#------------------------------------------------------------------------------
#$Date: 2016-09-10 02:18:35 +0300 (Sat, 10 Sep 2016) $
#$Revision: 186354 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/58/7225805.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_7225805
loop_
_publ_author_name
'Chen, Yan-Mei'
'Yu, Ying-Hui'
'Zhang, Han-Zhong'
'Hou, Guang-Feng'
'Gao, Jin-Sheng'
'Yan, Peng-Fei'
_publ_section_title
;
 Ligand-induced isomerization: from 3D to 2D→ 3D POMOFs
 constructed from silicotungstate anions, Cu(i) and
 1,n-di(4H-1,2,4-triazol-4-yl)benzene (n = 3, 4) ligands
;
_journal_issue                   34
_journal_name_full               CrystEngComm
_journal_page_first              6389
_journal_paper_doi               10.1039/C6CE01174H
_journal_volume                  18
_journal_year                    2016
_chemical_formula_moiety         'C40 H32 Cu4 N24 O40 Si W12'
_chemical_formula_sum            'C40 H32 Cu4 N24 O40 Si W12'
_chemical_formula_weight         3977.27
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-06-23 deposited with the CCDC.
2016-07-04 downloaded from the CCDC.
;
_cell_angle_alpha                97.12(3)
_cell_angle_beta                 97.82(3)
_cell_angle_gamma                105.37(3)
_cell_formula_units_Z            2
_cell_length_a                   12.482(3)
_cell_length_b                   14.603(3)
_cell_length_c                   21.090(4)
_cell_measurement_reflns_used    25422
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.58
_cell_measurement_theta_min      3.04
_cell_volume                     3620.3(15)
_computing_cell_refinement       RAPID-AUTO
_computing_data_collection       'RAPID-AUTO (Rigaku Corporation, 1998)'
_computing_data_reduction
'CrystalStructure (Rigaku/MSC and Rigaku Corporation, 2002)'
_computing_molecular_graphics    'Diamond 3.0'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0968
_diffrn_reflns_av_unetI/netI     0.1320
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            27767
_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         3.047
_exptl_absorpt_coefficient_mu    20.246
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Higashi, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    3.649
_exptl_crystal_description       block
_exptl_crystal_F_000             3554
_exptl_crystal_size_max          0.135
_exptl_crystal_size_mid          0.121
_exptl_crystal_size_min          0.120
_exptl_transmission_factor_max   0.1949
_exptl_transmission_factor_min   0.1625
_refine_diff_density_max         3.199
_refine_diff_density_min         -1.798
_refine_diff_density_rms         0.394
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1090
_refine_ls_number_reflns         12511
_refine_ls_number_restraints     224
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0845
_refine_ls_R_factor_gt           0.0571
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0247P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1172
_refine_ls_wR_factor_ref         0.1290
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9000
_reflns_number_total             12511
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6ce01174h2.cif
_cod_data_source_block           1474619
_cod_depositor_comments
'Adding full bibliography for 7225804--7225805.cif.'
_cod_database_code               7225805
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_shelx_estimated_absorpt_t_min   0.171
_shelx_estimated_absorpt_t_max   0.195
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
C1 C 0.9764(15) 0.7863(12) 0.1936(9) 0.031(4) Uani 1 1 d . .
H1 H 0.9289 0.8179 0.2113 0.037 Uiso 1 1 calc R U
C2 C 1.0727(13) 0.7304(12) 0.1277(8) 0.021(4) Uani 1 1 d . .
H2 H 1.1030 0.7162 0.0910 0.026 Uiso 1 1 calc R U
C3 C 0.9511(14) 0.8221(12) 0.0776(9) 0.025(3) Uani 1 1 d . U
C4 C 0.9002(13) 0.8946(11) 0.0918(9) 0.027(3) Uani 1 1 d . U
H4 H 0.8937 0.9144 0.1343 0.032 Uiso 1 1 calc R U
C5 C 0.8598(14) 0.9365(13) 0.0428(9) 0.030(3) Uani 1 1 d . U
H5 H 0.8217 0.9824 0.0508 0.036 Uiso 1 1 calc R U
C6 C 0.8783(14) 0.9072(12) -0.0212(9) 0.027(3) Uani 1 1 d . U
C7 C 0.9272(14) 0.8374(13) -0.0329(10) 0.034(3) Uani 1 1 d . U
H7 H 0.9356 0.8175 -0.0751 0.040 Uiso 1 1 calc R U
C8 C 0.9659(15) 0.7935(13) 0.0176(10) 0.033(3) Uani 1 1 d . U
H8 H 1.0011 0.7456 0.0095 0.039 Uiso 1 1 calc R U
C9 C 0.7803(13) 1.0195(11) -0.0734(9) 0.025(4) Uani 1 1 d . .
H9 H 0.7547 1.0440 -0.0374 0.030 Uiso 1 1 calc R U
C10 C 0.8573(18) 0.9404(14) -0.1359(11) 0.045(6) Uani 1 1 d . .
H10 H 0.8979 0.8998 -0.1508 0.054 Uiso 1 1 calc R U
C11 C 0.9449(16) 0.7947(13) 0.4230(10) 0.037(5) Uani 1 1 d . .
H11 H 0.9786 0.7740 0.4584 0.044 Uiso 1 1 calc R U
C12 C 0.856(3) 0.865(2) 0.3662(18) 0.097(7) Uani 1 1 d . U
H12 H 0.8126 0.9042 0.3534 0.116 Uiso 1 1 calc R U
C13 C 0.8537(17) 0.9105(15) 0.4818(11) 0.041(4) Uani 1 1 d . U
C14 C 0.8600(18) 0.8781(16) 0.5397(11) 0.050(4) Uani 1 1 d . U
H14 H 0.8815 0.8228 0.5447 0.060 Uiso 1 1 calc R U
C15 C 0.8327(17) 0.9320(16) 0.5909(12) 0.054(4) Uani 1 1 d . U
H15 H 0.8430 0.9154 0.6320 0.065 Uiso 1 1 calc R U
C16 C 0.7920(17) 1.0069(15) 0.5831(11) 0.042(4) Uani 1 1 d . U
C17 C 0.7852(19) 1.0346(16) 0.5255(12) 0.053(4) Uani 1 1 d . U
H17 H 0.7554 1.0857 0.5199 0.064 Uiso 1 1 calc R U
C18 C 0.8214(19) 0.9895(16) 0.4717(12) 0.054(4) Uani 1 1 d . U
H18 H 0.8227 1.0128 0.4326 0.065 Uiso 1 1 calc R U
C19 C 0.7724(14) 1.0535(12) 0.6983(9) 0.027(4) Uani 1 1 d . .
H19 H 0.8138 1.0173 0.7182 0.033 Uiso 1 1 calc R U
C20 C 0.6947(16) 1.1179(14) 0.6283(11) 0.041(5) Uani 1 1 d . .
H20 H 0.6702 1.1358 0.5893 0.049 Uiso 1 1 calc R U
C21 C 1.2570(14) 0.5362(12) 0.3113(9) 0.028(4) Uani 1 1 d . .
H21 H 1.3020 0.5061 0.2898 0.034 Uiso 1 1 calc R U
C22 C 1.1777(13) 0.5836(11) 0.3856(9) 0.026(4) Uani 1 1 d . .
H22 H 1.1558 0.5952 0.4256 0.031 Uiso 1 1 calc R U
C23 C 1.2981(13) 0.4787(12) 0.4164(9) 0.028(3) Uani 1 1 d . U
C24 C 1.3215(13) 0.5103(13) 0.4831(9) 0.031(3) Uani 1 1 d . U
H24 H 1.3074 0.5671 0.4999 0.037 Uiso 1 1 calc R U
C25 C 1.3638(14) 0.4600(13) 0.5230(10) 0.032(3) Uani 1 1 d . U
H25 H 1.3784 0.4806 0.5676 0.038 Uiso 1 1 calc R U
C26 C 1.3863(14) 0.3744(13) 0.4964(9) 0.029(3) Uani 1 1 d . U
C27 C 1.3658(14) 0.3430(14) 0.4318(10) 0.039(4) Uani 1 1 d . U
H27 H 1.3784 0.2853 0.4155 0.047 Uiso 1 1 calc R U
C28 C 1.3250(14) 0.3987(13) 0.3891(10) 0.034(3) Uani 1 1 d . U
H28 H 1.3167 0.3820 0.3443 0.041 Uiso 1 1 calc R U
C29 C 1.4683(18) 0.2442(16) 0.5199(13) 0.059(6) Uani 1 1 d . U
H29 H 1.4667 0.2212 0.4765 0.070 Uiso 1 1 calc R U
C30 C 1.4576(16) 0.3300(14) 0.6028(11) 0.039(5) Uani 1 1 d . U
H30 H 1.4435 0.3790 0.6300 0.047 Uiso 1 1 calc R U
C31 C 1.2628(16) 0.4951(14) 0.0977(10) 0.036(5) Uani 1 1 d . .
H31 H 1.3158 0.4804 0.1271 0.044 Uiso 1 1 calc R U
C32 C 1.1653(17) 0.5094(14) 0.0106(11) 0.042(5) Uani 1 1 d . .
H32 H 1.1380 0.5065 -0.0331 0.050 Uiso 1 1 calc R U
C33 C 1.3172(14) 0.4323(12) -0.0036(10) 0.033(3) Uani 1 1 d . U
C34 C 1.3349(14) 0.3425(12) 0.0082(10) 0.031(3) Uani 1 1 d . U
H34 H 1.3064 0.3130 0.0415 0.037 Uiso 1 1 calc R U
C35 C 1.3948(14) 0.3010(12) -0.0307(10) 0.034(3) Uani 1 1 d . U
H35 H 1.4033 0.2407 -0.0261 0.041 Uiso 1 1 calc R U
C36 C 1.4405(14) 0.3480(12) -0.0749(10) 0.030(3) Uani 1 1 d . U
C37 C 1.4287(14) 0.4383(12) -0.0875(9) 0.027(3) Uani 1 1 d . U
H37 H 1.4621 0.4699 -0.1186 0.032 Uiso 1 1 calc R U
C38 C 1.3620(13) 0.4759(12) -0.0487(9) 0.028(3) Uani 1 1 d . U
H38 H 1.3490 0.5341 -0.0553 0.034 Uiso 1 1 calc R U
C39 C 1.5677(12) 0.2441(11) -0.1048(9) 0.021(4) Uani 1 1 d . .
H39 H 1.5842 0.2264 -0.0646 0.026 Uiso 1 1 calc R U
C40 C 1.4988(16) 0.3068(14) -0.1821(10) 0.039(5) Uani 1 1 d . .
H40 H 1.4575 0.3407 -0.2047 0.047 Uiso 1 1 calc R U
Cu1 Cu 1.03816(18) 0.69267(16) 0.31663(12) 0.0331(6) Uani 1 1 d . .
Cu2 Cu 1.17225(19) 0.60106(17) 0.19669(12) 0.0346(6) Uani 1 1 d . .
Cu3 Cu 0.69141(18) 1.12613(16) -0.17385(12) 0.0315(5) Uani 1 1 d . .
Cu4 Cu 0.4344(2) -0.22934(17) 0.29798(12) 0.0361(6) Uani 1 1 d . .
N1 N 1.0358(11) 0.7388(10) 0.2256(8) 0.027(3) Uani 1 1 d . .
N2 N 1.0978(11) 0.7042(10) 0.1827(8) 0.029(4) Uani 1 1 d . .
N3 N 0.9943(10) 0.7826(9) 0.1304(7) 0.020(3) Uani 1 1 d . .
N4 N 0.7640(11) 1.0433(11) -0.1307(8) 0.030(4) Uani 1 1 d . .
N5 N 0.8127(13) 0.9883(12) -0.1715(8) 0.038(4) Uani 1 1 d . .
N6 N 0.8401(10) 0.9538(10) -0.0733(8) 0.026(4) Uani 1 1 d . .
N7 N 0.9536(13) 0.7680(11) 0.3637(8) 0.032(4) Uani 1 1 d . .
N8 N 0.896(2) 0.8131(19) 0.3234(14) 0.098(7) Uani 1 1 d . U
N9 N 0.8812(12) 0.8561(11) 0.4277(9) 0.037(4) Uani 1 1 d . U
N10 N 0.7210(11) 1.1090(9) 0.7298(7) 0.025(3) Uani 1 1 d . .
N11 N 0.6720(12) 1.1508(11) 0.6847(8) 0.033(4) Uani 1 1 d . .
N12 N 0.7570(12) 1.0560(12) 0.6332(8) 0.035(4) Uani 1 1 d . .
N13 N 1.1901(14) 0.5390(11) 0.1129(8) 0.036(4) Uani 1 1 d . .
N14 N 1.1263(14) 0.5490(14) 0.0592(10) 0.053(5) Uani 1 1 d . .
N15 N 1.2497(11) 0.4741(10) 0.0330(7) 0.026(3) Uani 1 1 d . .
N16 N 1.6048(11) 0.2147(10) -0.1591(7) 0.026(3) Uani 1 1 d . .
N17 N 1.5584(13) 0.2583(11) -0.2079(8) 0.036(4) Uani 1 1 d . .
N18 N 1.5034(12) 0.3029(10) -0.1179(7) 0.026(3) Uani 1 1 d . .
N19 N 1.1431(11) 0.6169(10) 0.3322(7) 0.027(3) Uani 1 1 d . .
N20 N 1.1997(12) 0.5848(11) 0.2833(8) 0.032(4) Uani 1 1 d . .
N21 N 1.2487(10) 0.5310(9) 0.3729(7) 0.022(3) Uani 1 1 d . .
N22 N 1.5034(13) 0.2681(10) 0.6235(8) 0.035(4) Uani 1 1 d . .
N23 N 1.5082(17) 0.2042(15) 0.5683(10) 0.062(6) Uani 1 1 d . .
N24 N 1.4320(12) 0.3170(10) 0.5375(8) 0.030(4) Uani 1 1 d . .
O1 O 0.6171(10) -0.0818(8) 0.0902(7) 0.040(3) Uani 1 1 d . U
O2 O 0.5094(8) 0.0634(8) 0.1033(6) 0.028(3) Uani 1 1 d . .
O3 O 0.7152(9) 0.1014(7) 0.0680(5) 0.023(3) Uani 1 1 d . .
O4 O 0.7972(9) 0.0549(8) 0.1776(6) 0.030(3) Uani 1 1 d . .
O5 O 0.6006(9) 0.0120(7) 0.2114(6) 0.026(3) Uani 1 1 d . .
O6 O 0.4567(8) 0.1584(7) 0.2046(6) 0.024(3) Uani 1 1 d . .
O7 O 0.5322(9) 0.3205(7) 0.1659(6) 0.025(3) Uani 1 1 d . .
O8 O 0.5931(9) 0.2289(8) 0.0614(6) 0.027(3) Uani 1 1 d . .
O9 O 0.3699(9) 0.1785(8) 0.0779(6) 0.032(3) Uani 1 1 d . .
O10 O 0.7682(9) 0.3673(7) 0.1210(6) 0.024(3) Uani 1 1 d . .
O11 O 0.8962(8) 0.2556(8) 0.1280(6) 0.025(3) Uani 1 1 d . .
O12 O 0.7860(9) 0.2568(8) 0.0052(6) 0.033(3) Uani 1 1 d . .
O13 O 0.6785(8) 0.1975(8) 0.1704(6) 0.025(3) Uani 1 1 d . .
O14 O 0.8843(10) 0.5623(8) 0.1518(7) 0.041(3) Uani 1 1 d . .
O15 O 0.9531(9) 0.4163(7) 0.2078(6) 0.025(3) Uani 1 1 d . .
O16 O 1.1291(9) 0.3439(8) 0.1715(6) 0.033(3) Uani 1 1 d . .
O17 O 1.0091(9) 0.1753(8) 0.2102(6) 0.030(3) Uani 1 1 d . .
O18 O 0.8641(8) 0.2393(7) 0.2612(6) 0.021(3) Uani 1 1 d . .
O19 O 0.9658(10) -0.0010(9) 0.2511(7) 0.041(4) Uani 1 1 d . .
O20 O 0.7867(9) 0.0536(8) 0.2987(6) 0.028(3) Uani 1 1 d . .
O21 O 0.6630(8) 0.1971(7) 0.2957(6) 0.020(3) Uani 1 1 d . .
O22 O 0.5969(9) -0.0844(7) 0.3212(6) 0.032(3) Uani 1 1 d . .
O23 O 0.4873(9) 0.0593(7) 0.3030(6) 0.026(3) Uani 1 1 d . .
O24 O 0.3360(9) 0.1665(8) 0.3060(7) 0.038(3) Uani 1 1 d . .
O25 O 0.5133(9) 0.3188(8) 0.2871(6) 0.029(3) Uani 1 1 d . .
O26 O 0.4777(10) 0.4790(8) 0.2350(7) 0.035(3) Uani 1 1 d . .
O27 O 0.6849(8) 0.4911(8) 0.1949(6) 0.024(3) Uani 1 1 d . .
O28 O 0.7396(8) 0.3625(7) 0.2545(6) 0.020(2) Uani 1 1 d . U
O29 O 0.8753(9) 0.5362(8) 0.2830(6) 0.031(3) Uani 1 1 d . .
O30 O 0.6734(9) 0.4919(7) 0.3214(6) 0.027(3) Uani 1 1 d . .
O31 O 0.9350(8) 0.4116(7) 0.3560(5) 0.022(2) Uani 1 1 d . U
O32 O 1.0750(9) 0.3416(8) 0.2958(6) 0.031(3) Uani 1 1 d . .
O33 O 0.9948(9) 0.1717(8) 0.3352(6) 0.028(3) Uani 1 1 d . .
O34 O 0.8582(8) 0.2482(8) 0.3977(6) 0.027(3) Uani 1 1 d . .
O35 O 0.6719(8) 0.1035(7) 0.3916(6) 0.022(3) Uani 1 1 d . .
O36 O 0.5446(8) 0.2244(7) 0.3836(6) 0.021(3) Uani 1 1 d . .
O37 O 0.7184(10) 0.2597(8) 0.4918(6) 0.036(3) Uani 1 1 d . U
O38 O 0.7379(9) 0.3721(8) 0.3927(6) 0.030(3) Uani 1 1 d . .
O39 O 0.8677(10) 0.5653(9) 0.4144(7) 0.039(3) Uani 1 1 d . .
O40 O 1.0871(10) 0.3339(9) 0.4292(7) 0.043(4) Uani 1 1 d . .
Si1 Si 0.7367(4) 0.2491(3) 0.2461(2) 0.0212(10) Uani 1 1 d . .
W1 W 0.64477(6) 0.03205(5) 0.13185(4) 0.02538(18) Uani 1 1 d . .
W2 W 0.49803(5) 0.19279(5) 0.12268(4) 0.02418(18) Uani 1 1 d . .
W3 W 0.75342(5) 0.23948(5) 0.07908(4) 0.02291(17) Uani 1 1 d . .
W4 W 0.82913(6) 0.47107(5) 0.19222(4) 0.02397(18) Uani 1 1 d . .
W5 W 1.01049(5) 0.30832(5) 0.20585(4) 0.02558(18) Uani 1 1 d . .
W6 W 0.90919(6) 0.09399(5) 0.25285(4) 0.02654(18) Uani 1 1 d . .
W7 W 0.63142(6) 0.03295(5) 0.30585(4) 0.02444(18) Uani 1 1 d . .
W8 W 0.46975(6) 0.18245(5) 0.29424(4) 0.02464(18) Uani 1 1 d . .
W9 W 0.57832(6) 0.41790(5) 0.24293(4) 0.02556(18) Uani 1 1 d . .
W10 W 0.82015(6) 0.47309(5) 0.35070(4) 0.02566(18) Uani 1 1 d . .
W11 W 0.98555(6) 0.29778(5) 0.36150(4) 0.02696(18) Uani 1 1 d . .
W12 W 0.70413(6) 0.24303(5) 0.40867(4) 0.02548(18) 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'
Cu Cu 0.3201 1.2651 '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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 '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
N1 C1 N3 110.7(15) . .
N1 C1 H1 124.7 . .
N3 C1 H1 124.7 . .
N2 C2 N3 111.2(14) . .
N2 C2 H2 124.4 . .
N3 C2 H2 124.4 . .
C8 C3 C4 122.3(16) . .
C8 C3 N3 120.0(16) . .
C4 C3 N3 117.6(16) . .
C5 C4 C3 119.8(17) . .
C5 C4 H4 120.1 . .
C3 C4 H4 120.1 . .
C4 C5 C6 117.6(15) . .
C4 C5 H5 121.2 . .
C6 C5 H5 121.2 . .
C7 C6 C5 120.9(16) . .
C7 C6 N6 120.8(16) . .
C5 C6 N6 118.3(15) . .
C6 C7 C8 120.8(18) . .
C6 C7 H7 119.6 . .
C8 C7 H7 119.6 . .
C3 C8 C7 118.5(16) . .
C3 C8 H8 120.7 . .
C7 C8 H8 120.7 . .
N4 C9 N6 110.7(15) . .
N4 C9 H9 124.6 . .
N6 C9 H9 124.6 . .
N5 C10 N6 113.5(15) . .
N5 C10 H10 123.3 . .
N6 C10 H10 123.3 . .
N7 C11 N9 112.3(18) . .
N7 C11 H11 123.8 . .
N9 C11 H11 123.8 . .
N9 C12 N8 116(3) . .
N9 C12 H12 121.8 . .
N8 C12 H12 121.8 . .
C18 C13 C14 124(2) . .
C18 C13 N9 117.9(19) . .
C14 C13 N9 118.0(17) . .
C13 C14 C15 117(2) . .
C13 C14 H14 121.7 . .
C15 C14 H14 121.7 . .
C16 C15 C14 122(2) . .
C16 C15 H15 118.8 . .
C14 C15 H15 118.8 . .
C17 C16 C15 119(2) . .
C17 C16 N12 119.2(18) . .
C15 C16 N12 122(2) . .
C16 C17 C18 123(2) . .
C16 C17 H17 118.5 . .
C18 C17 H17 118.5 . .
C13 C18 C17 115(2) . .
C13 C18 H18 122.6 . .
C17 C18 H18 122.6 . .
N10 C19 N12 111.9(16) . .
N10 C19 H19 124.1 . .
N12 C19 H19 124.1 . .
N11 C20 N12 112.9(18) . .
N11 C20 H20 123.5 . .
N12 C20 H20 123.5 . .
N20 C21 N21 116.2(15) . .
N20 C21 H21 121.9 . .
N21 C21 H21 121.9 . .
N19 C22 N21 110.2(15) . .
N19 C22 H22 124.9 . .
N21 C22 H22 124.9 . .
C28 C23 C24 121.7(17) . .
C28 C23 N21 117.4(17) . .
C24 C23 N21 120.9(15) . .
C25 C24 C23 120.4(17) . .
C25 C24 H24 119.8 . .
C23 C24 H24 119.8 . .
C24 C25 C26 119.0(19) . .
C24 C25 H25 120.5 . .
C26 C25 H25 120.5 . .
C27 C26 C25 121.7(17) . .
C27 C26 N24 117.0(16) . .
C25 C26 N24 121.3(17) . .
C26 C27 C28 119.3(18) . .
C26 C27 H27 120.3 . .
C28 C27 H27 120.3 . .
C23 C28 C27 117.5(19) . .
C23 C28 H28 121.2 . .
C27 C28 H28 121.2 . .
N24 C29 N23 116(2) . .
N24 C29 H29 122.2 . .
N23 C29 H29 122.2 . .
N22 C30 N24 113.1(19) . .
N22 C30 H30 123.4 . .
N24 C30 H30 123.4 . .
N13 C31 N15 109.4(16) . .
N13 C31 H31 125.3 . .
N15 C31 H31 125.3 . .
N14 C32 N15 110.9(19) . .
N14 C32 H32 124.5 . .
N15 C32 H32 124.5 . .
C38 C33 N15 119.7(14) . .
C38 C33 C34 120.5(16) . .
N15 C33 C34 119.8(15) . .
C35 C34 C33 118.4(16) . .
C35 C34 H34 120.8 . .
C33 C34 H34 120.8 . .
C36 C35 C34 119.2(16) . .
C36 C35 H35 120.4 . .
C34 C35 H35 120.4 . .
C35 C36 C37 124.8(16) . .
C35 C36 N18 119.5(15) . .
C37 C36 N18 115.6(14) . .
C38 C37 C36 114.0(15) . .
C38 C37 H37 123.0 . .
C36 C37 H37 123.0 . .
C33 C38 C37 122.9(15) . .
C33 C38 H38 118.5 . .
C37 C38 H38 118.5 . .
N18 C39 N16 109.9(15) . .
N18 C39 H39 125.1 . .
N16 C39 H39 125.1 . .
N17 C40 N18 111.9(17) . .
N17 C40 H40 124.1 . .
N18 C40 H40 124.1 . .
N19 Cu1 N7 141.0(6) . .
N19 Cu1 N1 113.0(5) . .
N7 Cu1 N1 104.2(6) . .
N19 Cu1 O29 89.5(5) . .
N7 Cu1 O29 96.4(5) . .
N1 Cu1 O29 98.4(5) . .
N19 Cu1 Cu2 55.7(4) . .
N7 Cu1 Cu2 162.5(5) . .
N1 Cu1 Cu2 58.3(4) . .
O29 Cu1 Cu2 87.7(3) . .
N20 Cu2 N13 136.8(6) . .
N20 Cu2 N2 113.9(6) . .
N13 Cu2 N2 109.2(6) . .
N20 Cu2 Cu1 57.2(4) . .
N13 Cu2 Cu1 159.0(5) . .
N2 Cu2 Cu1 58.9(4) . .
N16 Cu3 N4 142.0(6) 1_465 .
N16 Cu3 N10 112.2(6) 1_465 1_554
N4 Cu3 N10 105.7(6) . 1_554
N17 Cu4 N22 134.4(6) 2_755 2_756
N17 Cu4 N11 113.5(6) 2_755 2_666
N22 Cu4 N11 111.9(6) 2_756 2_666
N17 Cu4 O22 95.2(6) 2_755 .
N22 Cu4 O22 88.3(5) 2_756 .
N11 Cu4 O22 91.6(5) 2_666 .
C1 N1 N2 107.1(15) . .
C1 N1 Cu1 134.4(11) . .
N2 N1 Cu1 118.0(10) . .
C2 N2 N1 107.6(13) . .
C2 N2 Cu2 125.5(12) . .
N1 N2 Cu2 124.4(11) . .
C1 N3 C2 103.4(13) . .
C1 N3 C3 132.2(14) . .
C2 N3 C3 124.4(13) . .
C9 N4 N5 106.8(14) . .
C9 N4 Cu3 138.9(13) . .
N5 N4 Cu3 114.2(11) . .
C10 N5 N4 106.0(16) . .
C9 N6 C10 102.9(14) . .
C9 N6 C6 130.4(15) . .
C10 N6 C6 126.6(14) . .
C11 N7 N8 109.2(17) . .
C11 N7 Cu1 137.9(14) . .
N8 N7 Cu1 112.5(15) . .
C12 N8 N7 101(3) . .
C12 N9 C11 101(2) . .
C12 N9 C13 125(2) . .
C11 N9 C13 133.5(18) . .
C19 N10 N11 106.4(15) . .
C19 N10 Cu3 132.5(12) . 1_556
N11 N10 Cu3 120.7(10) . 1_556
C20 N11 N10 106.7(15) . .
C20 N11 Cu4 128.5(14) . 2_666
N10 N11 Cu4 124.1(11) . 2_666
C20 N12 C19 102.1(15) . .
C20 N12 C16 127.2(18) . .
C19 N12 C16 130.7(16) . .
C31 N13 N14 110.3(16) . .
C31 N13 Cu2 131.1(14) . .
N14 N13 Cu2 118.3(11) . .
C32 N14 N13 104.7(16) . .
C31 N15 C32 104.8(14) . .
C31 N15 C33 127.4(15) . .
C32 N15 C33 127.6(16) . .
C39 N16 N17 105.3(13) . .
C39 N16 Cu3 130.3(11) . 1_645
N17 N16 Cu3 124.3(11) . 1_645
C40 N17 N16 107.4(16) . .
C40 N17 Cu4 127.8(14) . 2_755
N16 N17 Cu4 124.0(11) . 2_755
C39 N18 C40 105.5(14) . .
C39 N18 C36 129.1(14) . .
C40 N18 C36 125.1(15) . .
C22 N19 N20 106.0(13) . .
C22 N19 Cu1 131.2(12) . .
N20 N19 Cu1 122.8(11) . .
C21 N20 N19 103.9(14) . .
C21 N20 Cu2 131.4(12) . .
N19 N20 Cu2 124.2(10) . .
C21 N21 C22 103.6(14) . .
C21 N21 C23 129.5(13) . .
C22 N21 C23 126.8(15) . .
C30 N22 N23 107.0(17) . .
C30 N22 Cu4 143.1(15) . 2_756
N23 N22 Cu4 109.8(11) . 2_756
C29 N23 N22 101.5(17) . .
C29 N24 C30 102.6(17) . .
C29 N24 C26 127.7(19) . .
C30 N24 C26 129.5(16) . .
W1 O2 W2 121.6(6) . .
W3 O3 W1 120.8(5) . .
W6 O4 W1 152.8(7) . .
W1 O5 W7 151.1(6) . .
W8 O6 W2 152.3(6) . .
W2 O7 W9 152.8(6) . .
W2 O8 W3 121.6(6) . .
W4 O10 W3 151.2(6) . .
W3 O11 W5 152.0(6) . .
Si1 O13 W2 123.8(6) . .
Si1 O13 W3 124.6(5) . .
W2 O13 W3 92.4(4) . .
Si1 O13 W1 123.4(6) . .
W2 O13 W1 91.4(4) . .
W3 O13 W1 91.7(4) . .
W5 O15 W4 150.8(6) . .
W6 O17 W5 123.1(5) . .
Si1 O18 W6 124.7(6) . .
Si1 O18 W11 124.2(6) . .
W6 O18 W11 91.6(4) . .
Si1 O18 W5 123.9(6) . .
W6 O18 W5 91.9(3) . .
W11 O18 W5 90.8(3) . .
W7 O20 W6 150.6(7) . .
Si1 O21 W12 124.5(6) . .
Si1 O21 W8 124.8(6) . .
W12 O21 W8 91.5(3) . .
Si1 O21 W7 124.4(5) . .
W12 O21 W7 91.0(4) . .
W8 O21 W7 90.3(3) . .
W7 O22 Cu4 139.1(7) . .
W8 O23 W7 122.2(5) . .
W9 O25 W8 149.7(7) . .
W4 O27 W9 121.8(5) . .
Si1 O28 W4 124.1(5) . .
Si1 O28 W10 123.8(6) . .
W4 O28 W10 91.5(4) . .
Si1 O28 W9 124.6(6) . .
W4 O28 W9 91.9(4) . .
W10 O28 W9 91.4(3) . .
W10 O29 W4 120.4(6) . .
W10 O29 Cu1 117.1(6) . .
W4 O29 Cu1 121.5(5) . .
W9 O30 W10 120.9(5) . .
W10 O31 W11 151.2(6) . .
W5 O32 W11 120.6(6) . .
W11 O33 W6 121.2(6) . .
W11 O34 W12 150.3(6) . .
W7 O35 W12 121.8(5) . .
W12 O36 W8 121.7(5) . .
W12 O38 W10 149.9(6) . .
O21 Si1 O18 109.4(6) . .
O21 Si1 O28 109.3(6) . .
O18 Si1 O28 110.3(6) . .
O21 Si1 O13 109.9(6) . .
O18 Si1 O13 109.3(6) . .
O28 Si1 O13 108.6(6) . .
O1 W1 O5 103.4(5) . .
O1 W1 O2 101.7(6) . .
O5 W1 O2 90.9(5) . .
O1 W1 O4 101.9(5) . .
O5 W1 O4 85.7(5) . .
O2 W1 O4 156.3(5) . .
O1 W1 O3 97.8(5) . .
O5 W1 O3 158.3(5) . .
O2 W1 O3 89.2(5) . .
O4 W1 O3 85.6(5) . .
O1 W1 O13 169.5(6) . .
O5 W1 O13 86.1(4) . .
O2 W1 O13 73.3(4) . .
O4 W1 O13 83.1(4) . .
O3 W1 O13 73.2(4) . .
O9 W2 O7 101.3(5) . .
O9 W2 O8 100.7(5) . .
O7 W2 O8 92.7(5) . .
O9 W2 O2 99.6(5) . .
O7 W2 O2 158.5(5) . .
O8 W2 O2 88.6(5) . .
O9 W2 O6 101.3(5) . .
O7 W2 O6 84.5(5) . .
O8 W2 O6 157.9(5) . .
O2 W2 O6 86.3(5) . .
O9 W2 O13 171.1(5) . .
O7 W2 O13 86.0(4) . .
O8 W2 O13 73.5(4) . .
O2 W2 O13 73.8(4) . .
O6 W2 O13 84.4(4) . .
O12 W3 O11 101.5(5) . .
O12 W3 O10 102.8(5) . .
O11 W3 O10 85.5(5) . .
O12 W3 O3 99.9(5) . .
O11 W3 O3 93.1(5) . .
O10 W3 O3 157.0(4) . .
O12 W3 O8 99.5(5) . .
O11 W3 O8 158.3(5) . .
O10 W3 O8 84.4(5) . .
O3 W3 O8 88.8(4) . .
O12 W3 O13 169.9(5) . .
O11 W3 O13 87.2(4) . .
O10 W3 O13 82.7(4) . .
O3 W3 O13 74.3(4) . .
O8 W3 O13 72.4(4) . .
O14 W4 O27 99.0(5) . .
O14 W4 O10 100.2(6) . .
O27 W4 O10 91.9(5) . .
O14 W4 O15 101.8(5) . .
O27 W4 O15 159.2(4) . .
O10 W4 O15 85.9(5) . .
O14 W4 O29 101.5(6) . .
O27 W4 O29 87.7(5) . .
O10 W4 O29 158.1(4) . .
O15 W4 O29 86.7(5) . .
O14 W4 O28 171.2(5) . .
O27 W4 O28 73.7(4) . .
O10 W4 O28 85.2(4) . .
O15 W4 O28 85.5(4) . .
O29 W4 O28 73.6(4) . .
O16 W5 O15 103.0(5) . .
O16 W5 O32 100.8(5) . .
O15 W5 O32 92.7(5) . .
O16 W5 O11 100.2(5) . .
O15 W5 O11 84.4(5) . .
O32 W5 O11 158.9(4) . .
O16 W5 O17 99.2(5) . .
O15 W5 O17 157.1(4) . .
O32 W5 O17 88.8(5) . .
O11 W5 O17 86.1(5) . .
O16 W5 O18 169.3(5) . .
O15 W5 O18 86.9(4) . .
O32 W5 O18 74.4(4) . .
O11 W5 O18 84.5(4) . .
O17 W5 O18 71.4(4) . .
O19 W6 O4 102.1(6) . .
O19 W6 O17 99.9(5) . .
O4 W6 O17 91.6(5) . .
O19 W6 O20 102.0(5) . .
O4 W6 O20 85.3(5) . .
O17 W6 O20 158.1(4) . .
O19 W6 O33 99.6(6) . .
O4 W6 O33 158.0(4) . .
O17 W6 O33 88.2(5) . .
O20 W6 O33 86.7(5) . .
O19 W6 O18 170.2(5) . .
O4 W6 O18 85.6(4) . .
O17 W6 O18 73.5(4) . .
O20 W6 O18 84.6(4) . .
O33 W6 O18 73.3(4) . .
O22 W7 O35 100.9(5) . .
O22 W7 O20 100.9(5) . .
O35 W7 O20 91.1(5) . .
O22 W7 O23 100.8(5) . .
O35 W7 O23 87.1(5) . .
O20 W7 O23 158.2(4) . .
O22 W7 O5 101.5(5) . .
O35 W7 O5 157.5(4) . .
O20 W7 O5 86.3(5) . .
O23 W7 O5 87.1(5) . .
O22 W7 O21 172.1(4) . .
O35 W7 O21 73.7(4) . .
O20 W7 O21 85.3(4) . .
O23 W7 O21 73.3(3) . .
O5 W7 O21 83.8(4) . .
O24 W8 O6 103.9(6) . .
O24 W8 O23 100.6(5) . .
O6 W8 O23 92.7(5) . .
O24 W8 O36 98.4(6) . .
O6 W8 O36 157.4(4) . .
O23 W8 O36 87.1(5) . .
O24 W8 O25 100.8(5) . .
O6 W8 O25 86.3(5) . .
O23 W8 O25 158.2(4) . .
O36 W8 O25 85.6(5) . .
O24 W8 O21 170.0(5) . .
O6 W8 O21 85.0(4) . .
O23 W8 O21 74.1(4) . .
O36 W8 O21 73.1(4) . .
O25 W8 O21 84.1(4) . .
O26 W9 O25 102.6(5) . .
O26 W9 O30 100.0(6) . .
O25 W9 O30 91.5(5) . .
O26 W9 O7 103.1(6) . .
O25 W9 O7 86.0(5) . .
O30 W9 O7 156.8(4) . .
O26 W9 O27 98.8(5) . .
O25 W9 O27 158.3(4) . .
O30 W9 O27 88.2(5) . .
O7 W9 O27 85.8(5) . .
O26 W9 O28 169.4(5) . .
O25 W9 O28 86.5(4) . .
O30 W9 O28 74.1(4) . .
O7 W9 O28 82.7(4) . .
O27 W9 O28 72.6(4) . .
O39 W10 O31 103.0(6) . .
O39 W10 O29 100.5(5) . .
O31 W10 O29 91.5(4) . .
O39 W10 O38 100.3(5) . .
O31 W10 O38 86.4(4) . .
O29 W10 O38 159.1(5) . .
O39 W10 O30 98.6(6) . .
O31 W10 O30 158.1(5) . .
O29 W10 O30 88.6(5) . .
O38 W10 O30 85.8(5) . .
O39 W10 O28 170.5(5) . .
O31 W10 O28 85.3(4) . .
O29 W10 O28 74.5(4) . .
O38 W10 O28 84.6(5) . .
O30 W10 O28 73.6(4) . .
O40 W11 O34 100.6(5) . .
O40 W11 O33 100.3(6) . .
O34 W11 O33 90.6(4) . .
O40 W11 O31 102.3(6) . .
O34 W11 O31 87.4(4) . .
O33 W11 O31 157.2(5) . .
O40 W11 O32 100.4(5) . .
O34 W11 O32 158.8(5) . .
O33 W11 O32 88.8(5) . .
O31 W11 O32 85.0(4) . .
O40 W11 O18 171.8(5) . .
O34 W11 O18 85.4(5) . .
O33 W11 O18 73.9(4) . .
O31 W11 O18 83.4(4) . .
O32 W11 O18 74.1(4) . .
O37 W12 O38 101.8(5) . .
O37 W12 O36 101.2(5) . .
O38 W12 O36 91.5(4) . .
O37 W12 O35 98.9(5) . .
O38 W12 O35 159.1(5) . .
O36 W12 O35 87.4(4) . .
O37 W12 O34 100.9(6) . .
O38 W12 O34 86.6(4) . .
O36 W12 O34 157.7(5) . .
O35 W12 O34 86.6(4) . .
O37 W12 O21 170.8(4) . .
O38 W12 O21 86.2(5) . .
O36 W12 O21 73.7(4) . .
O35 W12 O21 73.5(4) . .
O34 W12 O21 84.0(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.32(2) .
C1 N3 1.38(2) .
C1 H1 0.9300 .
C2 N2 1.29(2) .
C2 N3 1.395(18) .
C2 H2 0.9300 .
C3 C8 1.33(2) .
C3 C4 1.39(2) .
C3 N3 1.42(2) .
C4 C5 1.37(2) .
C4 H4 0.9300 .
C5 C6 1.43(2) .
C5 H5 0.9300 .
C6 C7 1.33(2) .
C6 N6 1.45(2) .
C7 C8 1.41(2) .
C7 H7 0.9300 .
C8 H8 0.9300 .
C9 N4 1.30(2) .
C9 N6 1.363(19) .
C9 H9 0.9300 .
C10 N5 1.26(2) .
C10 N6 1.36(2) .
C10 H10 0.9300 .
C11 N7 1.29(2) .
C11 N9 1.35(2) .
C11 H11 0.9300 .
C12 N9 1.32(4) .
C12 N8 1.33(4) .
C12 H12 0.9300 .
C13 C18 1.35(3) .
C13 C14 1.36(3) .
C13 N9 1.44(2) .
C14 C15 1.39(3) .
C14 H14 0.9300 .
C15 C16 1.34(2) .
C15 H15 0.9300 .
C16 C17 1.33(3) .
C16 N12 1.39(2) .
C17 C18 1.43(3) .
C17 H17 0.9300 .
C18 H18 0.9300 .
C19 N10 1.329(19) .
C19 N12 1.37(2) .
C19 H19 0.9300 .
C20 N11 1.32(2) .
C20 N12 1.34(2) .
C20 H20 0.9300 .
C21 N20 1.27(2) .
C21 N21 1.33(2) .
C21 H21 0.9300 .
C22 N19 1.34(2) .
C22 N21 1.352(19) .
C22 H22 0.9300 .
C23 C28 1.38(2) .
C23 C24 1.39(3) .
C23 N21 1.44(2) .
C24 C25 1.33(2) .
C24 H24 0.9300 .
C25 C26 1.42(2) .
C25 H25 0.9300 .
C26 C27 1.35(3) .
C26 N24 1.44(2) .
C27 C28 1.42(2) .
C27 H27 0.9300 .
C28 H28 0.9300 .
C29 N24 1.29(2) .
C29 N23 1.34(3) .
C29 H29 0.9300 .
C30 N22 1.28(2) .
C30 N24 1.35(3) .
C30 H30 0.9300 .
C31 N13 1.29(2) .
C31 N15 1.34(2) .
C31 H31 0.9300 .
C32 N14 1.33(2) .
C32 N15 1.35(2) .
C32 H32 0.9300 .
C33 C38 1.31(2) .
C33 N15 1.42(2) .
C33 C34 1.43(2) .
C34 C35 1.37(2) .
C34 H34 0.9300 .
C35 C36 1.33(2) .
C35 H35 0.9300 .
C36 C37 1.42(2) .
C36 N18 1.48(2) .
C37 C38 1.41(2) .
C37 H37 0.9300 .
C38 H38 0.9300 .
C39 N18 1.349(19) .
C39 N16 1.35(2) .
C39 H39 0.9300 .
C40 N17 1.28(2) .
C40 N18 1.36(2) .
C40 H40 0.9300 .
Cu1 N19 1.947(14) .
Cu1 N7 1.984(13) .
Cu1 N1 2.111(15) .
Cu1 O29 2.569(11) .
Cu1 Cu2 3.534(3) .
Cu2 N20 1.868(15) .
Cu2 N13 1.951(16) .
Cu2 N2 1.999(13) .
Cu3 N16 1.916(13) 1_465
Cu3 N4 1.934(14) .
Cu3 N10 2.112(15) 1_554
Cu4 N17 1.914(16) 2_755
Cu4 N22 1.945(15) 2_756
Cu4 N11 2.013(14) 2_666
Cu4 O22 2.455(11) .
N1 N2 1.399(18) .
N4 N5 1.41(2) .
N7 N8 1.38(3) .
N10 N11 1.354(19) .
N10 Cu3 2.112(15) 1_556
N11 Cu4 2.013(14) 2_666
N13 N14 1.34(2) .
N16 N17 1.413(19) .
N16 Cu3 1.916(13) 1_645
N17 Cu4 1.914(16) 2_755
N19 N20 1.427(18) .
N22 N23 1.42(2) .
N22 Cu4 1.945(15) 2_756
O1 W1 1.704(12) .
O2 W1 1.905(11) .
O2 W2 1.929(11) .
O3 W3 1.921(10) .
O3 W1 1.950(9) .
O4 W6 1.883(13) .
O4 W1 1.936(11) .
O5 W1 1.869(11) .
O5 W7 1.946(12) .
O6 W8 1.857(12) .
O6 W2 1.955(11) .
O7 W2 1.882(11) .
O7 W9 1.932(12) .
O8 W2 1.900(11) .
O8 W3 1.946(10) .
O9 W2 1.690(12) .
O10 W4 1.909(11) .
O10 W3 1.915(10) .
O11 W3 1.874(11) .
O11 W5 1.947(11) .
O12 W3 1.695(12) .
O13 Si1 1.655(13) .
O13 W2 2.318(11) .
O13 W3 2.333(11) .
O13 W1 2.357(11) .
O14 W4 1.711(12) .
O15 W5 1.896(10) .
O15 W4 1.930(10) .
O16 W5 1.722(9) .
O17 W6 1.886(10) .
O17 W5 1.952(11) .
O18 Si1 1.626(10) .
O18 W6 2.328(9) .
O18 W11 2.345(12) .
O18 W5 2.369(10) .
O19 W6 1.715(11) .
O20 W7 1.911(10) .
O20 W6 1.920(10) .
O21 Si1 1.615(10) .
O21 W12 2.340(12) .
O21 W8 2.360(9) .
O21 W7 2.366(9) .
O22 W7 1.736(10) .
O23 W8 1.896(10) .
O23 W7 1.932(11) .
O24 W8 1.681(11) .
O25 W9 1.881(11) .
O25 W8 1.951(10) .
O26 W9 1.725(10) .
O27 W4 1.906(10) .
O27 W9 1.953(9) .
O28 Si1 1.633(11) .
O28 W4 2.338(10) .
O28 W10 2.346(12) .
O28 W9 2.355(10) .
O29 W10 1.903(11) .
O29 W4 1.964(13) .
O30 W9 1.913(13) .
O30 W10 1.953(10) .
O31 W10 1.880(10) .
O31 W11 1.939(10) .
O32 W5 1.905(13) .
O32 W11 1.960(11) .
O33 W11 1.894(11) .
O33 W6 1.952(13) .
O34 W11 1.869(10) .
O34 W12 1.950(9) .
O35 W7 1.898(12) .
O35 W12 1.946(10) .
O36 W12 1.926(10) .
O36 W8 1.931(12) .
O37 W12 1.719(13) .
O38 W12 1.903(10) .
O38 W10 1.944(10) .
O39 W10 1.698(14) .
O40 W11 1.700(14) .
