2) 0.75571(18) 0.25922(12) 0.0260(6) Uani 1 1 d .
O6 O 0.9971(2) 0.7317(2) 0.20036(13) 0.0337(7) Uani 1 1 d .
O7 O 0.0609(2) 0.52476(17) 0.10436(12) 0.0280(7) Uani 1 1 d .
O8 O 0.12417(19) 0.60903(17) 0.18633(12) 0.0214(6) Uani 1 1 d .
O9 O 0.21124(19) 0.78159(16) 0.23081(12) 0.0209(6) Uani 1 1 d .
O10 O 0.32109(19) 0.69357(16) 0.19779(12) 0.0197(6) Uani 1 1 d .
O11 O 0.4216(4) 0.8474(2) 0.03626(18) 0.0694(13) Uani 1 1 d .
O12 O 0.3847(2) 0.74026(18) 0.09203(13) 0.0281(7) Uani 1 1 d .
O13 O 0.1373(2) 0.41721(17) 0.36836(13) 0.0278(7) Uani 1 1 d .
O14 O 0.2940(2) 0.47228(17) 0.36473(13) 0.0254(6) Uani 1 1 d .
O15 O 0.3947(2) 0.65394(17) 0.36579(13) 0.0254(6) Uani 1 1 d .
O16 O 0.21865(19) 0.63391(16) 0.30357(11) 0.0192(6) Uani 1 1 d .
O17 O 0.0901(2) 0.74299(17) 0.33722(12) 0.0257(6) Uani 1 1 d .
O18 O 0.1075(2) 0.8362(2) 0.41279(15) 0.0437(9) Uani 1 1 d .
O19 O -0.0360(2) 0.36263(19) 0.16137(13) 0.0304(7) Uani 1 1 d .
O20 O 0.0164(2) 0.34004(18) 0.25707(13) 0.0296(7) Uani 1 1 d .
O21 O -0.1734(2) 0.33501(16) 0.30498(13) 0.0244(6) Uani 1 1 d .
O22 O -0.0441(2) 0.25513(18) 0.35402(12) 0.0262(6) Uani 1 1 d .
O23 O -0.3593(2) 0.22511(17) 0.24236(12) 0.0248(6) Uani 1 1 d .
O24 O -0.4750(2) 0.2308(2) 0.29425(13) 0.0359(8) Uani 1 1 d .
O25 O 0.0943(4) 0.1362(2) 0.45843(18) 0.0755(14) Uani 1 1 d .
O26 O 0.1528(2) 0.24122(18) 0.40618(13) 0.0282(7) Uani 1 1 d .
O27 O 0.21143(19) 0.28890(16) 0.30043(12) 0.0197(6) Uani 1 1 d .
O28 O 0.3094(2) 0.19289(16) 0.26282(12) 0.0218(6) Uani 1 1 d .
O29 O 0.40883(19) 0.35785(16) 0.30790(12) 0.0208(6) Uani 1 1 d .
O30 O 0.4937(2) 0.43792(18) 0.38832(14) 0.0366(8) Uani 1 1 d .
O31 O 0.4054(2) 0.57110(17) 0.13476(13) 0.0281(7) Uani 1 1 d .
O32 O 0.2569(2) 0.50698(16) 0.14783(12) 0.0236(6) Uani 1 1 d .
O33 O 0.1380(2) 0.33210(17) 0.12964(13) 0.0286(7) Uani 1 1 d .
O34 O 0.31197(19) 0.34395(16) 0.19383(11) 0.0195(6) Uani 1 1 d .
O35 O 0.4213(2) 0.1494(2) 0.07708(15) 0.0445(9) Uani 1 1 d .
O36 O 0.4408(2) 0.23322(17) 0.15843(12) 0.0252(6) Uani 1 1 d .
O37 O 0.37326(19) 0.52326(15) 0.27305(12) 0.0196(6) Uani 1 1 d .
H37A H 0.4147 0.5232 0.2509 0.023 Uiso 1 1 d R
O38 O -0.0171(2) 0.59673(17) 0.27531(13) 0.0271(7) Uani 1 1 d .
H38A H 0.0012 0.5567 0.2950 0.032 Uiso 1 1 d R
H38B H -0.0615 0.5774 0.2440 0.032 Uiso 1 1 d R
O39 O 0.17310(19) 0.45892(16) 0.23838(12) 0.0208(6) Uani 1 1 d .
H39A H 0.1348 0.4601 0.2624 0.025 Uiso 1 1 d R
O40 O -0.0883(3) 0.7787(2) 0.39062(14) 0.0411(8) Uani 1 1 d .
H40A H -0.0261 0.8133 0.4118 0.062 Uiso 1 1 d R
H40B H -0.1275 0.8135 0.3676 0.062 Uiso 1 1 d R
O41 O -0.2049(2) 0.6171(2) 0.31134(15) 0.0422(8) Uani 1 1 d .
H41A H -0.2401 0.6340 0.2743 0.063 Uiso 1 1 d R
H41B H -0.2034 0.5586 0.3070 0.063 Uiso 1 1 d R
O42 O -0.0303(3) 0.6226(2) 0.40682(14) 0.0427(8) Uani 1 1 d .
H42A H 0.0264 0.6552 0.4348 0.064 Uiso 1 1 d R
H42B H -0.0867 0.6117 0.4252 0.064 Uiso 1 1 d R
O43 O 0.5159(3) 0.5735(2) 0.45648(14) 0.0498(9) Uani 1 1 d .
H43B H 0.5773 0.5965 0.4612 0.060 Uiso 1 1 d R
H43A H 0.4841 0.6071 0.4680 0.060 Uiso 1 1 d R
O44 O 0.5475(2) 0.37518(17) 0.22562(13) 0.0270(7) Uani 1 1 d .
H44A H 0.5309 0.4169 0.2073 0.032 Uiso 1 1 d R
H44B H 0.5900 0.3921 0.2582 0.032 Uiso 1 1 d R
O45 O 0.5646(2) 0.3646(2) 0.09693(14) 0.0386(8) Uani 1 1 d .
H45A H 0.5710 0.4214 0.1119 0.058 Uiso 1 1 d R
H45B H 0.4980 0.3428 0.0744 0.058 Uiso 1 1 d R
O46 O 0.7388(2) 0.36520(19) 0.19147(14) 0.0368(8) Uani 1 1 d .
H46A H 0.7702 0.3540 0.2313 0.055 Uiso 1 1 d R
H46B H 0.7760 0.3521 0.1633 0.055 Uiso 1 1 d R
O47 O 0.6203(2) 0.20391(19) 0.10840(14) 0.0353(7) Uani 1 1 d .
H47B H 0.6471 0.2341 0.0773 0.053 Uiso 1 1 d R
H47A H 0.5587 0.1653 0.0908 0.053 Uiso 1 1 d R
O48 O 0.6879(4) 0.3292(3) 0.02449(19) 0.0933(17) Uani 1 1 d .
H48A H 0.6822 0.2791 0.0109 0.112 Uiso 1 1 d R
H48B H 0.6299 0.3388 0.0186 0.112 Uiso 1 1 d R
O49 O 0.8423(4) 0.4612(5) 0.0743(3) 0.166(3) Uani 1 1 d .
H49A H 0.7920 0.4213 0.0609 0.199 Uiso 1 1 d R
H49B H 0.8337 0.4844 0.1058 0.199 Uiso 1 1 d R
O50 O 0.9696(2) 0.47311(18) 0.35237(14) 0.0366(8) Uani 1 1 d .
H50A H 0.9162 0.4359 0.3399 0.044 Uiso 1 1 d R
H50B H 0.9557 0.5154 0.3680 0.044 Uiso 1 1 d R
O51 O 0.8297(3) 0.5451(2) 0.17689(17) 0.0574(10) Uani 1 1 d .
H51B H 0.7934 0.5778 0.1840 0.069 Uiso 1 1 d R
H51A H 0.8137 0.4985 0.1928 0.086 Uiso 1 1 d R
O52 O 0.6847(3) 0.4232(3) 0.32697(19) 0.0887(16) Uani 1 1 d .
H52A H 0.7341 0.4023 0.3248 0.106 Uiso 1 1 d R
H52B H 0.7041 0.4646 0.3530 0.106 Uiso 1 1 d R
O53 O 0.5694(2) 0.50985(18) 0.16041(14) 0.0342(7) Uani 1 1 d .
H53A H 0.6157 0.5530 0.1737 0.041 Uiso 1 1 d R
H53B H 0.5148 0.5256 0.1514 0.041 Uiso 1 1 d R
O54 O 0.7149(7) 0.5543(7) 0.4026(5) 0.062(3) Uani 0.37 1 d P
H54A H 0.6574 0.5219 0.3972 0.075 Uiso 0.37 1 d PR
H54B H 0.7195 0.5923 0.4296 0.075 Uiso 0.37 1 d PR
O55 O 0.9769(3) 0.7000(3) 0.51391(17) 0.0692(12) Uani 1 1 d .
H55A H 0.9428 0.7148 0.5370 0.083 Uiso 1 1 d R
H55B H 0.9613 0.7204 0.4800 0.083 Uiso 1 1 d R
O56 O 0.2839(4) 0.3320(4) 0.5122(3) 0.127(2) Uani 1 1 d .
H56A H 0.2743 0.2809 0.5217 0.153 Uiso 1 1 d R
H56B H 0.2517 0.3382 0.4772 0.153 Uiso 1 1 d R
O57 O 0.3708(4) 0.9933(3) 0.9852(2) 0.115(2) Uani 1 1 d .
H57A H 0.3873 0.9507 1.0022 0.138 Uiso 1 1 d R
H57B H 0.3857 1.0343 1.0114 0.138 Uiso 1 1 d R
O58 O 0.0685(8) -0.0005(8) 0.5244(6) 0.139(5) Uani 0.50 1 d P
H58A H 0.0608 0.0386 0.5006 0.167 Uiso 0.50 1 d PR
H58B H 0.0123 -0.0335 0.5231 0.167 Uiso 0.50 1 d PR
O59 O 0.4933(19) 0.2993(16) 0.9889(10) 0.036(6) Uani 0.13 1 d P
H59A H 0.4710 0.2851 0.9517 0.044 Uiso 0.13 1 d PR
H59B H 0.4723 0.2582 1.0091 0.044 Uiso 0.13 1 d PR
P1 P 0.68310(7) 0.74012(6) 0.19262(5) 0.0202(2) Uani 1 1 d .
P2 P 0.26515(7) 0.76524(6) 0.18308(5) 0.0179(2) Uani 1 1 d .
P3 P 0.29341(7) 0.67148(6) 0.36142(4) 0.0184(2) Uani 1 1 d .
P4 P -0.14680(7) 0.25041(6) 0.31442(5) 0.0197(2) Uani 1 1 d .
P5 P 0.26036(7) 0.21238(6) 0.31214(4) 0.0171(2) Uani 1 1 d .
P6 P 0.23944(8) 0.31323(6) 0.13459(5) 0.0193(2) 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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
O2 C1 O1 124.0(4) . .
O2 C1 C2 116.8(4) . .
O1 C1 C2 119.1(4) . .
C3 C2 C7 119.8(4) . .
C3 C2 C1 117.2(4) . .
C7 C2 C1 123.0(4) . .
C4 C3 C2 121.1(4) . .
C4 C3 H3 119.4 . .
C2 C3 H3 119.4 . .
C3 C4 C5 119.3(4) . .
C3 C4 H4 120.4 . .
C5 C4 H4 120.4 . .
C6 C5 C4 120.4(4) . .
C6 C5 H5 119.8 . .
C4 C5 H5 119.8 . .
C5 C6 C7 121.3(4) . .
C5 C6 H6 119.3 . .
C7 C6 H6 119.3 . .
C6 C7 C2 118.0(4) . .
C6 C7 P1 119.6(3) . .
C2 C7 P1 122.4(3) . .
C9 C8 C13 117.9(4) . .
C9 C8 P1 116.5(3) . .
C13 C8 P1 124.7(3) . .
C10 C9 C8 121.9(4) . .
C10 C9 H9 119.1 . .
C8 C9 H9 119.1 . .
C11 C10 C9 119.5(4) . .
C11 C10 H10 120.3 . .
C9 C10 H10 120.3 . .
C10 C11 C12 119.7(4) . .
C10 C11 H11 120.1 . .
C12 C11 H11 120.1 . .
C11 C12 C13 121.2(4) . .
C11 C12 H12 119.4 . .
C13 C12 H12 119.4 . .
C12 C13 C8 119.7(4) . .
C12 C13 C14 117.2(4) . .
C8 C13 C14 123.1(4) . .
O6 C14 O5 125.4(4) . .
O6 C14 C13 116.3(4) . .
O5 C14 C13 118.2(4) . .
O7 C15 O8 121.7(4) . .
O7 C15 C16 119.5(4) . .
O8 C15 C16 118.8(3) . .
C17 C16 C21 120.1(4) . .
C17 C16 C15 117.9(4) . .
C21 C16 C15 122.0(4) . .
C18 C17 C16 121.5(4) . .
C18 C17 H17 119.2 . .
C16 C17 H17 119.2 . .
C17 C18 C19 118.6(4) . .
C17 C18 H18 120.7 . .
C19 C18 H18 120.7 . .
C20 C19 C18 120.8(4) . .
C20 C19 H19 119.6 . .
C18 C19 H19 119.6 . .
C19 C20 C21 121.8(4) . .
C19 C20 H20 119.1 . .
C21 C20 H20 119.1 . .
C20 C21 C16 117.1(4) . .
C20 C21 P2 117.9(3) . .
C16 C21 P2 124.9(3) . .
C23 C22 C27 118.2(4) . .
C23 C22 P2 114.7(3) . .
C27 C22 P2 127.0(3) . .
C24 C23 C22 121.3(5) . .
C24 C23 H23 119.4 . .
C22 C23 H23 119.4 . .
C25 C24 C23 119.9(5) . .
C25 C24 H24 120.0 . .
C23 C24 H24 120.0 . .
C24 C25 C26 120.0(5) . .
C24 C25 H25 120.0 . .
C26 C25 H25 120.0 . .
C25 C26 C27 121.4(5) . .
C25 C26 H26 119.3 . .
C27 C26 H26 119.3 . .
C26 C27 C22 119.1(4) . .
C26 C27 C28 118.4(4) . .
C22 C27 C28 122.3(4) . .
O11 C28 O12 123.0(5) . .
O11 C28 C27 119.1(4) . .
O12 C28 C27 117.9(4) . .
O18 C29 O17 123.7(4) . .
O18 C29 C30 118.9(4) . .
O17 C29 C30 117.3(4) . .
C35 C30 C31 120.1(4) . .
C35 C30 C29 114.7(4) . .
C31 C30 C29 125.2(4) . .
C32 C31 C30 117.9(4) . .
C32 C31 P3 113.7(3) . .
C30 C31 P3 128.3(3) . .
C33 C32 C31 122.0(4) . .
C33 C32 H32 119.0 . .
C31 C32 H32 119.0 . .
C34 C33 C32 119.1(4) . .
C34 C33 H33 120.5 . .
C32 C33 H33 120.5 . .
C33 C34 C35 120.6(4) . .
C33 C34 H34 119.7 . .
C35 C34 H34 119.7 . .
C34 C35 C30 120.3(4) . .
C34 C35 H35 119.9 . .
C30 C35 H35 119.9 . .
C37 C36 C41 118.0(4) . .
C37 C36 P3 120.5(3) . .
C41 C36 P3 121.5(3) . .
C38 C37 C36 122.0(4) . .
C38 C37 H37 119.0 . .
C36 C37 H37 119.0 . .
C39 C38 C37 119.2(4) . .
C39 C38 H38 120.4 . .
C37 C38 H38 120.4 . .
C38 C39 C40 120.8(4) . .
C38 C39 H39 119.6 . .
C40 C39 H39 119.6 . .
C39 C40 C41 120.4(4) . .
C39 C40 H40 119.8 . .
C41 C40 H40 119.8 . .
C40 C41 C36 119.4(4) . .
C40 C41 C42 115.0(4) . .
C36 C41 C42 125.6(4) . .
O14 C42 O13 123.2(4) . .
O14 C42 C41 121.9(4) . .
O13 C42 C41 114.9(4) . .
O20 C43 O19 122.8(4) . .
O20 C43 C44 119.1(4) . .
O19 C43 C44 118.0(4) . .
C45 C44 C49 119.1(4) . .
C45 C44 C43 117.4(4) . .
C49 C44 C43 123.4(4) . .
C46 C45 C44 121.0(4) . .
C46 C45 H45 119.5 . .
C44 C45 H45 119.5 . .
C47 C46 C45 120.4(4) . .
C47 C46 H46 119.8 . .
C45 C46 H46 119.8 . .
C46 C47 C48 119.4(4) . .
C46 C47 H47 120.3 . .
C48 C47 H47 120.3 . .
C49 C48 C47 121.7(4) . .
C49 C48 H48 119.1 . .
C47 C48 H48 119.1 . .
C48 C49 C44 118.3(4) . .
C48 C49 P4 119.0(3) . .
C44 C49 P4 122.5(3) . .
C51 C50 C55 117.9(4) . .
C51 C50 P4 116.1(3) . .
C55 C50 P4 125.5(3) . .
C52 C51 C50 122.0(4) . .
C52 C51 H51 119.0 . .
C50 C51 H51 119.0 . .
C53 C52 C51 119.4(4) . .
C53 C52 H52 120.3 . .
C51 C52 H52 120.3 . .
C52 C53 C54 120.0(4) . .
C52 C53 H53 120.0 . .
C54 C53 H53 120.0 . .
C55 C54 C53 121.4(4) . .
C55 C54 H54 119.3 . .
C53 C54 H54 119.3 . .
C54 C55 C50 119.3(4) . .
C54 C55 C56 116.8(4) . .
C50 C55 C56 123.9(4) . .
O24 C56 O23 125.2(4) . .
O24 C56 C55 116.4(4) . .
O23 C56 C55 118.4(3) . .
O30 C57 O29 122.2(4) . .
O30 C57 C58 120.4(4) . .
O29 C57 C58 117.4(3) . .
C59 C58 C63 121.1(4) . .
C59 C58 C57 117.7(4) . .
C63 C58 C57 121.2(3) . .
C58 C59 C60 120.6(4) . .
C58 C59 H59 119.7 . .
C60 C59 H59 119.7 . .
C61 C60 C59 119.5(4) . .
C61 C60 H60 120.2 . .
C59 C60 H60 120.2 . .
C60 C61 C62 120.2(4) . .
C60 C61 H61 119.9 . .
C62 C61 H61 119.9 . .
C61 C62 C63 121.7(4) . .
C61 C62 H62 119.1 . .
C63 C62 H62 119.1 . .
C62 C63 C58 116.8(4) . .
C62 C63 P5 117.8(3) . .
C58 C63 P5 125.3(3) . .
C65 C64 C69 118.6(4) . .
C65 C64 P5 114.0(3) . .
C69 C64 P5 127.4(3) . .
C64 C65 C66 121.4(5) . .
C64 C65 H65 119.3 . .
C66 C65 H65 119.3 . .
C67 C66 C65 119.6(5) . .
C67 C66 H66 120.2 . .
C65 C66 H66 120.2 . .
C68 C67 C66 119.9(4) . .
C68 C67 H67 120.1 . .
C66 C67 H67 120.1 . .
C67 C68 C69 121.6(5) . .
C67 C68 H68 119.2 . .
C69 C68 H68 119.2 . .
C68 C69 C64 118.9(4) . .
C68 C69 C70 118.2(4) . .
C64 C69 C70 122.9(4) . .
O25 C70 O26 122.6(5) . .
O25 C70 C69 120.2(4) . .
O26 C70 C69 117.2(4) . .
O32 C71 O31 122.9(4) . .
O32 C71 C72 122.0(4) . .
O31 C71 C72 115.1(3) . .
C73 C72 C77 119.5(4) . .
C73 C72 C71 115.5(4) . .
C77 C72 C71 125.0(4) . .
C74 C73 C72 121.1(4) . .
C74 C73 H73 119.5 . .
C72 C73 H73 119.4 . .
C75 C74 C73 119.6(5) . .
C75 C74 H74 120.2 . .
C73 C74 H74 120.2 . .
C74 C75 C76 120.3(5) . .
C74 C75 H75 119.8 . .
C76 C75 H75 119.8 . .
C77 C76 C75 121.1(5) . .
C77 C76 H76 119.5 . .
C75 C76 H76 119.5 . .
C76 C77 C72 118.4(4) . .
C76 C77 P6 119.4(3) . .
C72 C77 P6 122.2(3) . .
C79 C78 C83 118.2(4) . .
C79 C78 P6 113.8(3) . .
C83 C78 P6 128.0(3) . .
C80 C79 C78 121.4(4) . .
C80 C79 H79 119.3 . .
C78 C79 H79 119.3 . .
C81 C80 C79 119.8(4) . .
C81 C80 H80 120.1 . .
C79 C80 H80 120.1 . .
C80 C81 C82 120.3(4) . .
C80 C81 H81 119.8 . .
C82 C81 H81 119.8 . .
C81 C82 C83 121.0(4) . .
C81 C82 H82 119.5 . .
C83 C82 H82 119.5 . .
C82 C83 C78 119.3(4) . .
C82 C83 C84 115.0(4) . .
C78 C83 C84 125.7(4) . .
O35 C84 O36 123.6(4) . .
O35 C84 C83 118.6(4) . .
O36 C84 C83 117.8(4) . .
O5 Co1 O42 174.86(13) 1_455 .
O5 Co1 O41 86.49(12) 1_455 .
O42 Co1 O41 89.78(14) . .
O5 Co1 O17 92.02(11) 1_455 .
O42 Co1 O17 92.42(13) . .
O41 Co1 O17 166.56(13) . .
O5 Co1 O40 91.21(12) 1_455 .
O42 Co1 O40 85.64(13) . .
O41 Co1 O40 95.66(14) . .
O17 Co1 O40 97.72(12) . .
O5 Co1 O38 92.12(11) 1_455 .
O42 Co1 O38 91.35(12) . .
O41 Co1 O38 88.98(12) . .
O17 Co1 O38 77.72(10) . .
O40 Co1 O38 174.45(12) . .
O9 Co2 O6 90.91(12) . 1_455
O9 Co2 O17 103.78(11) . .
O6 Co2 O17 97.67(12) 1_455 .
O9 Co2 O16 90.71(10) . .
O6 Co2 O16 170.61(11) 1_455 .
O17 Co2 O16 90.93(10) . .
O9 Co2 O8 87.27(10) . .
O6 Co2 O8 92.15(11) 1_455 .
O17 Co2 O8 165.02(11) . .
O16 Co2 O8 78.69(10) . .
O9 Co2 O38 173.55(11) . .
O6 Co2 O38 82.85(12) 1_455 .
O17 Co2 O38 78.78(11) . .
O16 Co2 O38 95.19(10) . .
O8 Co2 O38 91.33(10) . .
O3 Co3 O12 91.06(12) . .
O3 Co3 O31 107.74(12) . .
O12 Co3 O31 94.69(12) . .
O3 Co3 O10 156.70(12) . .
O12 Co3 O10 86.98(11) . .
O31 Co3 O10 95.56(11) . .
O3 Co3 O1 88.38(11) . .
O12 Co3 O1 177.79(12) . .
O31 Co3 O1 87.52(12) . .
O10 Co3 O1 92.69(11) . .
O15 Co4 O37 91.45(11) . .
O15 Co4 O2 89.30(12) . .
O37 Co4 O2 94.75(11) . .
O15 Co4 O30 160.52(13) . .
O37 Co4 O30 104.41(11) . .
O2 Co4 O30 100.37(12) . .
O15 Co4 O43 88.72(12) . .
O37 Co4 O43 177.21(13) . .
O2 Co4 O43 88.04(13) . .
O30 Co4 O43 74.89(12) . .
O15 Co4 O14 89.15(11) . .
O37 Co4 O14 74.96(10) . .
O2 Co4 O14 169.55(11) . .
O30 Co4 O14 84.25(12) . .
O43 Co4 O14 102.26(13) . .
O37 Co5 O39 82.67(10) . .
O37 Co5 O10 109.31(10) . .
O39 Co5 O10 162.92(10) . .
O37 Co5 O16 103.66(10) . .
O39 Co5 O16 94.00(10) . .
O10 Co5 O16 94.81(10) . .
O37 Co5 O8 168.62(10) . .
O39 Co5 O8 86.07(10) . .
O10 Co5 O8 81.35(10) . .
O16 Co5 O8 78.71(10) . .
O37 Co5 O32 87.87(10) . .
O39 Co5 O32 75.98(10) . .
O10 Co5 O32 91.96(10) . .
O16 Co5 O32 163.80(10) . .
O8 Co5 O32 87.81(10) . .
O33 Co6 O39 104.58(12) . .
O33 Co6 O7 128.88(13) . .
O39 Co6 O7 118.88(11) . .
O33 Co6 O19 91.79(12) . .
O39 Co6 O19 104.25(11) . .
O7 Co6 O19 101.60(12) . .
O33 Co6 O32 86.75(11) . .
O39 Co6 O32 74.64(10) . .
O7 Co6 O32 80.54(11) . .
O19 Co6 O32 177.86(11) . .
O39 Co7 O37 84.40(10) . .
O39 Co7 O29 175.74(11) . .
O37 Co7 O29 91.39(10) . .
O39 Co7 O27 102.06(10) . .
O37 Co7 O27 163.60(10) . .
O29 Co7 O27 82.17(10) . .
O39 Co7 O34 102.58(10) . .
O37 Co7 O34 100.85(10) . .
O29 Co7 O34 77.55(10) . .
O27 Co7 O34 92.50(10) . .
O39 Co7 O14 87.27(10) . .
O37 Co7 O14 73.81(10) . .
O29 Co7 O14 92.17(10) . .
O27 Co7 O14 91.30(10) . .
O34 Co7 O14 168.44(10) . .
O22 Co8 O26 90.45(11) . .
O22 Co8 O13 104.97(12) . .
O26 Co8 O13 96.97(12) . .
O22 Co8 O27 158.12(11) . .
O26 Co8 O27 86.10(11) . .
O13 Co8 O27 96.90(11) . .
O22 Co8 O20 87.27(11) . .
O26 Co8 O20 175.26(12) . .
O13 Co8 O20 87.63(12) . .
O27 Co8 O20 94.48(11) . .
O28 Co9 O24 91.21(12) . 1_655
O28 Co9 O36 107.70(11) . .
O24 Co9 O36 97.23(12) 1_655 .
O28 Co9 O29 86.47(10) . .
O24 Co9 O29 91.65(12) 1_655 .
O36 Co9 O29 163.02(11) . .
O28 Co9 O34 89.39(10) . .
O24 Co9 O34 169.44(12) 1_655 .
O36 Co9 O34 92.63(11) . .
O29 Co9 O34 77.86(10) . .
O28 Co9 O44 172.00(11) . .
O24 Co9 O44 83.83(12) 1_655 .
O36 Co9 O44 79.24(10) . .
O29 Co9 O44 87.40(10) . .
O34 Co9 O44 94.34(10) . .
O23 Co10 O45 173.32(12) 1_655 .
O23 Co10 O46 84.82(12) 1_655 .
O45 Co10 O46 88.49(13) . .
O23 Co10 O47 93.22(12) 1_655 .
O45 Co10 O47 87.62(13) . .
O46 Co10 O47 97.63(13) . .
O23 Co10 O36 95.27(11) 1_655 .
O45 Co10 O36 91.27(12) . .
O46 Co10 O36 167.38(12) . .
O47 Co10 O36 94.96(11) . .
O23 Co10 O44 90.48(11) 1_655 .
O45 Co10 O44 89.47(12) . .
O46 Co10 O44 89.23(12) . .
O47 Co10 O44 172.47(12) . .
O36 Co10 O44 78.16(10) . .
C1 O1 Co3 146.0(3) . .
C1 O2 Co4 121.7(3) . .
P1 O3 Co3 130.00(18) . .
C14 O5 Co1 128.1(3) . 1_655
C14 O6 Co2 131.6(3) . 1_655
C15 O7 Co6 114.8(3) . .
C15 O8 Co5 120.9(2) . .
C15 O8 Co2 136.9(2) . .
Co5 O8 Co2 98.67(11) . .
P2 O9 Co2 122.79(15) . .
P2 O10 Co3 121.09(15) . .
P2 O10 Co5 123.91(15) . .
Co3 O10 Co5 113.62(12) . .
C28 O12 Co3 120.0(3) . .
C42 O13 Co8 139.9(3) . .
C42 O14 Co4 143.2(3) . .
C42 O14 Co7 121.8(3) . .
Co4 O14 Co7 89.65(10) . .
P3 O15 Co4 134.49(17) . .
P3 O16 Co2 124.80(15) . .
P3 O16 Co5 122.77(15) . .
Co2 O16 Co5 100.84(11) . .
C29 O17 Co1 123.5(3) . .
C29 O17 Co2 135.4(3) . .
Co1 O17 Co2 99.60(11) . .
C43 O19 Co6 117.5(3) . .
C43 O20 Co8 143.4(3) . .
P4 O22 Co8 128.65(17) . .
C56 O23 Co10 127.4(3) . 1_455
C56 O24 Co9 133.2(3) . 1_455
C70 O26 Co8 117.6(3) . .
P5 O27 Co8 120.24(15) . .
P5 O27 Co7 122.26(15) . .
Co8 O27 Co7 115.18(12) . .
P5 O28 Co9 122.19(15) . .
C57 O29 Co7 120.9(2) . .
C57 O29 Co9 133.3(2) . .
Co7 O29 Co9 104.39(11) . .
C57 O30 Co4 121.7(3) . .
C71 O31 Co3 139.5(3) . .
C71 O32 Co5 125.9(3) . .
C71 O32 Co6 146.2(3) . .
Co5 O32 Co6 87.18(10) . .
P6 O33 Co6 131.23(17) . .
P6 O34 Co9 124.36(15) . .
P6 O34 Co7 128.82(16) . .
Co9 O34 Co7 98.11(10) . .
C84 O36 Co9 134.7(3) . .
C84 O36 Co10 126.0(3) . .
Co9 O36 Co10 98.66(11) . .
Co7 O37 Co5 96.12(11) . .
Co7 O37 Co4 103.21(11) . .
Co5 O37 Co4 123.90(13) . .
Co7 O37 H37A 110.6 . .
Co5 O37 H37A 110.6 . .
Co4 O37 H37A 110.6 . .
Co2 O38 Co1 92.77(10) . .
Co2 O38 H38A 113.1 . .
Co1 O38 H38A 113.1 . .
Co2 O38 H38B 113.1 . .
Co1 O38 H38B 113.2 . .
H38A O38 H38B 110.6 . .
Co6 O39 Co7 120.89(13) . .
Co6 O39 Co5 100.89(11) . .
Co7 O39 Co5 96.49(11) . .
Co6 O39 H39A 112.2 . .
Co7 O39 H39A 112.2 . .
Co5 O39 H39A 112.2 . .
Co1 O40 H40A 109.3 . .
Co1 O40 H40B 109.3 . .
H40A O40 H40B 109.5 . .
Co1 O41 H41A 109.3 . .
Co1 O41 H41B 109.2 . .
H41A O41 H41B 109.5 . .
Co1 O42 H42A 109.4 . .
Co1 O42 H42B 109.3 . .
H42A O42 H42B 109.5 . .
Co4 O43 H43B 110.9 . .
Co4 O43 H43A 102.2 . .
H43B O43 H43A 111.3 . .
Co10 O44 Co9 93.18(10) . .
Co10 O44 H44A 113.1 . .
Co9 O44 H44A 113.1 . .
Co10 O44 H44B 113.0 . .
Co9 O44 H44B 113.0 . .
H44A O44 H44B 110.5 . .
Co10 O45 H45A 109.3 . .
Co10 O45 H45B 109.3 . .
H45A O45 H45B 109.5 . .
Co10 O46 H46A 109.3 . .
Co10 O46 H46B 109.3 . .
H46A O46 H46B 109.5 . .
Co10 O47 H47B 109.2 . .
Co10 O47 H47A 109.3 . .
H47B O47 H47A 109.5 . .
H48A O48 H48B 107.6 . .
H49A O49 H49B 108.5 . .
H50A O50 H50B 108.8 . .
H51B O51 H51A 109.5 . .
H52A O52 H52B 108.7 . .
H53A O53 H53B 108.2 . .
H54A O54 H54B 108.3 . .
H55A O55 H55B 108.3 . .
H56A O56 H56B 113.0 . .
H57A O57 H57B 108.5 . .
H58A O58 H58B 108.8 . .
H59A O59 H59B 108.6 . .
O4 P1 O3 115.22(16) . .
O4 P1 C7 110.71(18) . .
O3 P1 C7 107.72(18) . .
O4 P1 C8 109.79(17) . .
O3 P1 C8 104.14(17) . .
C7 P1 C8 108.94(18) . .
O9 P2 O10 112.80(15) . .
O9 P2 C22 106.87(17) . .
O10 P2 C22 108.32(17) . .
O9 P2 C21 108.03(16) . .
O10 P2 C21 113.40(16) . .
C22 P2 C21 107.07(18) . .
O15 P3 O16 113.78(16) . .
O15 P3 C36 108.87(17) . .
O16 P3 C36 108.51(16) . .
O15 P3 C31 104.39(17) . .
O16 P3 C31 111.37(16) . .
C36 P3 C31 109.83(18) . .
O21 P4 O22 114.09(16) . .
O21 P4 C50 109.48(17) . .
O22 P4 C50 104.99(17) . .
O21 P4 C49 111.39(17) . .
O22 P4 C49 108.69(17) . .
C50 P4 C49 107.86(18) . .
O28 P5 O27 113.28(15) . .
O28 P5 C64 106.00(17) . .
O27 P5 C64 108.61(17) . .
O28 P5 C63 107.88(17) . .
O27 P5 C63 113.32(16) . .
C64 P5 C63 107.35(18) . .
O33 P6 O34 114.53(16) . .
O33 P6 C77 107.69(19) . .
O34 P6 C77 109.51(17) . .
O33 P6 C78 103.70(17) . .
O34 P6 C78 111.58(17) . .
C77 P6 C78 109.60(19) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O2 1.258(5) .
C1 O1 1.263(5) .
C1 C2 1.512(6) .
C2 C3 1.389(6) .
C2 C7 1.410(6) .
C3 C4 1.376(6) .
C3 H3 0.9300 .
C4 C5 1.383(7) .
C4 H4 0.9300 .
C5 C6 1.380(6) .
C5 H5 0.9300 .
C6 C7 1.391(6) .
C6 H6 0.9300 .
C7 P1 1.819(4) .
C8 C9 1.395(6) .
C8 C13 1.412(5) .
C8 P1 1.820(4) .
C9 C10 1.387(6) .
C9 H9 0.9300 .
C10 C11 1.383(6) .
C10 H10 0.9300 .
C11 C12 1.384(6) .
C11 H11 0.9300 .
C12 C13 1.389(6) .
C12 H12 0.9300 .
C13 C14 1.501(6) .
C14 O6 1.251(5) .
C14 O5 1.257(5) .
C15 O7 1.256(5) .
C15 O8 1.271(5) .
C15 C16 1.481(5) .
C16 C17 1.391(6) .
C16 C21 1.412(5) .
C17 C18 1.377(6) .
C17 H17 0.9300 .
C18 C19 1.381(6) .
C18 H18 0.9300 .
C19 C20 1.377(6) .
C19 H19 0.9300 .
C20 C21 1.397(5) .
C20 H20 0.9300 .
C21 P2 1.828(4) .
C22 C23 1.395(6) .
C22 C27 1.420(6) .
C22 P2 1.822(4) .
C23 C24 1.386(6) .
C23 H23 0.9300 .
C24 C25 1.372(8) .
C24 H24 0.9300 .
C25 C26 1.380(7) .
C25 H25 0.9300 .
C26 C27 1.384(6) .
C26 H26 0.9300 .
C27 C28 1.499(6) .
C28 O11 1.230(5) .
C28 O12 1.275(5) .
C29 O18 1.220(5) .
C29 O17 1.297(5) .
C29 C30 1.510(6) .
C30 C35 1.390(6) .
C30 C31 1.398(5) .
C31 C32 1.398(6) .
C31 P3 1.824(4) .
C32 C33 1.379(6) .
C32 H32 0.9300 .
C33 C34 1.377(6) .
C33 H33 0.9300 .
C34 C35 1.382(6) .
C34 H34 0.9300 .
C35 H35 0.9300 .
C36 C37 1.393(5) .
C36 C41 1.413(5) .
C36 P3 1.802(4) .
C37 C38 1.380(6) .
C37 H37 0.9300 .
C38 C39 1.370(7) .
C38 H38 0.9300 .
C39 C40 1.383(6) .
C39 H39 0.9300 .
C40 C41 1.394(6) .
C40 H40 0.9300 .
C41 C42 1.516(5) .
C42 O14 1.255(5) .
C42 O13 1.266(5) .
C43 O20 1.255(5) .
C43 O19 1.263(5) .
C43 C44 1.499(6) .
C44 C45 1.394(6) .
C44 C49 1.408(6) .
C45 C46 1.377(6) .
C45 H45 0.9300 .
C46 C47 1.366(7) .
C46 H46 0.9300 .
C47 C48 1.389(6) .
C47 H47 0.9300 .
C48 C49 1.386(6) .
C48 H48 0.9300 .
C49 P4 1.822(4) .
C50 C51 1.397(6) .
C50 C55 1.414(5) .
C50 P4 1.821(4) .
C51 C52 1.386(6) .
C51 H51 0.9300 .
C52 C53 1.370(6) .
C52 H52 0.9300 .
C53 C54 1.390(6) .
C53 H53 0.9300 .
C54 C55 1.381(6) .
C54 H54 0.9300 .
C55 C56 1.515(6) .
C56 O24 1.252(5) .
C56 O23 1.255(5) .
C57 O30 1.234(5) .
C57 O29 1.277(5) .
C57 C58 1.495(5) .
C58 C59 1.377(6) .
C58 C63 1.407(5) .
C59 C60 1.385(6) .
C59 H59 0.9300 .
C60 C61 1.371(6) .
C60 H60 0.9300 .
C61 C62 1.383(6) .
C61 H61 0.9300 .
C62 C63 1.398(5) .
C62 H62 0.9300 .
C63 P5 1.832(4) .
C64 C65 1.384(6) .
C64 C69 1.411(6) .
C64 P5 1.822(4) .
C65 C66 1.386(6) .
C65 H65 0.9300 .
C66 C67 1.375(7) .
C66 H66 0.9300 .
C67 C68 1.372(7) .
C67 H67 0.9300 .
C68 C69 1.384(6) .
C68 H68 0.9300 .
C69 C70 1.509(6) .
C70 O25 1.227(5) .
C70 O26 1.284(5) .
C71 O32 1.252(5) .
C71 O31 1.265(5) .
C71 C72 1.502(5) .
C72 C73 1.383(6) .
C72 C77 1.405(5) .
C73 C74 1.380(7) .
C73 H73 0.9300 .
C74 C75 1.363(7) .
C74 H74 0.9300 .
C75 C76 1.386(7) .
C75 H75 0.9300 .
C76 C77 1.383(6) .
C76 H76 0.9300 .
C77 P6 1.803(4) .
C78 C79 1.401(6) .
C78 C83 1.408(6) .
C78 P6 1.826(4) .
C79 C80 1.377(6) .
C79 H79 0.9300 .
C80 C81 1.370(7) .
C80 H80 0.9300 .
C81 C82 1.377(6) .
C81 H81 0.9300 .
C82 C83 1.390(6) .
C82 H82 0.9300 .
C83 C84 1.506(6) .
C84 O35 1.226(5) .
C84 O36 1.295(5) .
Co1 O5 2.037(3) 1_455
Co1 O42 2.053(3) .
Co1 O41 2.069(3) .
Co1 O17 2.096(3) .
Co1 O40 2.119(3) .
Co1 O38 2.235(3) .
Co2 O9 2.020(3) .
Co2 O6 2.027(3) 1_455
Co2 O17 2.096(3) .
Co2 O16 2.110(3) .
Co2 O8 2.157(3) .
Co2 O38 2.188(3) .
Co3 O3 1.969(3) .
Co3 O12 2.018(3) .
Co3 O31 2.034(3) .
Co3 O10 2.048(3) .
Co3 O1 2.082(3) .
Co4 O15 1.991(3) .
Co4 O37 2.063(3) .
Co4 O2 2.095(3) .
Co4 O30 2.122(3) .
Co4 O43 2.163(3) .
Co4 O14 2.251(3) .
Co5 O37 2.060(3) .
Co5 O39 2.075(3) .
Co5 O10 2.116(3) .
Co5 O16 2.123(3) .
Co5 O8 2.143(3) .
Co5 O32 2.196(3) .
Co6 O33 1.931(3) .
Co6 O39 1.978(3) .
Co6 O7 2.002(3) .
Co6 O19 2.027(3) .
Co6 O32 2.335(3) .
Co7 O39 2.020(3) .
Co7 O37 2.046(3) .
Co7 O29 2.047(3) .
Co7 O27 2.116(3) .
Co7 O34 2.184(3) .
Co7 O14 2.317(3) .
Co8 O22 1.998(3) .
Co8 O26 2.008(3) .
Co8 O13 2.047(3) .
Co8 O27 2.052(3) .
Co8 O20 2.062(3) .
Co9 O28 2.023(3) .
Co9 O24 2.038(3) 1_655
Co9 O36 2.062(3) .
Co9 O29 2.083(3) .
Co9 O34 2.136(3) .
Co9 O44 2.195(3) .
Co10 O23 2.052(3) 1_655
Co10 O45 2.077(3) .
Co10 O46 2.088(3) .
Co10 O47 2.094(3) .
Co10 O36 2.128(3) .
Co10 O44 2.181(3) .
O3 P1 1.513(3) .
O4 P1 1.511(3) .
O5 Co1 2.037(3) 1_655
O6 Co2 2.027(3) 1_655
O9 P2 1.504(3) .
O10 P2 1.547(3) .
O15 P3 1.503(3) .
O16 P3 1.530(3) .
O21 P4 1.509(3) .
O22 P4 1.524(3) .
O23 Co10 2.052(3) 1_455
O24 Co9 2.038(3) 1_455
O27 P5 1.550(3) .
O28 P5 1.502(3) .
O33 P6 1.511(3) .
O34 P6 1.517(3) .
O37 H37A 0.8499 .
O38 H38A 0.8500 .
O38 H38B 0.8500 .
O39 H39A 0.8498 .
O40 H40A 0.9600 .
O40 H40B 0.9600 .
O41 H41A 0.9599 .
O41 H41B 0.9601 .
O42 H42A 0.9599 .
O42 H42B 0.9600 .
O43 H43B 0.8500 .
O43 H43A 0.8497 .
O44 H44A 0.8501 .
O44 H44B 0.8501 .
O45 H45A 0.9600 .
O45 H45B 0.9600 .
O46 H46A 0.9600 .
O46 H46B 0.9600 .
O47 H47B 0.9602 .
O47 H47A 0.9599 .
O48 H48A 0.8499 .
O48 H48B 0.8499 .
O49 H49A 0.8501 .
O49 H49B 0.8497 .
O50 H50A 0.8499 .
O50 H50B 0.8499 .
O51 H51B 0.8500 .
O51 H51A 0.8501 .
O52 H52A 0.8501 .
O52 H52B 0.8500 .
O53 H53A 0.8500 .
O53 H53B 0.8501 .
O54 H54A 0.8500 .
O54 H54B 0.8500 .
O55 H55A 0.8499 .
O55 H55B 0.8499 .
O56 H56A 0.8501 .
O56 H56B 0.8499 .
O57 H57A 0.8501 .
O57 H57B 0.8498 .
O58 H58A 0.8502 .
O58 H58B 0.8499 .
O59 H59A 0.8500 .
O59 H59B 0.8500 .
