#------------------------------------------------------------------------------
#$Date: 2015-08-08 05:06:31 +0300 (Sat, 08 Aug 2015) $
#$Revision: 153165 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/56/7035646.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_7035646
loop_
_publ_author_name
'Song, Bai-Qiao'
'Wang, Xin-Long'
'Sun, Chun-Yi'
'Zhang, Yu-Teng'
'Wu, Xue-Song'
'Yang, Liu'
'Shao, Kui-Zhan'
'Zhao, Liang'
'Su, Zhong-Min'
_publ_section_title
;
 An organic-inorganic hybrid photocatalyst based on sandwich-type
 tetra-Co-substituted phosphotungstates with high visible light
 photocatalytic activity.
;
_journal_issue                   31
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13818
_journal_page_last               13822
_journal_paper_doi               10.1039/c5dt01560j
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C72 H84 Co9 N24 O86 P2 W18, 10H2O'
_chemical_formula_sum            'C72 H104 Co9 N24 O96 P2 W18'
_chemical_formula_weight         6743.40
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-04-06 deposited with the CCDC.
2015-07-06 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   29.325(5)
_cell_length_b                   13.413(5)
_cell_length_c                   36.016(5)
_cell_measurement_temperature    293(2)
_cell_volume                     14166(6)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics    'Diamond (Brandenburg and Putz, 2008)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97(Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.995
_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  0.0949
_diffrn_reflns_av_sigmaI/netI    0.0603
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            70383
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.06
_diffrn_reflns_theta_min         1.13
_exptl_absorpt_coefficient_mu    15.705
_exptl_absorpt_correction_T_max  0.017
_exptl_absorpt_correction_T_min  0.017
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    3.162
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             12308
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.26
_refine_diff_density_max         2.938
_refine_diff_density_min         -2.165
_refine_diff_density_rms         0.597
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     988
_refine_ls_number_reflns         12490
_refine_ls_number_restraints     14
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0643
_refine_ls_R_factor_gt           0.0391
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0681P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0984
_refine_ls_wR_factor_ref         0.1185
_reflns_number_gt                9477
_reflns_number_total             12490
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c5dt01560j2.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' 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 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 7035646.cif.
;
_cod_database_code               7035646
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'-x-1/2, y-1/2, 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
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W 0.543144(18) 0.67341(4) 0.350503(14) 0.01579(13) Uani 1 1 d . . .
W2 W 0.469421(17) 0.70293(4) 0.423969(14) 0.01432(13) Uani 1 1 d . . .
W3 W 0.421765(17) 0.45086(4) 0.410278(13) 0.01522(13) Uani 1 1 d . . .
W4 W 0.494122(19) 0.25233(4) 0.408785(14) 0.01792(13) Uani 1 1 d . . .
W5 W 0.619175(18) 0.45187(4) 0.348137(14) 0.01820(14) Uani 1 1 d . . .
W6 W 0.660958(17) 0.52040(4) 0.435047(14) 0.01645(13) Uani 1 1 d . . .
W8 W 0.584367(18) 0.73592(4) 0.437351(14) 0.01584(13) Uani 1 1 d . . .
W9 W 0.617762(18) 0.28777(4) 0.423603(14) 0.01798(14) Uani 1 1 d . . .
W10 W 0.494558(18) 0.42202(4) 0.335837(14) 0.01650(13) Uani 1 1 d . . .
Co2 Co 0.71568(6) 0.10965(15) 0.43477(5) 0.0218(4) Uani 1 1 d . . .
Co3 Co 0.58652(6) 0.42410(14) 0.50472(5) 0.0163(4) Uani 1 1 d . . .
Co4 Co 0.52105(6) 0.61394(14) 0.50706(5) 0.0150(4) Uani 1 1 d . . .
Co5 Co 0.53013(6) 0.82339(15) 0.26149(5) 0.0195(4) Uani 1 1 d . . .
Co6 Co 0.5000 0.0000 0.5000 0.0330(7) Uani 1 2 d S . .
P1 P 0.54103(10) 0.4917(2) 0.42648(8) 0.0089(6) Uani 1 1 d . . .
C1 C 0.7007(5) 0.6891(11) 0.1711(4) 0.024(3) Uani 1 1 d . . .
C2 C 0.7298(5) 0.6799(12) 0.1139(4) 0.030(4) Uani 1 1 d . . .
C3 C 0.7758(5) 0.6888(11) 0.1631(4) 0.028(3) Uani 1 1 d . . .
C4 C 0.7225(5) 0.6753(11) 0.0728(4) 0.026(3) Uani 1 1 d . . .
C5 C 0.8225(5) 0.6939(10) 0.1811(4) 0.022(3) Uani 1 1 d . . .
C6 C 0.8265(5) 0.7103(14) 0.2185(4) 0.036(4) Uani 1 1 d . . .
H6 H 0.8010 0.7222 0.2332 0.043 Uiso 1 1 calc R . .
C7 C 0.8607(5) 0.6771(13) 0.1595(4) 0.037(4) Uani 1 1 d . . .
H7 H 0.8586 0.6700 0.1339 0.044 Uiso 1 1 calc R . .
C8 C 0.9020(5) 0.6712(11) 0.1778(4) 0.029(3) Uani 1 1 d . . .
H8 H 0.9275 0.6536 0.1639 0.035 Uiso 1 1 calc R . .
C9 C 0.3026(5) 0.9274(12) 0.3884(4) 0.026(3) Uani 1 1 d . . .
C10 C 0.2704(5) 0.9449(11) 0.3325(4) 0.023(3) Uani 1 1 d . . .
C11 C 0.3458(5) 0.9420(11) 0.3385(4) 0.022(3) Uani 1 1 d . . .
C12 C 0.3925(5) 0.9409(11) 0.3203(4) 0.023(3) Uani 1 1 d . . .
C13 C 0.4299(5) 0.9276(11) 0.3420(4) 0.024(3) Uani 1 1 d . . .
H13 H 0.4284 0.9321 0.3677 0.028 Uiso 1 1 calc R . .
C14 C 0.4711(5) 0.9063(11) 0.3232(4) 0.023(3) Uani 1 1 d . . .
H14 H 0.4970 0.8943 0.3374 0.028 Uiso 1 1 calc R . .
C15 C 0.2977(5) 0.9133(12) 0.4293(4) 0.027(3) Uani 1 1 d . . .
C16 C 0.2558(5) 0.9066(12) 0.4462(4) 0.029(4) Uani 1 1 d . . .
H16 H 0.2292 0.9115 0.4323 0.035 Uiso 1 1 calc R . .
C17 C 0.2287(5) 0.9512(13) 0.3082(4) 0.031(3) Uani 1 1 d U . .
C18 C 0.1851(5) 0.9443(12) 0.3235(4) 0.034(4) Uani 1 1 d . . .
H18 H 0.1816 0.9370 0.3490 0.041 Uiso 1 1 calc R . .
C19 C 0.1476(5) 0.9481(13) 0.3013(5) 0.036(4) Uani 1 1 d . . .
H19 H 0.1188 0.9446 0.3120 0.043 Uiso 1 1 calc R . .
C20 C 0.4382(5) 0.9247(14) 0.2664(4) 0.040(5) Uani 1 1 d . . .
H20 H 0.4405 0.9264 0.2407 0.048 Uiso 1 1 calc R . .
C21 C 0.8693(6) 0.7085(15) 0.2334(4) 0.047(5) Uani 1 1 d . . .
H21 H 0.8724 0.7213 0.2587 0.056 Uiso 1 1 calc R . .
C22 C 0.6593(5) 0.6965(12) 0.1945(4) 0.027(3) Uani 1 1 d . . .
C23 C 0.6158(5) 0.6962(13) 0.1784(4) 0.030(4) Uani 1 1 d . . .
H23 H 0.6120 0.6814 0.1533 0.036 Uiso 1 1 calc R . .
C24 C 0.3951(5) 0.9459(11) 0.2828(4) 0.025(3) Uani 1 1 d . . .
H24 H 0.3698 0.9624 0.2684 0.030 Uiso 1 1 calc R . .
C25 C 0.5796(5) 0.7178(12) 0.2001(4) 0.029(4) Uani 1 1 d . . .
H25 H 0.5508 0.7178 0.1894 0.034 Uiso 1 1 calc R . .
C26 C 0.2328(5) 0.9619(13) 0.2704(4) 0.035(3) Uani 1 1 d U . .
H26 H 0.2613 0.9669 0.2593 0.042 Uiso 1 1 calc R . .
C27 C 0.2540(5) 0.8924(12) 0.4837(4) 0.031(4) Uani 1 1 d . . .
H27 H 0.2254 0.8842 0.4944 0.037 Uiso 1 1 calc R . .
C28 C 0.6632(5) 0.7089(13) 0.2320(4) 0.032(4) Uani 1 1 d . . .
H28 H 0.6914 0.7025 0.2436 0.039 Uiso 1 1 calc R . .
C29 C 0.6248(5) 0.7309(12) 0.2523(4) 0.030(4) Uani 1 1 d . . .
H29 H 0.6276 0.7403 0.2778 0.036 Uiso 1 1 calc R . .
C30 C 0.7570(6) 0.6464(13) 0.0498(4) 0.040(4) Uani 1 1 d . . .
H30 H 0.7853 0.6293 0.0595 0.048 Uiso 1 1 calc R . .
C31 C 0.7496(6) 0.6430(14) 0.0128(4) 0.045(5) Uani 1 1 d . . .
H31 H 0.7736 0.6235 -0.0024 0.054 Uiso 1 1 calc R . .
C32 C 0.6809(6) 0.6967(14) 0.0572(4) 0.043(4) Uani 1 1 d . . .
H32 H 0.6560 0.7137 0.0718 0.051 Uiso 1 1 calc R . .
C33 C 0.6775(7) 0.6923(17) 0.0199(5) 0.059(6) Uani 1 1 d . . .
H33 H 0.6496 0.7095 0.0094 0.071 Uiso 1 1 calc R . .
C34 C 0.3358(5) 0.9079(15) 0.4511(4) 0.044(5) Uani 1 1 d . . .
H34 H 0.3647 0.9137 0.4407 0.052 Uiso 1 1 calc R . .
C35 C 0.3302(5) 0.8934(14) 0.4893(4) 0.041(5) Uani 1 1 d . . .
H35 H 0.3563 0.8859 0.5037 0.050 Uiso 1 1 calc R . .
C36 C 0.1944(5) 0.9650(14) 0.2496(5) 0.041(4) Uani 1 1 d U . .
H36 H 0.1976 0.9731 0.2241 0.049 Uiso 1 1 calc R . .
N3 N 0.4752(4) 0.9026(10) 0.2860(3) 0.026(3) Uani 1 1 d . . .
N4 N 0.2906(4) 0.8896(9) 0.5061(3) 0.026(3) Uani 1 1 d . . .
N5 N 0.2640(4) 0.9334(9) 0.3685(3) 0.027(3) Uani 1 1 d . . .
N6 N 0.3441(4) 0.9335(9) 0.3751(3) 0.024(3) Uani 1 1 d . . .
N7 N 0.3100(4) 0.9517(9) 0.3158(3) 0.025(3) Uani 1 1 d . . .
N8 N 0.6933(4) 0.6815(10) 0.1347(3) 0.030(3) Uani 1 1 d . . .
N9 N 0.7411(4) 0.6941(9) 0.1865(3) 0.024(3) Uani 1 1 d . . .
N10 N 0.7726(4) 0.6850(10) 0.1265(3) 0.029(3) Uani 1 1 d . . .
N11 N 0.9078(4) 0.6891(10) 0.2135(4) 0.035(3) Uani 1 1 d . . .
N12 N 0.1515(5) 0.9571(11) 0.2635(4) 0.044(4) Uani 1 1 d . . .
N13 N 0.5829(4) 0.7393(10) 0.2363(3) 0.027(3) Uani 1 1 d . . .
N14 N 0.7107(6) 0.6654(14) -0.0030(4) 0.061(5) Uani 1 1 d . . .
O1 O 0.5054(3) 0.4308(7) 0.4053(2) 0.015(2) Uani 1 1 d . . .
O2 O 0.5890(3) 0.4548(6) 0.4148(2) 0.0161(19) Uani 1 1 d . . .
O1W O 0.6360(3) 0.3606(9) 0.5411(3) 0.031(3) Uani 1 1 d . . .
O3 O 0.5339(3) 0.4801(6) 0.4686(2) 0.0133(19) Uani 1 1 d . . .
O2W O 0.7443(4) 0.2498(8) 0.4306(3) 0.041(3) Uani 1 1 d . . .
O4 O 0.5366(3) 0.6021(7) 0.4144(2) 0.016(2) Uani 1 1 d . . .
O3W O 0.7218(4) 0.0954(10) 0.3774(3) 0.049(3) Uani 1 1 d . . .
O5 O 0.4945(3) 0.2711(7) 0.4583(2) 0.018(2) Uani 1 1 d . . .
O4W O 0.6882(4) -0.0327(9) 0.4342(3) 0.044(3) Uani 1 1 d . . .
O6 O 0.4328(3) 0.3142(7) 0.4085(2) 0.022(2) Uani 1 1 d . . .
O5W O 0.5753(3) 0.9354(8) 0.2781(3) 0.034(3) Uani 1 1 d . . .
O7 O 0.4930(3) 0.2920(7) 0.3559(2) 0.020(2) Uani 1 1 d . . .
O6W O 0.4840(4) 0.7123(9) 0.2462(3) 0.037(3) Uani 1 1 d . . .
O8 O 0.3641(3) 0.4615(8) 0.4086(2) 0.025(2) Uani 1 1 d . . .
O7W O 0.5469(4) 0.1231(9) 0.4981(3) 0.043(3) Uani 1 1 d . . .
O9 O 0.4798(3) 0.1280(7) 0.4033(3) 0.027(2) Uani 1 1 d . . .
O8W O 0.4894(4) 0.0220(8) 0.5559(3) 0.043(3) Uani 1 1 d . . .
O10 O 0.5594(3) 0.2466(7) 0.4059(2) 0.021(2) Uani 1 1 d . . .
O9W O 0.5550(4) -0.0946(8) 0.5124(3) 0.040(3) Uani 1 1 d . . .
O11 O 0.4382(3) 0.5909(7) 0.4057(2) 0.019(2) Uani 1 1 d . . .
O10W O 0.6577(8) 0.1642(14) 0.3283(5) 0.117(8) Uani 1 1 d . . .
O12 O 0.5981(3) 0.3061(7) 0.4698(2) 0.020(2) Uani 1 1 d . . .
O11W O 0.3108(7) 0.2842(17) 0.6434(7) 0.137(9) Uani 1 1 d . . .
O13 O 0.6488(3) 0.1761(8) 0.4255(3) 0.030(2) Uani 1 1 d . . .
O12W O 0.5660(11) 0.166(3) 0.3216(9) 0.070(9) Uiso 0.50 1 d P A 1
O13W O 0.5485(11) 0.115(3) 0.3183(9) 0.074(9) Uiso 0.50 1 d P B 2
O14 O 0.6287(3) 0.3264(7) 0.3698(2) 0.023(2) Uani 1 1 d . . .
O14W O 0.2508(18) 0.579(4) 0.6542(13) 0.137(13) Uiso 0.50 1 d PU C 1
O15W O 0.2546(17) 0.614(4) 0.6332(13) 0.127(13) Uiso 0.50 1 d PU D 2
O15 O 0.5660(3) 0.5396(7) 0.5399(2) 0.018(2) Uani 1 1 d . . .
O16W O 0.7310(19) 0.280(4) 0.2971(16) 0.152(15) Uiso 0.50 1 d PU E 1
O17W O 0.744(2) 0.216(4) 0.2932(16) 0.163(15) Uiso 0.50 1 d PU F 2
O16 O 0.5719(3) 0.6856(7) 0.4814(2) 0.020(2) Uani 1 1 d . . .
O17 O 0.6368(3) 0.5067(7) 0.4795(2) 0.018(2) Uani 1 1 d . . .
O19 O 0.6115(3) 0.8460(7) 0.4479(3) 0.024(2) Uani 1 1 d . . .
O20 O 0.5212(3) 0.7840(7) 0.4356(2) 0.021(2) Uani 1 1 d . . .
O21 O 0.5793(3) 0.7502(7) 0.3819(2) 0.022(2) Uani 1 1 d . . .
O22 O 0.6328(3) 0.6477(7) 0.4265(2) 0.021(2) Uani 1 1 d . . .
O23 O 0.4266(3) 0.7901(8) 0.4274(2) 0.026(2) Uani 1 1 d . . .
O24 O 0.4699(3) 0.6501(7) 0.4708(2) 0.017(2) Uani 1 1 d . . .
O25 O 0.4903(3) 0.7244(6) 0.3730(2) 0.0143(19) Uani 1 1 d . . .
O26 O 0.5929(3) 0.5837(7) 0.3450(2) 0.027(2) Uani 1 1 d . . .
O27 O 0.5595(3) 0.4076(7) 0.3351(2) 0.022(2) Uani 1 1 d . . .
O28 O 0.6636(3) 0.5085(7) 0.3792(2) 0.018(2) Uani 1 1 d . . .
O29 O 0.5442(3) 0.7450(8) 0.3105(2) 0.024(2) Uani 1 1 d . . .
O30 O 0.4807(3) 0.3989(8) 0.2898(2) 0.023(2) Uani 1 1 d . . .
O31 O 0.7823(3) 0.0549(7) 0.4421(2) 0.022(2) Uani 1 1 d . . .
O32 O 0.6476(3) 0.4413(7) 0.3072(2) 0.0171(14) Uani 1 1 d . . .
O33 O 0.4372(3) 0.4482(7) 0.3575(2) 0.0154(19) Uani 1 1 d . . .
O35 O 0.6683(3) 0.3761(8) 0.4313(2) 0.023(2) Uani 1 1 d . . .
O34 O 0.5041(3) 0.5590(7) 0.3371(2) 0.0171(14) 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
W W -0.8490 6.8722 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 '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'
H H 0.0000 0.0000 '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
O29 W1 O21 100.8(4) . .
O29 W1 O25 99.9(4) . .
O21 W1 O25 90.4(4) . .
O29 W1 O26 104.5(4) . .
O21 W1 O26 88.6(4) . .
O25 W1 O26 155.4(4) . .
O29 W1 O34 103.8(4) . .
O21 W1 O34 155.4(4) . .
O25 W1 O34 84.8(4) . .
O26 W1 O34 85.9(4) . .
O29 W1 O4 168.4(4) . .
O21 W1 O4 72.3(3) . .
O25 W1 O4 71.3(3) . .
O26 W1 O4 85.0(3) . .
O34 W1 O4 83.3(3) . .
O23 W2 O24 101.7(4) . .
O23 W2 O11 102.3(4) . .
O24 W2 O11 91.0(4) . .
O23 W2 O20 100.2(4) . .
O24 W2 O20 90.7(4) . .
O11 W2 O20 156.6(4) . .
O23 W2 O25 101.2(4) . .
O24 W2 O25 156.9(4) . .
O11 W2 O25 86.6(4) . .
O20 W2 O25 82.7(4) . .
O23 W2 O4 170.7(4) . .
O24 W2 O4 84.7(3) . .
O11 W2 O4 84.2(3) . .
O20 W2 O4 72.7(3) . .
O25 W2 O4 72.2(3) . .
O8 W3 O15 103.0(4) . 5_666
O8 W3 O6 104.7(4) . .
O15 W3 O6 93.9(4) 5_666 .
O8 W3 O11 99.4(4) . .
O15 W3 O11 88.1(4) 5_666 .
O6 W3 O11 154.7(4) . .
O8 W3 O33 101.4(4) . .
O15 W3 O33 155.1(4) 5_666 .
O6 W3 O33 84.8(4) . .
O11 W3 O33 82.9(4) . .
O8 W3 O1 173.6(4) . .
O15 W3 O1 83.3(3) 5_666 .
O6 W3 O1 73.7(3) . .
O11 W3 O1 81.5(3) . .
O33 W3 O1 72.4(3) . .
O9 W4 O5 104.5(4) . .
O9 W4 O10 101.3(4) . .
O5 W4 O10 93.0(4) . .
O9 W4 O7 98.3(4) . .
O5 W4 O7 156.3(4) . .
O10 W4 O7 88.6(4) . .
O9 W4 O6 100.6(4) . .
O5 W4 O6 87.3(4) . .
O10 W4 O6 157.3(4) . .
O7 W4 O6 82.4(4) . .
O9 W4 O1 168.6(4) . .
O5 W4 O1 84.9(4) . .
O10 W4 O1 84.3(3) . .
O7 W4 O1 71.7(3) . .
O6 W4 O1 73.1(3) . .
O32 W5 O14 102.3(4) . .
O32 W5 O28 102.2(4) . .
O14 W5 O28 90.7(4) . .
O32 W5 O27 102.2(4) . .
O14 W5 O27 87.7(4) . .
O28 W5 O27 155.4(4) . .
O32 W5 O26 102.8(4) . .
O14 W5 O26 154.7(4) . .
O28 W5 O26 86.6(4) . .
O27 W5 O26 84.6(4) . .
O31 W6 O17 106.1(4) 7_765 .
O31 W6 O22 101.4(4) 7_765 .
O17 W6 O22 93.8(4) . .
O31 W6 O35 99.6(4) 7_765 .
O17 W6 O35 90.2(4) . .
O22 W6 O35 156.6(4) . .
O31 W6 O28 97.5(4) 7_765 .
O17 W6 O28 155.9(4) . .
O22 W6 O28 85.8(4) . .
O35 W6 O28 81.3(4) . .
O31 W6 O2 168.4(4) 7_765 .
O17 W6 O2 83.4(3) . .
O22 W6 O2 84.2(3) . .
O35 W6 O2 73.4(3) . .
O28 W6 O2 72.6(3) . .
O19 W8 O16 103.1(4) . .
O19 W8 O22 103.6(4) . .
O16 W8 O22 95.9(4) . .
O19 W8 O20 99.3(4) . .
O16 W8 O20 87.7(4) . .
O22 W8 O20 155.3(4) . .
O19 W8 O21 99.9(4) . .
O16 W8 O21 156.2(4) . .
O22 W8 O21 84.8(4) . .
O20 W8 O21 82.4(4) . .
O19 W8 O4 168.3(4) . .
O16 W8 O4 84.4(4) . .
O22 W8 O4 84.3(4) . .
O20 W8 O4 71.7(3) . .
O21 W8 O4 71.9(3) . .
O13 W9 O12 104.4(4) . .
O13 W9 O10 103.4(4) . .
O12 W9 O10 93.5(4) . .
O13 W9 O35 96.9(4) . .
O12 W9 O35 91.7(4) . .
O10 W9 O35 157.0(4) . .
O13 W9 O14 100.0(4) . .
O12 W9 O14 155.3(4) . .
O10 W9 O14 84.1(4) . .
O35 W9 O14 81.9(4) . .
O13 W9 O2 168.1(4) . .
O12 W9 O2 83.2(4) . .
O10 W9 O2 84.9(3) . .
O35 W9 O2 73.5(3) . .
O14 W9 O2 72.1(3) . .
O30 W10 O34 103.6(4) . .
O30 W10 O33 102.7(4) . .
O34 W10 O33 86.6(4) . .
O30 W10 O7 101.3(4) . .
O34 W10 O7 155.1(4) . .
O33 W10 O7 89.5(4) . .
O30 W10 O27 101.6(4) . .
O34 W10 O27 87.2(4) . .
O33 W10 O27 155.6(3) . .
O7 W10 O27 86.3(4) . .
O30 W10 O1 170.0(4) . .
O34 W10 O1 84.9(3) . .
O33 W10 O1 72.2(3) . .
O7 W10 O1 70.5(3) . .
O27 W10 O1 83.8(3) . .
O2W Co2 O4W 175.2(5) . .
O2W Co2 O3W 88.7(5) . .
O4W Co2 O3W 86.6(5) . .
O2W Co2 O31 87.1(4) . .
O4W Co2 O31 92.3(4) . .
O3W Co2 O31 90.7(4) . .
O2W Co2 N4 95.9(5) . 5_666
O4W Co2 N4 88.8(5) . 5_666
O3W Co2 N4 175.0(5) . 5_666
O31 Co2 N4 87.5(4) . 5_666
O2W Co2 O13 89.0(4) . .
O4W Co2 O13 91.5(4) . .
O3W Co2 O13 87.9(4) . .
O31 Co2 O13 175.9(4) . .
N4 Co2 O13 94.2(4) 5_666 .
O12 Co3 O17 91.4(4) . .
O12 Co3 O15 172.7(4) . .
O17 Co3 O15 94.4(4) . .
O12 Co3 O24 91.3(4) . 5_666
O17 Co3 O24 174.5(4) . 5_666
O15 Co3 O24 82.6(3) . 5_666
O12 Co3 O1W 87.5(4) . .
O17 Co3 O1W 89.9(4) . .
O15 Co3 O1W 96.8(4) . .
O24 Co3 O1W 95.0(4) 5_666 .
O12 Co3 O3 91.0(3) . .
O17 Co3 O3 93.4(3) . .
O15 Co3 O3 84.3(3) . .
O24 Co3 O3 81.7(3) 5_666 .
O1W Co3 O3 176.4(4) . .
O16 Co4 O15 91.2(4) . .
O16 Co4 O5 95.0(4) . 5_666
O15 Co4 O5 99.2(4) . 5_666
O16 Co4 O24 97.9(4) . .
O15 Co4 O24 164.3(4) . .
O5 Co4 O24 92.7(4) 5_666 .
O16 Co4 O3 173.5(3) . 5_666
O15 Co4 O3 87.8(3) . 5_666
O5 Co4 O3 91.5(3) 5_666 5_666
O24 Co4 O3 81.7(3) . 5_666
O16 Co4 O3 88.5(3) . .
O15 Co4 O3 82.0(3) . .
O5 Co4 O3 176.2(3) 5_666 .
O24 Co4 O3 85.4(3) . .
O3 Co4 O3 85.0(3) 5_666 .
O6W Co5 O5W 178.5(4) . .
O6W Co5 O29 89.6(4) . .
O5W Co5 O29 89.7(4) . .
O6W Co5 N3 88.6(5) . .
O5W Co5 N3 90.2(5) . .
O29 Co5 N3 92.9(4) . .
O6W Co5 N13 88.9(5) . .
O5W Co5 N13 92.4(5) . .
O29 Co5 N13 87.1(4) . .
N3 Co5 N13 177.5(5) . .
O6W Co5 O30 90.8(4) . 4_655
O5W Co5 O30 90.1(4) . 4_655
O29 Co5 O30 176.6(4) . 4_655
N3 Co5 O30 90.6(4) . 4_655
N13 Co5 O30 89.5(4) . 4_655
O8W Co6 O8W 180.00(12) . 5_656
O8W Co6 O9W 90.3(4) . 5_656
O8W Co6 O9W 89.7(4) 5_656 5_656
O8W Co6 O9W 89.7(4) . .
O8W Co6 O9W 90.3(4) 5_656 .
O9W Co6 O9W 180.0(6) 5_656 .
O8W Co6 O7W 91.0(4) . .
O8W Co6 O7W 89.0(4) 5_656 .
O9W Co6 O7W 91.2(5) 5_656 .
O9W Co6 O7W 88.8(5) . .
O8W Co6 O7W 89.0(4) . 5_656
O8W Co6 O7W 91.0(4) 5_656 5_656
O9W Co6 O7W 88.8(5) 5_656 5_656
O9W Co6 O7W 91.2(5) . 5_656
O7W Co6 O7W 180.0(5) . 5_656
O1 P1 O3 110.1(5) . .
O1 P1 O4 108.2(5) . .
O3 P1 O4 111.1(5) . .
O1 P1 O2 108.3(5) . .
O3 P1 O2 111.1(5) . .
O4 P1 O2 107.8(5) . .
N9 C1 N8 124.6(13) . .
N9 C1 C22 119.7(13) . .
N8 C1 C22 115.7(13) . .
N8 C2 N10 125.1(14) . .
N8 C2 C4 116.6(13) . .
N10 C2 C4 118.3(13) . .
N10 C3 N9 125.7(14) . .
N10 C3 C5 119.4(12) . .
N9 C3 C5 114.8(13) . .
C30 C4 C32 118.1(14) . .
C30 C4 C2 120.2(14) . .
C32 C4 C2 121.6(13) . .
C6 C5 C7 120.7(13) . .
C6 C5 C3 120.3(13) . .
C7 C5 C3 119.0(13) . .
C21 C6 C5 117.6(15) . .
C21 C6 H6 121.2 . .
C5 C6 H6 121.2 . .
C8 C7 C5 117.0(14) . .
C8 C7 H7 121.5 . .
C5 C7 H7 121.5 . .
N11 C8 C7 124.4(15) . .
N11 C8 H8 117.8 . .
C7 C8 H8 117.8 . .
N6 C9 N5 125.6(13) . .
N6 C9 C15 117.4(13) . .
N5 C9 C15 117.0(12) . .
N7 C10 N5 125.8(13) . .
N7 C10 C17 116.7(12) . .
N5 C10 C17 117.5(12) . .
N6 C11 N7 125.8(12) . .
N6 C11 C12 117.7(12) . .
N7 C11 C12 116.5(11) . .
C24 C12 C13 122.3(13) . .
C24 C12 C11 118.7(13) . .
C13 C12 C11 118.8(12) . .
C12 C13 C14 116.3(12) . .
C12 C13 H13 121.9 . .
C14 C13 H13 121.9 . .
N3 C14 C13 123.9(13) . .
N3 C14 H14 118.0 . .
C13 C14 H14 118.0 . .
C34 C15 C16 118.2(13) . .
C34 C15 C9 119.6(13) . .
C16 C15 C9 122.2(13) . .
C27 C16 C15 118.9(14) . .
C27 C16 H16 120.5 . .
C15 C16 H16 120.5 . .
C26 C17 C18 118.4(14) . .
C26 C17 C10 120.7(13) . .
C18 C17 C10 120.8(13) . .
C19 C18 C17 120.5(15) . .
C19 C18 H18 119.7 . .
C17 C18 H18 119.7 . .
C18 C19 N12 121.2(15) . .
C18 C19 H19 119.4 . .
N12 C19 H19 119.4 . .
N3 C20 C24 123.4(13) . .
N3 C20 H20 118.3 . .
C24 C20 H20 118.3 . .
N11 C21 C6 123.8(15) . .
N11 C21 H21 118.1 . .
C6 C21 H21 118.1 . .
C28 C22 C23 119.3(13) . .
C28 C22 C1 120.1(13) . .
C23 C22 C1 120.5(13) . .
C25 C23 C22 118.2(13) . .
C25 C23 H23 120.9 . .
C22 C23 H23 120.9 . .
C12 C24 C20 116.8(13) . .
C12 C24 H24 121.6 . .
C20 C24 H24 121.6 . .
N13 C25 C23 123.6(13) . .
N13 C25 H25 118.2 . .
C23 C25 H25 118.2 . .
C36 C26 C17 118.6(14) . .
C36 C26 H26 120.7 . .
C17 C26 H26 120.7 . .
N4 C27 C16 124.6(14) . .
N4 C27 H27 117.7 . .
C16 C27 H27 117.7 . .
C22 C28 C29 118.8(14) . .
C22 C28 H28 120.6 . .
C29 C28 H28 120.6 . .
N13 C29 C28 122.2(14) . .
N13 C29 H29 118.9 . .
C28 C29 H29 118.9 . .
C31 C30 C4 119.2(15) . .
C31 C30 H30 120.4 . .
C4 C30 H30 120.4 . .
N14 C31 C30 124.1(16) . .
N14 C31 H31 118.0 . .
C30 C31 H31 118.0 . .
C33 C32 C4 117.7(17) . .
C33 C32 H32 121.1 . .
C4 C32 H32 121.1 . .
N14 C33 C32 125.2(19) . .
N14 C33 H33 117.4 . .
C32 C33 H33 117.4 . .
C15 C34 C35 118.5(14) . .
C15 C34 H34 120.8 . .
C35 C34 H34 120.8 . .
N4 C35 C34 124.2(15) . .
N4 C35 H35 117.9 . .
C34 C35 H35 117.9 . .
C26 C36 N12 124.5(16) . .
C26 C36 H36 117.7 . .
N12 C36 H36 117.7 . .
C20 N3 C14 116.7(12) . .
C20 N3 Co5 120.7(10) . .
C14 N3 Co5 120.0(9) . .
C35 N4 C27 115.4(13) . .
C35 N4 Co2 122.4(11) . 5_666
C27 N4 Co2 122.0(9) . 5_666
C10 N5 C9 114.4(12) . .
C9 N6 C11 114.0(12) . .
C10 N7 C11 114.1(12) . .
C2 N8 C1 115.6(13) . .
C1 N9 C3 114.9(12) . .
C3 N10 C2 114.0(12) . .
C8 N11 C21 116.3(13) . .
C36 N12 C19 116.7(14) . .
C25 N13 C29 117.4(12) . .
C25 N13 Co5 118.6(9) . .
C29 N13 Co5 121.5(10) . .
C31 N14 C33 115.6(15) . .
P1 O1 W4 126.6(5) . .
P1 O1 W3 125.7(5) . .
W4 O1 W3 88.2(3) . .
P1 O1 W10 127.2(4) . .
W4 O1 W10 89.3(3) . .
W3 O1 W10 87.2(3) . .
P1 O2 W6 126.8(5) . .
P1 O2 W9 125.3(5) . .
W6 O2 W9 89.6(3) . .
P1 O3 Co3 122.1(5) . .
P1 O3 Co4 122.9(5) . 5_666
Co3 O3 Co4 94.8(3) . 5_666
P1 O3 Co4 122.5(5) . .
Co3 O3 Co4 91.5(3) . .
Co4 O3 Co4 95.0(3) 5_666 .
P1 O4 W2 124.4(5) . .
P1 O4 W8 124.4(4) . .
W2 O4 W8 90.5(3) . .
P1 O4 W1 128.1(5) . .
W2 O4 W1 88.8(3) . .
W8 O4 W1 89.2(3) . .
W4 O5 Co4 135.4(5) . 5_666
W3 O6 W4 124.7(5) . .
W10 O7 W4 128.1(5) . .
W9 O10 W4 149.9(5) . .
W2 O11 W3 149.6(5) . .
W9 O12 Co3 137.3(5) . .
W9 O13 Co2 145.4(6) . .
W5 O14 W9 127.1(5) . .
W3 O15 Co4 131.5(5) 5_666 .
W3 O15 Co3 126.0(5) 5_666 .
Co4 O15 Co3 101.4(4) . .
W8 O16 Co4 139.0(5) . .
W6 O17 Co3 138.3(5) . .
W2 O20 W8 124.7(5) . .
W1 O21 W8 126.3(5) . .
W8 O22 W6 147.7(5) . .
W2 O24 Co4 133.3(5) . .
W2 O24 Co3 124.0(4) . 5_666
Co4 O24 Co3 101.2(4) . 5_666
W1 O25 W2 127.5(4) . .
W1 O26 W5 151.5(6) . .
W5 O27 W10 151.4(5) . .
W5 O28 W6 126.9(4) . .
W1 O29 Co5 167.2(6) . .
W10 O30 Co5 161.5(6) . 4_645
W6 O31 Co2 163.6(5) 7_755 .
W10 O33 W3 127.7(4) . .
W9 O35 W6 122.4(5) . .
W10 O34 W1 149.5(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O29 1.733(9) .
W1 O21 1.861(9) .
W1 O25 1.877(8) .
W1 O26 1.902(9) .
W1 O34 1.975(9) .
W1 O4 2.501(8) .
W2 O23 1.722(10) .
W2 O24 1.829(8) .
W2 O11 1.879(9) .
W2 O20 1.913(9) .
W2 O25 1.958(8) .
W2 O4 2.414(9) .
W3 O8 1.699(9) .
W3 O15 1.833(8) 5_666
W3 O6 1.862(10) .
W3 O11 1.947(10) .
W3 O33 1.956(8) .
W3 O1 2.474(8) .
W4 O9 1.731(10) .
W4 O5 1.800(8) .
W4 O10 1.917(9) .
W4 O7 1.977(9) .
W4 O6 1.981(9) .
W4 O1 2.420(9) .
W5 O32 1.699(8) .
W5 O14 1.876(10) .
W5 O28 1.878(9) .
W5 O27 1.905(9) .
W5 O26 1.932(10) .
W6 O31 1.747(9) 7_765
W6 O17 1.758(9) .
W6 O22 1.921(10) .
W6 O35 1.952(10) .
W6 O28 2.018(8) .
W6 O2 2.401(8) .
W8 O19 1.719(9) .
W8 O16 1.761(9) .
W8 O22 1.891(9) .
W8 O20 1.963(9) .
W8 O21 2.012(9) .
W8 O4 2.423(9) .
W9 O13 1.754(10) .
W9 O12 1.777(9) .
W9 O10 1.909(9) .
W9 O35 1.919(10) .
W9 O14 2.030(9) .
W9 O2 2.416(9) .
W10 O30 1.735(8) .
W10 O34 1.859(9) .
W10 O33 1.886(8) .
W10 O7 1.889(9) .
W10 O27 1.916(9) .
W10 O1 2.526(8) .
Co2 O2W 2.064(11) .
Co2 O4W 2.073(11) .
Co2 O3W 2.083(11) .
Co2 O31 2.103(9) .
Co2 N4 2.136(11) 5_666
Co2 O13 2.179(10) .
Co3 O12 2.051(9) .
Co3 O17 2.057(9) .
Co3 O15 2.091(9) .
Co3 O24 2.123(9) 5_666
Co3 O1W 2.134(9) .
Co3 O3 2.153(8) .
Co4 O16 2.002(9) .
Co4 O15 2.033(9) .
Co4 O5 2.036(9) 5_666
Co4 O24 2.048(9) .
Co4 O3 2.225(8) 5_666
Co4 O3 2.297(8) .
Co5 O6W 2.087(11) .
Co5 O5W 2.091(10) .
Co5 O29 2.095(9) .
Co5 N3 2.123(12) .
Co5 N13 2.120(12) .
Co5 O30 2.131(9) 4_655
Co6 O8W 2.057(11) .
Co6 O8W 2.057(11) 5_656
Co6 O9W 2.101(11) 5_656
Co6 O9W 2.101(11) .
Co6 O7W 2.150(12) .
Co6 O7W 2.150(12) 5_656
P1 O1 1.529(9) .
P1 O3 1.541(8) .
P1 O4 1.549(9) .
P1 O2 1.548(9) .
C1 N9 1.311(18) .
C1 N8 1.333(18) .
C1 C22 1.482(18) .
C2 N8 1.306(18) .
C2 N10 1.335(19) .
C2 C4 1.50(2) .
C3 N10 1.321(19) .
C3 N9 1.325(18) .
C3 C5 1.518(19) .
C4 C30 1.36(2) .
C4 C32 1.37(2) .
C5 C6 1.37(2) .
C5 C7 1.38(2) .
C6 C21 1.37(2) .
C6 H6 0.9300 .
C7 C8 1.38(2) .
C7 H7 0.9300 .
C8 N11 1.320(19) .
C8 H8 0.9300 .
C9 N6 1.310(17) .
C9 N5 1.342(18) .
C9 C15 1.492(18) .
C10 N7 1.311(17) .
C10 N5 1.317(17) .
C10 C17 1.506(19) .
C11 N6 1.322(17) .
C11 N7 1.337(18) .
C11 C12 1.517(18) .
C12 C24 1.357(18) .
C12 C13 1.356(19) .
C13 C14 1.416(19) .
C13 H13 0.9300 .
C14 N3 1.344(17) .
C14 H14 0.9300 .
C15 C34 1.37(2) .
C15 C16 1.372(19) .
C16 C27 1.365(19) .
C16 H16 0.9300 .
C17 C26 1.38(2) .
C17 C18 1.40(2) .
C18 C19 1.36(2) .
C18 H18 0.9300 .
C19 N12 1.37(2) .
C19 H19 0.9300 .
C20 N3 1.328(18) .
C20 C24 1.423(19) .
C20 H20 0.9300 .
C21 N11 1.36(2) .
C21 H21 0.9300 .
C22 C28 1.36(2) .
C22 C23 1.40(2) .
C23 C25 1.35(2) .
C23 H23 0.9300 .
C24 H24 0.9300 .
C25 N13 1.338(18) .
C25 H25 0.9300 .
C26 C36 1.35(2) .
C26 H26 0.9300 .
C27 N4 1.345(18) .
C27 H27 0.9300 .
C28 C29 1.37(2) .
C28 H28 0.9300 .
C29 N13 1.362(18) .
C29 H29 0.9300 .
C30 C31 1.35(2) .
C30 H30 0.9300 .
C31 N14 1.31(2) .
C31 H31 0.9300 .
C32 C33 1.35(2) .
C32 H32 0.9300 .
C33 N14 1.33(2) .
C33 H33 0.9300 .
C34 C35 1.40(2) .
C34 H34 0.9300 .
C35 N4 1.312(18) .
C35 H35 0.9300 .
C36 N12 1.36(2) .
C36 H36 0.9300 .
N4 Co2 2.136(11) 5_666
O3 Co4 2.225(8) 5_666
O5 Co4 2.036(9) 5_666
O15 W3 1.833(8) 5_666
O24 Co3 2.123(9) 5_666
O30 Co5 2.131(9) 4_645
O31 W6 1.747(9) 7_755
