#------------------------------------------------------------------------------
#$Date: 2016-03-24 01:36:23 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179538 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/07/4500753.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_4500753
loop_
_publ_author_name
'McGlone, Thomas'
'Streb, Carsten'
'Busquets-Fité, Martí'
'Yan, Jun'
'Gabb, David'
'Long, De-Liang'
'Cronin, Leroy'
_publ_section_title
;
 Silver Linked Polyoxometalate Open Frameworks (Ag-POMOFs) for the
 Directed Fabrication of Silver Nanomaterials
;
_journal_issue                   6
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              2471
_journal_paper_doi               10.1021/cg2002496
_journal_volume                  11
_journal_year                    2011
_chemical_formula_sum            'C76 H179 N10 O60 Sb W18'
_chemical_formula_weight         5624.34
_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                92.7760(10)
_cell_angle_beta                 109.4300(10)
_cell_angle_gamma                108.9400(10)
_cell_formula_units_Z            2
_cell_length_a                   16.5543(3)
_cell_length_b                   20.5284(3)
_cell_length_c                   22.6908(3)
_cell_measurement_reflns_used    39968
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.6676
_cell_measurement_theta_min      2.8335
_cell_volume                     6771.7(2)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.41 (release 06-05-2009 CrysAlis171 .NET)
(compiled May  6 2009,17:20:42)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.41 (release 06-05-2009 CrysAlis171 .NET)
(compiled May  6 2009,17:20:42)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.41 (release 06-05-2009 CrysAlis171 .NET)
(compiled May  6 2009,17:20:42)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Oxford Gemini CCD'
_diffrn_measurement_method       'ω & π scan'
_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  0.0476
_diffrn_reflns_av_sigmaI/netI    0.0572
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            112087
_diffrn_reflns_theta_full        25.72
_diffrn_reflns_theta_max         25.72
_diffrn_reflns_theta_min         2.90
_diffrn_standards_decay_%        none
_exptl_absorpt_coefficient_mu    15.493
_exptl_absorpt_correction_T_max  0.4102
_exptl_absorpt_correction_T_min  0.1476
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.41 (release 06-05-2009 CrysAlis171 .NET)
(compiled May  6 2009,17:20:42)
Analytical numeric absorption correction using a multifaceted crystal
            model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.758
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5136
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.07
_refine_diff_density_max         2.551
_refine_diff_density_min         -1.702
_refine_diff_density_rms         0.228
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.930
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     955
_refine_ls_number_reflns         25681
_refine_ls_number_restraints     19
_refine_ls_restrained_S_all      0.932
_refine_ls_R_factor_all          0.0641
_refine_ls_R_factor_gt           0.0394
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0674P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1085
_refine_ls_wR_factor_ref         0.1137
_reflns_number_gt                17047
_reflns_number_total             25681
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg2002496_si_002.cif
_cod_data_source_block           TBA-2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        6771.66(18)
_cod_original_sg_symbol_H-M      p-1
_cod_database_code               4500753
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
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W 0.67424(3) 0.55336(3) 0.17637(2) 0.04312(13) Uani 1 1 d . . .
W2 W 0.79685(4) 0.77211(2) 0.52510(2) 0.04405(13) Uani 1 1 d . . .
W3 W 0.77568(4) 0.92187(2) 0.60763(2) 0.04653(14) Uani 1 1 d . . .
W4 W 1.02442(4) 0.84408(2) 0.59322(2) 0.04564(14) Uani 1 1 d . . .
W5 W 0.92530(4) 0.79777(2) 0.43673(2) 0.04364(13) Uani 1 1 d . . .
W6 W 0.66174(4) 0.69245(3) -0.00084(2) 0.04858(14) Uani 1 1 d . . .
W7 W 0.73385(3) 0.61343(3) -0.09319(2) 0.04636(14) Uani 1 1 d . . .
W8 W 0.50055(3) 0.46101(3) 0.21451(2) 0.04406(13) Uani 1 1 d . . .
W9 W 0.66343(4) 0.87221(2) 0.43414(2) 0.04774(14) Uani 1 1 d . . .
W10 W 1.00155(4) 0.99621(3) 0.67470(2) 0.04505(13) Uani 1 1 d . . .
W11 W 0.37368(4) 0.57649(3) 0.15085(2) 0.04930(14) Uani 1 1 d . . .
W12 W 0.54861(4) 0.67258(3) 0.11293(2) 0.04728(14) Uani 1 1 d . . .
W13 W 0.77221(3) 0.58654(3) 0.05498(2) 0.04634(13) Uani 1 1 d . . .
W14 W 0.57482(4) 0.38129(3) 0.12554(2) 0.04951(14) Uani 1 1 d . . .
W15 W 0.78984(4) 0.89851(2) 0.34475(2) 0.04885(14) Uani 1 1 d . . .
W16 W 0.33930(4) 0.60630(3) 0.00359(2) 0.05193(14) Uani 1 1 d . . .
W17 W 1.12023(4) 0.91595(2) 0.40758(3) 0.05166(15) Uani 1 1 d . . .
W18 W 1.23260(4) 0.96780(3) 0.58430(3) 0.05677(16) Uani 1 1 d . . .
Sb1 Sb 0.94110(10) 0.96547(7) 0.50560(6) 0.0340(3) Uani 0.50 1 d P . .
Sb2 Sb 0.47043(10) 0.49396(7) 0.03623(6) 0.0314(3) Uani 0.50 1 d P . .
O1 O 0.4569(5) 0.5346(4) 0.2012(3) 0.043(2) Uani 1 1 d . . .
O2 O 0.8372(5) 0.8305(3) 0.3798(3) 0.042(2) Uani 1 1 d . . .
O3 O 0.6242(5) 0.5260(4) 0.2415(3) 0.0389(18) Uani 1 1 d . . .
O4 O 0.6199(5) 0.6222(4) 0.1625(3) 0.042(2) Uani 1 1 d . . .
O5 O 0.5322(5) 0.4764(3) 0.1231(3) 0.0362(18) Uani 1 1 d . . .
O6 O 0.6486(5) 0.5800(4) -0.0303(3) 0.0397(19) Uani 1 1 d . . .
O7 O 0.9689(5) 1.0784(4) 0.6723(3) 0.044(2) Uani 1 1 d . . .
O8 O 0.5895(5) 0.6526(4) 0.0478(3) 0.0394(18) Uani 1 1 d . . .
O9 O 0.9119(5) 0.8645(3) 0.5129(3) 0.0375(18) Uani 1 1 d . . .
O10 O 0.4350(5) 0.5663(4) 0.0750(3) 0.0392(18) Uani 1 1 d . . .
O11 O 0.3785(6) 0.4012(4) 0.1599(4) 0.052(2) Uani 1 1 d . . .
O12 O 0.8173(5) 0.6124(4) -0.0114(3) 0.045(2) Uani 1 1 d . . .
O13 O 0.9092(6) 0.7755(4) 0.5869(3) 0.049(2) Uani 1 1 d . . .
O14 O 0.5409(6) 0.3863(4) 0.1970(3) 0.046(2) Uani 1 1 d . . .
O15 O 0.6861(5) 0.4603(4) 0.1718(3) 0.0383(18) Uani 1 1 d . . .
O16 O 0.5996(5) 0.4062(4) 0.0507(3) 0.0410(19) Uani 1 1 d . . .
O17 O 1.0878(5) 1.0401(3) 0.6367(3) 0.0390(19) Uani 1 1 d . . .
O18 O 0.4819(6) 0.6606(4) 0.1699(3) 0.048(2) Uani 1 1 d . . .
O19 O 0.8279(6) 0.7364(3) 0.4596(3) 0.042(2) Uani 1 1 d . . .
O20 O 0.7626(5) 0.6775(4) 0.0631(3) 0.043(2) Uani 1 1 d . . .
O21 O 0.7128(5) 0.8028(4) 0.4626(3) 0.046(2) Uani 1 1 d . . .
O22 O 1.0109(6) 0.7907(4) 0.5146(3) 0.045(2) Uani 1 1 d . . .
O23 O 0.8853(6) 0.9468(4) 0.6814(3) 0.048(2) Uani 1 1 d . . .
O24 O 1.0092(6) 0.9088(4) 0.6465(3) 0.048(2) Uani 1 1 d . . .
O25 O 1.0193(5) 0.8795(3) 0.4343(3) 0.0400(19) Uani 1 1 d . . .
O26 O 1.1084(5) 0.9208(3) 0.5732(3) 0.043(2) Uani 1 1 d . . .
O27 O 0.7869(6) 1.0186(4) 0.6150(4) 0.049(2) Uani 1 1 d . . .
O28 O 0.8091(5) 0.9413(3) 0.4430(3) 0.0395(19) Uani 1 1 d . . .
O29 O 0.9296(6) 0.7365(4) 0.3843(3) 0.048(2) Uani 1 1 d . . .
O30 O 0.4531(6) 0.3305(4) 0.0714(3) 0.052(2) Uani 1 1 d . . .
O31 O 0.7397(5) 0.4888(4) 0.0246(4) 0.048(2) Uani 1 1 d . . .
O32 O 0.6982(6) 0.9080(4) 0.5213(4) 0.048(2) Uani 1 1 d . . .
O33 O 0.7921(6) 0.8372(3) 0.5847(3) 0.045(2) Uani 1 1 d . . .
O34 O 0.6748(5) 0.8490(3) 0.3528(3) 0.044(2) Uani 1 1 d . . .
O35 O 0.6866(5) 0.5576(4) 0.0960(3) 0.0376(18) Uani 1 1 d . . .
O36 O 0.8938(5) 0.9795(3) 0.5761(3) 0.0416(19) Uani 1 1 d . . .
O37 O 0.7522(5) 0.9798(4) 0.3367(3) 0.047(2) Uani 1 1 d . . .
O38 O 0.7092(5) 0.5169(4) -0.1154(3) 0.050(2) Uani 1 1 d . . .
O39 O 0.6195(7) 0.3174(4) 0.1399(4) 0.064(3) Uani 1 1 d . . .
O40 O 0.7264(5) 0.6968(4) -0.0577(3) 0.050(2) Uani 1 1 d . . .
O41 O 0.8011(5) 1.0623(4) 0.5056(4) 0.050(2) Uani 1 1 d . . .
O42 O 0.7243(6) 0.6955(4) 0.5344(4) 0.056(2) Uani 1 1 d . . .
O43 O 0.7842(6) 0.6031(4) 0.2257(4) 0.054(2) Uani 1 1 d . . .
O44 O 1.0990(6) 0.8149(4) 0.6471(4) 0.062(3) Uani 1 1 d . . .
O45 O 0.4979(6) 0.4472(4) 0.2876(4) 0.057(2) Uani 1 1 d . . .
O46 O 1.0732(6) 1.0138(4) 0.7526(4) 0.059(2) Uani 1 1 d . . .
O47 O 0.6574(5) 0.9594(4) 0.4131(4) 0.048(2) Uani 1 1 d . . .
O48 O 0.3092(6) 0.6075(5) 0.0792(4) 0.057(2) Uani 1 1 d . . .
O49 O 1.2796(6) 0.9099(4) 0.6161(4) 0.070(3) Uani 1 1 d . . .
O50 O 0.4463(6) 0.6882(4) 0.0514(4) 0.050(2) Uani 1 1 d . . .
O51 O 0.6199(6) 0.7578(4) 0.1460(4) 0.059(2) Uani 1 1 d . . .
O52 O 1.1325(6) 0.8414(4) 0.3830(4) 0.061(3) Uani 1 1 d . . .
O53 O 0.8726(6) 0.6050(4) 0.1164(4) 0.059(2) Uani 1 1 d . . .
O54 O 0.7553(6) 0.8693(4) 0.2656(4) 0.060(3) Uani 1 1 d . . .
O55 O 0.5487(6) 0.8245(4) 0.4132(4) 0.055(2) Uani 1 1 d . . .
O56 O 0.6967(6) 0.8931(4) 0.6424(4) 0.061(3) Uani 1 1 d . . .
O57 O 0.2739(7) 0.6492(5) -0.0379(4) 0.069(3) Uani 1 1 d . . .
O58 O 0.6906(6) 0.7789(4) 0.0237(4) 0.062(3) Uani 1 1 d . . .
O59 O 0.8119(6) 0.6508(5) -0.1266(4) 0.060(3) Uani 1 1 d . . .
O60 O 0.3340(6) 0.6016(5) 0.2053(4) 0.067(3) Uani 1 1 d . . .
N1 N 0.5728(7) 0.7107(5) 0.2976(5) 0.047(3) Uani 1 1 d . . .
N2 N 0.8351(8) 0.5291(5) 0.4057(5) 0.054(3) Uani 1 1 d . . .
N3 N 0.2954(9) 0.2817(6) 0.2886(6) 0.072(3) Uiso 1 1 d . C .
N4 N 0.6436(15) 0.9579(10) 0.1259(10) 0.156(7) Uiso 1 1 d D . .
N5 N 0.8288(11) 0.3674(9) 0.5074(8) 0.109(5) Uiso 1 1 d . . .
N6 N 0.924(2) 0.7771(14) 0.2664(14) 0.090(8) Uiso 0.50 1 d P A 1
N6' N 0.888(2) 0.7284(16) 0.2024(15) 0.108(10) Uiso 0.50 1 d P B 2
C1 C 0.5153(10) 0.6760(7) 0.3348(6) 0.061(4) Uiso 1 1 d . . .
C2 C 0.6529(9) 0.6878(6) 0.3081(6) 0.052(3) Uiso 1 1 d . . .
C3 C 0.8018(10) 0.4502(7) 0.3911(7) 0.063(4) Uiso 1 1 d . . .
C4 C 0.7350(14) 0.4205(8) 0.3157(9) 0.100(6) Uiso 1 1 d D . .
C5 C 0.7179(12) 0.3414(8) 0.3056(8) 0.089(5) Uiso 1 1 d D . .
C6 C 0.6480(15) 0.3100(11) 0.3306(10) 0.122(7) Uiso 1 1 d D . .
C7 C 0.8975(9) 0.5448(6) 0.4753(6) 0.048(3) Uiso 1 1 d . . .
C8 C 0.9395(9) 0.6246(6) 0.5029(6) 0.048(3) Uiso 1 1 d . . .
C9 C 0.9926(9) 0.6335(7) 0.5763(6) 0.057(3) Uiso 1 1 d . . .
C10 C 0.9287(12) 0.6130(8) 0.6148(8) 0.083(5) Uiso 1 1 d . . .
C11 C 0.7586(9) 0.5573(6) 0.3966(6) 0.052(3) Uiso 1 1 d . . .
C12 C 0.7011(11) 0.5276(8) 0.4334(7) 0.072(4) Uiso 1 1 d . . .
C13 C 0.6231(11) 0.5619(8) 0.4186(7) 0.074(4) Uiso 1 1 d D . .
C14 C 0.5623(12) 0.5391(9) 0.4570(8) 0.090(5) Uiso 1 1 d D . .
C15 C 0.8869(10) 0.5646(7) 0.3629(7) 0.064(4) Uiso 1 1 d . . .
C16 C 0.9689(12) 0.5436(8) 0.3652(8) 0.084(5) Uiso 1 1 d . . .
C17 C 1.0162(15) 0.5890(11) 0.3255(10) 0.115(7) Uiso 1 1 d D . .
C18 C 1.0988(18) 0.5721(15) 0.3261(14) 0.096(9) Uiso 0.60 1 d PD . .
C19 C 0.522(2) 0.8521(15) 0.0363(12) 0.089(9) Uiso 0.60 1 d PD . .
C20 C 0.2992(10) 0.3561(7) 0.2855(6) 0.059(4) Uiso 1 1 d . . .
C21 C 0.3516(10) 0.2767(7) 0.3559(7) 0.066(4) Uiso 1 1 d . . .
C22 C 0.031(2) 0.1790(17) 0.2170(16) 0.111(11) Uiso 0.60 1 d PD . .
C23 C 0.2677(17) 0.3921(12) 0.3343(11) 0.132(8) Uiso 1 1 d D C 1
C24 C 0.1987(15) 0.2262(11) 0.2765(10) 0.114(7) Uiso 1 1 d D . .
C25 C 0.3326(14) 0.2659(9) 0.2384(9) 0.103(6) Uiso 1 1 d D . .
C26 C 0.1263(18) 0.2198(17) 0.2111(12) 0.088(10) Uiso 0.50 1 d PD C .
C27 C 0.3559(19) 0.1985(12) 0.2365(13) 0.086(8) Uiso 0.60 1 d PD C .
C28 C 0.5571(18) 0.9330(13) 0.0617(12) 0.074(7) Uiso 0.60 1 d P . .
C29 C 0.6104(17) 0.9162(12) 0.1773(12) 0.068(7) Uiso 0.60 1 d P D .
C30 C 0.8030(14) 0.2327(10) 0.4809(9) 0.108(6) Uiso 1 1 d . . .
C31 C 0.732(2) 1.0705(14) 0.2059(11) 0.095(9) Uiso 0.60 1 d PD . .
C32 C 0.457(2) 0.8266(16) -0.0318(12) 0.078(9) Uiso 0.50 1 d PD . .
C33' C 0.8461(13) 0.7783(9) 0.2177(9) 0.092(5) Uiso 1 1 d . A 1
C33 C 0.9864(15) 0.7478(10) 0.2432(10) 0.110(6) Uiso 1 1 d . A 1
C34 C 0.6624(18) 1.0364(11) 0.1402(11) 0.037(6) Uiso 0.40 1 d PD . .
C35 C 0.525(3) 0.9251(19) 0.1860(18) 0.072(10) Uiso 0.40 1 d P . .
C36 C 0.505(3) 0.8941(17) 0.2391(18) 0.067(10) Uiso 0.40 1 d PD D 1
C37 C 0.4551(14) 0.3218(10) 0.3806(9) 0.105(6) Uiso 1 1 d D C .
C38 C 0.231(2) 0.4453(16) 0.2994(17) 0.143(14) Uiso 0.60 1 d PD C 1
C39 C 0.466(3) 0.8212(17) 0.206(2) 0.090(13) Uiso 0.40 1 d PD D 1
C40 C 0.469(3) 0.873(2) 0.256(2) 0.086(13) Uiso 0.40 1 d P E 2
C41 C 0.8169(13) 0.3112(10) 0.4963(8) 0.091(5) Uiso 1 1 d . . .
C44 C 0.4980(17) 0.3105(12) 0.4486(10) 0.071(7) Uiso 0.60 1 d PD . .
C45 C 0.596(2) 0.352(3) 0.479(3) 0.093(18) Uiso 0.30 1 d PD C .
C46 C 0.321(2) 0.4900(16) 0.3372(15) 0.056(8) Uiso 0.40 1 d PD F 2
C48 C 0.394(3) 0.193(2) 0.1842(18) 0.089(13) Uiso 0.40 1 d PD . .
C49 C 0.7215(19) 0.9335(16) 0.1264(15) 0.057(9) Uiso 0.40 1 d PD . .
C51 C 0.759(3) 0.9720(18) 0.0807(16) 0.072(10) Uiso 0.40 1 d PD . .
C52 C 0.726(3) 1.1425(18) 0.222(2) 0.098(14) Uiso 0.40 1 d PD . .
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'
Sb Sb -0.5866 1.5461 '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'
N N 0.0061 0.0033 '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'
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
O43 W1 O4 101.0(4) . .
O43 W1 O35 100.3(4) . .
O4 W1 O35 89.3(3) . .
O43 W1 O3 97.8(3) . .
O4 W1 O3 90.8(3) . .
O35 W1 O3 161.5(3) . .
O43 W1 O15 99.3(4) . .
O4 W1 O15 159.8(3) . .
O35 W1 O15 87.8(3) . .
O3 W1 O15 85.8(3) . .
O43 W1 O5 170.7(3) . .
O4 W1 O5 85.5(3) . .
O35 W1 O5 86.3(3) . .
O3 W1 O5 75.3(3) . .
O15 W1 O5 74.3(3) . .
O42 W2 O33 100.8(4) . .
O42 W2 O13 99.5(4) . .
O33 W2 O13 87.7(3) . .
O42 W2 O19 99.4(3) . .
O33 W2 O19 159.8(3) . .
O13 W2 O19 90.2(3) . .
O42 W2 O21 101.7(4) . .
O33 W2 O21 85.4(3) . .
O13 W2 O21 158.6(3) . .
O19 W2 O21 89.3(3) . .
O42 W2 O9 169.7(4) . .
O33 W2 O9 86.6(3) . .
O13 W2 O9 73.4(3) . .
O19 W2 O9 73.6(3) . .
O21 W2 O9 86.0(3) . .
O56 W3 O32 101.2(4) . .
O56 W3 O23 99.0(4) . .
O32 W3 O23 159.8(3) . .
O56 W3 O33 101.8(4) . .
O32 W3 O33 86.0(3) . .
O23 W3 O33 89.5(3) . .
O56 W3 O27 97.9(4) . .
O32 W3 O27 88.5(3) . .
O23 W3 O27 89.0(3) . .
O33 W3 O27 160.2(3) . .
O56 W3 O36 168.7(3) . .
O32 W3 O36 86.0(3) . .
O23 W3 O36 74.1(3) . .
O33 W3 O36 87.2(3) . .
O27 W3 O36 73.5(3) . .
O44 W4 O24 101.6(4) . .
O44 W4 O26 101.0(4) . .
O24 W4 O26 89.0(3) . .
O44 W4 O13 100.2(4) . .
O24 W4 O13 90.1(3) . .
O26 W4 O13 158.5(3) . .
O44 W4 O22 99.8(4) . .
O24 W4 O22 158.6(3) . .
O26 W4 O22 85.6(3) . .
O13 W4 O22 87.4(3) . .
O44 W4 O9 170.7(3) . .
O24 W4 O9 85.4(3) . .
O26 W4 O9 85.2(3) . .
O13 W4 O9 73.4(3) . .
O22 W4 O9 73.5(3) . .
O29 W5 O25 101.1(3) . .
O29 W5 O22 100.8(4) . .
O25 W5 O22 87.9(3) . .
O29 W5 O2 100.6(4) . .
O25 W5 O2 87.9(3) . .
O22 W5 O2 158.7(3) . .
O29 W5 O19 98.1(3) . .
O25 W5 O19 160.8(3) . .
O22 W5 O19 87.9(3) . .
O2 W5 O19 89.2(3) . .
O29 W5 O9 171.3(3) . .
O25 W5 O9 86.6(3) . .
O22 W5 O9 75.2(3) . .
O2 W5 O9 83.7(3) . .
O19 W5 O9 74.2(3) . .
O58 W6 O8 101.1(4) . .
O58 W6 O40 100.0(4) . .
O8 W6 O40 158.9(3) . .
O58 W6 O30 102.6(4) . 2_665
O8 W6 O30 86.4(3) . 2_665
O40 W6 O30 91.0(3) . 2_665
O58 W6 O20 98.9(4) . .
O8 W6 O20 86.6(3) . .
O40 W6 O20 88.1(3) . .
O30 W6 O20 158.3(3) 2_665 .
O58 W6 O6 170.3(4) . .
O8 W6 O6 85.2(3) . .
O40 W6 O6 73.7(3) . .
O30 W6 O6 85.0(3) 2_665 .
O20 W6 O6 73.9(3) . .
O59 W7 O11 102.1(4) . 2_665
O59 W7 O38 102.1(4) . .
O11 W7 O38 86.6(4) 2_665 .
O59 W7 O40 98.6(4) . .
O11 W7 O40 88.6(4) 2_665 .
O38 W7 O40 159.3(3) . .
O59 W7 O12 98.7(4) . .
O11 W7 O12 159.2(3) 2_665 .
O38 W7 O12 88.6(3) . .
O40 W7 O12 88.8(3) . .
O59 W7 O6 168.4(3) . .
O11 W7 O6 86.5(3) 2_665 .
O38 W7 O6 86.1(3) . .
O40 W7 O6 73.5(3) . .
O12 W7 O6 73.0(3) . .
O45 W8 O1 102.1(4) . .
O45 W8 O3 98.2(3) . .
O1 W8 O3 90.2(3) . .
O45 W8 O11 101.3(4) . .
O1 W8 O11 86.0(3) . .
O3 W8 O11 160.5(3) . .
O45 W8 O14 98.2(4) . .
O1 W8 O14 159.5(3) . .
O3 W8 O14 89.8(3) . .
O11 W8 O14 87.2(3) . .
O45 W8 O5 168.4(4) . .
O1 W8 O5 86.7(3) . .
O3 W8 O5 74.0(3) . .
O11 W8 O5 86.7(3) . .
O14 W8 O5 73.6(3) . .
O55 W9 O32 101.8(4) . .
O55 W9 O47 100.0(4) . .
O32 W9 O47 89.9(3) . .
O55 W9 O21 99.7(4) . .
O32 W9 O21 86.4(3) . .
O47 W9 O21 160.3(3) . .
O55 W9 O34 98.2(4) . .
O32 W9 O34 159.7(3) . .
O47 W9 O34 90.0(3) . .
O21 W9 O34 86.9(3) . .
O55 W9 O28 169.0(3) . .
O32 W9 O28 87.1(3) . .
O47 W9 O28 73.4(3) . .
O21 W9 O28 87.2(3) . .
O34 W9 O28 73.4(3) . .
O46 W10 O17 100.2(4) . .
O46 W10 O23 100.7(4) . .
O17 W10 O23 159.1(3) . .
O46 W10 O7 99.0(4) . .
O17 W10 O7 88.2(3) . .
O23 W10 O7 87.3(3) . .
O46 W10 O24 100.6(4) . .
O17 W10 O24 86.9(3) . .
O23 W10 O24 90.5(3) . .
O7 W10 O24 160.3(3) . .
O46 W10 O36 171.7(4) . .
O17 W10 O36 84.9(3) . .
O23 W10 O36 74.2(3) . .
O7 W10 O36 74.5(3) . .
O24 W10 O36 86.1(3) . .
O60 W11 O48 100.3(4) . .
O60 W11 O38 103.2(4) . 2_665
O48 W11 O38 89.7(4) . 2_665
O60 W11 O1 101.2(4) . .
O48 W11 O1 158.5(3) . .
O38 W11 O1 85.7(3) 2_665 .
O60 W11 O18 97.6(4) . .
O48 W11 O18 90.7(4) . .
O38 W11 O18 158.8(3) 2_665 .
O1 W11 O18 86.2(3) . .
O60 W11 O10 168.3(4) . .
O48 W11 O10 73.0(3) . .
O38 W11 O10 86.7(3) 2_665 .
O1 W11 O10 85.7(3) . .
O18 W11 O10 73.2(3) . .
O51 W12 O8 102.4(4) . .
O51 W12 O50 99.9(4) . .
O8 W12 O50 90.5(3) . .
O51 W12 O4 101.0(4) . .
O8 W12 O4 86.6(3) . .
O50 W12 O4 159.0(3) . .
O51 W12 O18 96.5(4) . .
O8 W12 O18 161.0(3) . .
O50 W12 O18 87.8(4) . .
O4 W12 O18 88.3(3) . .
O51 W12 O10 169.0(4) . .
O8 W12 O10 87.1(3) . .
O50 W12 O10 74.2(3) . .
O4 W12 O10 84.9(3) . .
O18 W12 O10 74.3(3) . .
O53 W13 O35 101.2(4) . .
O53 W13 O12 99.9(4) . .
O35 W13 O12 158.7(3) . .
O53 W13 O31 102.3(4) . .
O35 W13 O31 86.9(3) . .
O12 W13 O31 91.2(3) . .
O53 W13 O20 97.8(4) . .
O35 W13 O20 87.3(3) . .
O12 W13 O20 87.3(3) . .
O31 W13 O20 159.8(3) . .
O53 W13 O6 170.4(3) . .
O35 W13 O6 84.8(3) . .
O12 W13 O6 74.0(3) . .
O31 W13 O6 85.5(3) . .
O20 W13 O6 74.7(3) . .
O39 W14 O30 102.2(4) . .
O39 W14 O14 99.3(4) . .
O30 W14 O14 92.4(3) . .
O39 W14 O16 100.7(4) . .
O30 W14 O16 87.2(3) . .
O14 W14 O16 159.6(3) . .
O39 W14 O15 97.8(4) . .
O30 W14 O15 159.7(3) . .
O14 W14 O15 87.9(3) . .
O16 W14 O15 85.6(3) . .
O39 W14 O5 170.3(3) . .
O30 W14 O5 86.2(3) . .
O14 W14 O5 75.2(3) . .
O16 W14 O5 84.4(3) . .
O15 W14 O5 74.2(3) . .
O54 W15 O17 101.2(4) . 2_776
O54 W15 O2 101.1(4) . .
O17 W15 O2 88.5(3) 2_776 .
O54 W15 O34 96.6(4) . .
O17 W15 O34 162.0(3) 2_776 .
O2 W15 O34 90.4(3) . .
O54 W15 O37 96.8(4) . .
O17 W15 O37 88.3(3) 2_776 .
O2 W15 O37 162.1(3) . .
O34 W15 O37 87.2(3) . .
O54 W15 O28 168.5(4) . .
O17 W15 O28 86.2(3) 2_776 .
O2 W15 O28 87.7(3) . .
O34 W15 O28 75.8(3) . .
O37 W15 O28 74.4(3) . .
O57 W16 O16 101.3(4) . 2_665
O57 W16 O31 102.9(4) . 2_665
O16 W16 O31 89.2(3) 2_665 2_665
O57 W16 O50 97.0(4) . .
O16 W16 O50 88.5(3) 2_665 .
O31 W16 O50 160.1(3) 2_665 .
O57 W16 O48 99.0(4) . .
O16 W16 O48 159.4(3) 2_665 .
O31 W16 O48 89.9(3) 2_665 .
O50 W16 O48 85.3(4) . .
O57 W16 O10 168.7(3) . .
O16 W16 O10 86.1(3) 2_665 .
O31 W16 O10 85.7(3) 2_665 .
O50 W16 O10 74.4(3) . .
O48 W16 O10 73.3(3) . .
O52 W17 O41 101.3(4) . 2_776
O52 W17 O25 101.4(4) . .
O41 W17 O25 87.9(3) 2_776 .
O52 W17 O27 98.2(4) . 2_776
O41 W17 O27 91.6(3) 2_776 2_776
O25 W17 O27 160.1(3) . 2_776
O52 W17 O7 98.4(4) . 2_776
O41 W17 O7 160.2(3) 2_776 2_776
O25 W17 O7 86.8(3) . 2_776
O27 W17 O7 87.0(3) 2_776 2_776
O52 W17 O36 169.8(4) . 2_776
O41 W17 O36 86.1(3) 2_776 2_776
O25 W17 O36 85.7(3) . 2_776
O27 W17 O36 74.4(3) 2_776 2_776
O7 W17 O36 74.5(3) 2_776 2_776
O49 W18 O26 101.0(4) . .
O49 W18 O47 98.7(4) . 2_776
O26 W18 O47 160.1(3) . 2_776
O49 W18 O41 101.7(4) . 2_776
O26 W18 O41 88.1(3) . 2_776
O47 W18 O41 90.4(3) 2_776 2_776
O49 W18 O37 97.4(4) . 2_776
O26 W18 O37 87.9(3) . 2_776
O47 W18 O37 87.1(3) 2_776 2_776
O41 W18 O37 160.8(3) 2_776 2_776
O49 W18 O28 169.6(3) . 2_776
O26 W18 O28 85.7(3) . 2_776
O47 W18 O28 74.4(3) 2_776 2_776
O41 W18 O28 86.3(3) 2_776 2_776
O37 W18 O28 74.7(3) 2_776 2_776
O9 Sb1 O36 89.7(3) . .
O9 Sb1 O28 89.2(3) . .
O36 Sb1 O28 86.9(3) . .
O9 Sb1 Sb1 127.7(3) . 2_776
O36 Sb1 Sb1 126.3(2) . 2_776
O28 Sb1 Sb1 124.7(2) . 2_776
O5 Sb2 O6 89.7(3) . 2_665
O5 Sb2 O10 90.0(3) . .
O6 Sb2 O10 89.0(3) 2_665 .
O5 Sb2 Sb2 124.1(2) . 2_665
O6 Sb2 Sb2 126.6(2) 2_665 2_665
O10 Sb2 Sb2 126.0(2) . 2_665
W8 O1 W11 151.8(4) . .
W15 O2 W5 155.6(4) . .
W8 O3 W1 117.7(3) . .
W1 O4 W12 156.2(4) . .
Sb2 O5 W1 114.8(3) . .
Sb2 O5 W14 115.5(3) . .
W1 O5 W14 95.0(3) . .
Sb2 O5 W8 137.3(4) . .
W1 O5 W8 92.9(2) . .
W14 O5 W8 92.0(2) . .
Sb2 O6 W13 114.6(3) 2_665 .
Sb2 O6 W6 114.6(4) 2_665 .
W13 O6 W6 93.4(2) . .
Sb2 O6 W7 138.4(3) 2_665 .
W13 O6 W7 93.2(3) . .
W6 O6 W7 92.6(2) . .
W10 O7 W17 117.0(3) . 2_776
W12 O8 W6 144.8(4) . .
Sb1 O9 W5 115.2(3) . .
Sb1 O9 W4 113.5(3) . .
W5 O9 W4 93.1(3) . .
Sb1 O9 W2 139.4(4) . .
W5 O9 W2 92.9(2) . .
W4 O9 W2 92.2(2) . .
Sb2 O10 W16 114.2(3) . .
Sb2 O10 W12 114.0(4) . .
W16 O10 W12 94.0(3) . .
Sb2 O10 W11 137.7(4) . .
W16 O10 W11 93.5(3) . .
W12 O10 W11 93.9(2) . .
W7 O11 W8 150.9(5) 2_665 .
W7 O12 W13 119.8(4) . .
W2 O13 W4 121.0(4) . .
W14 O14 W8 119.3(4) . .
W14 O15 W1 116.4(4) . .
W16 O16 W14 145.1(4) 2_665 .
W15 O17 W10 143.3(4) 2_776 .
W12 O18 W11 118.5(4) . .
W2 O19 W5 119.2(3) . .
W13 O20 W6 118.0(3) . .
W9 O21 W2 151.1(4) . .
W5 O22 W4 118.2(4) . .
W3 O23 W10 119.0(4) . .
W4 O24 W10 156.8(4) . .
W5 O25 W17 145.8(4) . .
W18 O26 W4 145.1(4) . .
W17 O27 W3 118.7(4) 2_776 .
Sb1 O28 W15 112.3(4) . .
Sb1 O28 W18 116.0(3) . 2_776
W15 O28 W18 95.1(3) . 2_776
Sb1 O28 W9 137.5(3) . .
W15 O28 W9 93.8(2) . .
W18 O28 W9 93.2(3) 2_776 .
W14 O30 W6 159.0(4) . 2_665
W16 O31 W13 155.6(5) 2_665 .
W3 O32 W9 150.8(5) . .
W2 O33 W3 151.7(4) . .
W15 O34 W9 116.9(3) . .
W13 O35 W1 144.3(4) . .
Sb1 O36 W17 115.8(3) . 2_776
Sb1 O36 W10 112.4(4) . .
W17 O36 W10 94.0(2) 2_776 .
Sb1 O36 W3 138.7(3) . .
W17 O36 W3 93.4(3) 2_776 .
W10 O36 W3 92.7(3) . .
W18 O37 W15 115.6(3) 2_776 .
W7 O38 W11 151.6(5) . 2_665
W7 O40 W6 120.2(4) . .
W17 O41 W18 154.7(5) 2_776 2_776
W9 O47 W18 119.1(4) . 2_776
W11 O48 W16 120.1(4) . .
W12 O50 W16 117.0(4) . .
C2 N1 C1 111.7(10) . .
C3 N2 C11 113.6(10) . .
C3 N2 C7 102.0(9) . .
C11 N2 C7 110.7(10) . .
C3 N2 C15 112.4(10) . .
C11 N2 C15 105.8(9) . .
C7 N2 C15 112.5(10) . .
C20 N3 C25 103.8(11) . .
C20 N3 C21 109.9(11) . .
C25 N3 C21 114.1(13) . .
C20 N3 C24 115.5(13) . .
C25 N3 C24 111.3(13) . .
C21 N3 C24 102.6(12) . .
C49 N4 C34 120(2) . .
C49 N4 C28 115(2) . .
C34 N4 C28 102.2(17) . .
C49 N4 C29 101.0(18) . .
C34 N4 C29 112.2(18) . .
C28 N4 C29 106.0(18) . .
C33' N6 C33 114(2) . .
N2 C3 C4 110.9(11) . .
C5 C4 C3 105.2(13) . .
C6 C5 C4 105.1(16) . .
N2 C7 C8 112.2(9) . .
C7 C8 C9 107.5(9) . .
C10 C9 C8 113.8(12) . .
C12 C11 N2 112.8(11) . .
C11 C12 C13 107.0(12) . .
C14 C13 C12 112.4(13) . .
C16 C15 N2 114.7(12) . .
C15 C16 C17 106.9(14) . .
C18 C17 C16 110.2(19) . .
C32 C19 C28 117(2) . .
N3 C20 C23 118.1(13) . .
N3 C21 C37 115.7(12) . .
C38 C23 C20 105(2) . .
C26 C24 N3 114.2(18) . .
N3 C25 C27 118.3(17) . .
C24 C26 C22 105(2) . .
C48 C27 C25 111(2) . .
C19 C28 N4 113(2) . .
C35 C29 N4 115(2) . .
C34 C31 C52 108(3) . .
C31 C34 N4 113(2) . .
C36 C35 C29 113(3) . .
C39 C36 C35 95(3) . .
C44 C37 C21 107.4(16) . .
N5 C41 C30 178(2) . .
C45 C44 C37 113(3) . .
C51 C49 N4 105(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O43 1.714(8) .
W1 O4 1.894(8) .
W1 O35 1.906(7) .
W1 O3 1.943(7) .
W1 O15 1.984(7) .
W1 O5 2.236(7) .
W2 O42 1.713(7) .
W2 O33 1.893(7) .
W2 O13 1.898(9) .
W2 O19 1.911(8) .
W2 O21 1.920(8) .
W2 O9 2.314(7) .
W3 O56 1.706(9) .
W3 O32 1.898(8) .
W3 O23 1.910(8) .
W3 O33 1.919(8) .
W3 O27 1.927(8) .
W3 O36 2.290(8) .
W4 O44 1.710(8) .
W4 O24 1.886(8) .
W4 O26 1.920(7) .
W4 O13 1.922(8) .
W4 O22 1.955(7) .
W4 O9 2.300(7) .
W5 O29 1.723(8) .
W5 O25 1.900(7) .
W5 O22 1.908(8) .
W5 O2 1.927(8) .
W5 O19 1.940(8) .
W5 O9 2.267(7) .
W6 O58 1.692(9) .
W6 O8 1.909(7) .
W6 O40 1.920(8) .
W6 O30 1.929(8) 2_665
W6 O20 1.937(8) .
W6 O6 2.292(7) .
W7 O59 1.702(8) .
W7 O11 1.887(8) 2_665
W7 O38 1.894(9) .
W7 O40 1.913(9) .
W7 O12 1.916(8) .
W7 O6 2.303(7) .
W8 O45 1.708(8) .
W8 O1 1.872(8) .
W8 O3 1.913(7) .
W8 O11 1.924(8) .
W8 O14 1.934(8) .
W8 O5 2.314(7) .
W9 O55 1.715(8) .
W9 O32 1.899(8) .
W9 O47 1.900(8) .
W9 O21 1.900(8) .
W9 O34 1.969(8) .
W9 O28 2.300(8) .
W10 O46 1.711(8) .
W10 O17 1.910(7) .
W10 O23 1.923(8) .
W10 O7 1.930(8) .
W10 O24 1.932(8) .
W10 O36 2.275(7) .
W11 O60 1.710(9) .
W11 O48 1.890(9) .
W11 O38 1.901(8) 2_665
W11 O1 1.939(8) .
W11 O18 1.945(8) .
W11 O10 2.303(8) .
W12 O51 1.720(8) .
W12 O8 1.897(7) .
W12 O50 1.935(8) .
W12 O4 1.936(8) .
W12 O18 1.937(8) .
W12 O10 2.262(7) .
W13 O53 1.687(8) .
W13 O35 1.899(7) .
W13 O12 1.917(7) .
W13 O31 1.927(8) .
W13 O20 1.930(8) .
W13 O6 2.261(7) .
W14 O39 1.698(9) .
W14 O30 1.876(8) .
W14 O14 1.893(8) .
W14 O16 1.930(7) .
W14 O15 1.933(7) .
W14 O5 2.278(7) .
W15 O54 1.704(8) .
W15 O17 1.896(7) 2_776
W15 O2 1.898(8) .
W15 O34 1.920(8) .
W15 O37 1.959(8) .
W15 O28 2.236(7) .
W16 O57 1.690(9) .
W16 O16 1.890(8) 2_665
W16 O31 1.895(8) 2_665
W16 O50 1.937(8) .
W16 O48 1.941(9) .
W16 O10 2.253(7) .
W17 O52 1.699(8) .
W17 O41 1.898(8) 2_776
W17 O25 1.905(8) .
W17 O27 1.919(8) 2_776
W17 O7 1.956(8) 2_776
W17 O36 2.258(7) 2_776
W18 O49 1.688(9) .
W18 O26 1.888(8) .
W18 O47 1.924(8) 2_776
W18 O41 1.938(8) 2_776
W18 O37 1.941(8) 2_776
W18 O28 2.238(7) 2_776
Sb1 O9 1.998(7) .
Sb1 O36 2.048(8) .
Sb1 O28 2.050(8) .
Sb1 Sb1 2.109(3) 2_776
Sb2 O5 2.007(7) .
Sb2 O6 2.017(7) 2_665
Sb2 O10 2.026(8) .
Sb2 Sb2 2.162(3) 2_665
O6 Sb2 2.017(7) 2_665
O7 W17 1.956(8) 2_776
O11 W7 1.887(8) 2_665
O16 W16 1.890(8) 2_665
O17 W15 1.896(7) 2_776
O27 W17 1.919(8) 2_776
O28 W18 2.238(7) 2_776
O30 W6 1.929(8) 2_665
O31 W16 1.895(8) 2_665
O36 W17 2.258(7) 2_776
O37 W18 1.941(8) 2_776
O38 W11 1.901(8) 2_665
O41 W17 1.898(8) 2_776
O41 W18 1.938(8) 2_776
O47 W18 1.924(8) 2_776
N1 C2 1.497(17) .
N1 C1 1.508(16) .
N2 C3 1.513(16) .
N2 C11 1.513(17) .
N2 C7 1.522(15) .
N2 C15 1.556(17) .
N3 C20 1.515(17) .
N3 C25 1.53(2) .
N3 C21 1.530(18) .
N3 C24 1.56(2) .
N4 C49 1.524(18) .
N4 C34 1.536(17) .
N4 C28 1.58(3) .
N4 C29 1.62(3) .
N5 C41 1.11(2) .
N6 C33' 1.40(3) .
N6 C33 1.56(3) .
C3 C4 1.65(2) .
C4 C5 1.547(15) .
C5 C6 1.436(16) .
C7 C8 1.559(16) .
C8 C9 1.573(17) .
C9 C10 1.56(2) .
C11 C12 1.475(19) .
C12 C13 1.61(2) .
C13 C14 1.520(15) .
C15 C16 1.54(2) .
C16 C17 1.54(2) .
C17 C18 1.512(18) .
C19 C32 1.506(18) .
C19 C28 1.58(4) .
C20 C23 1.61(3) .
C21 C37 1.54(2) .
C22 C26 1.576(19) .
C23 C38 1.547(19) .
C24 C26 1.533(18) .
C25 C27 1.553(17) .
C27 C48 1.540(19) .
C29 C35 1.56(5) .
C30 C41 1.56(3) .
C31 C34 1.506(18) .
C31 C52 1.551(19) .
C35 C36 1.47(5) .
C36 C39 1.475(19) .
C37 C44 1.533(17) .
C44 C45 1.47(2) .
C49 C51 1.509(19) .
