#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:02:21 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179948 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/43/7024391.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_7024391
loop_
_publ_author_name
'Zheng, Shou-Tian'
'Yang, Guo-Yu'
_publ_section_title
;
 The first polyoxometalate-templated four-fold interpenetrated
 coordination polymer with new topology and ferroelectricity.
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              700
_journal_page_last               703
_journal_paper_doi               10.1039/b916462f
_journal_volume                  39
_journal_year                    2010
_chemical_formula_sum            'C100 H92 Cu6 N20 O44 Si W11'
_chemical_formula_weight         4709.62
_chemical_name_systematic
;
?
;
_space_group_IT_number           29
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   29.886(3)
_cell_length_b                   28.350(3)
_cell_length_c                   15.2719(18)
_cell_measurement_reflns_used    33159
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      2.0371
_cell_volume                     12939(2)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'mercury CCD'
_diffrn_measurement_method       dtprofit.ref
_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  0.0501
_diffrn_reflns_av_sigmaI/netI    0.0327
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            97727
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.08
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    10.789
_exptl_absorpt_correction_T_max  0.393
_exptl_absorpt_correction_T_min  0.106
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            Black
_exptl_crystal_density_diffrn    2.418
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             8744
_exptl_crystal_size_max          0.2600
_exptl_crystal_size_mid          0.1700
_exptl_crystal_size_min          0.0800
_refine_diff_density_max         1.608
_refine_diff_density_min         -2.217
_refine_diff_density_rms         0.163
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.001(1)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1693
_refine_ls_number_reflns         15349
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0388
_refine_ls_R_factor_gt           0.0365
_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)+(0.0450P)²+55.7650P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0905
_refine_ls_wR_factor_ref         0.0926
_reflns_number_gt                14653
_reflns_number_total             15349
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b916462f.txt
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/saulius/struct/CIF-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
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        12939(3)
_cod_original_sg_symbol_H-M      Pca2(1)
_cod_database_code               7024391
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y, z'
'-x+1/2, y, 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
Cu1 Cu 0.67043(7) 0.33158(7) -0.67950(17) 0.0694(6) Uani 1 1 d .
Cu2 Cu 0.30652(6) 0.31330(7) -0.54270(14) 0.0598(5) Uani 1 1 d .
Cu3 Cu 0.13396(6) -0.01558(6) -0.34201(13) 0.0523(4) Uani 1 1 d .
Cu4 Cu -0.18369(6) 0.19553(6) -0.05704(15) 0.0574(5) Uani 1 1 d .
Cu5 Cu 0.18427(6) 0.16410(6) -0.13843(14) 0.0554(5) Uani 1 1 d .
Cu6 Cu 0.36538(6) 0.47827(6) -0.37381(13) 0.0510(4) Uani 1 1 d .
W1 W 0.483321(18) 0.339856(18) 0.04898(4) 0.03807(12) Uani 0.92 1 d P
W2 W 0.518598(16) 0.162044(16) -0.26561(3) 0.03213(11) Uani 0.94 1 d P
W3 W 0.422317(14) 0.222749(16) -0.26631(3) 0.03116(10) Uani 0.96 1 d P
W4 W 0.443685(16) 0.146001(17) -0.10444(4) 0.03468(11) Uani 0.93 1 d P
W5 W 0.530958(19) 0.172896(19) 0.06027(4) 0.04008(12) Uani 0.94 1 d P
W6 W 0.403111(15) 0.316685(17) -0.10100(4) 0.03356(11) Uani 0.95 1 d P
W7 W 0.605771(15) 0.188431(19) -0.10046(4) 0.03820(12) Uani 0.94 1 d P
W8 W 0.424888(17) 0.239588(19) 0.05879(4) 0.03560(12) Uani 0.90 1 d P
W9 W 0.563740(18) 0.358370(19) -0.12812(4) 0.03946(13) Uani 0.90 1 d P
W10 W 0.58753(2) 0.27266(3) 0.04412(5) 0.04401(16) Uani 0.78 1 d P
W11 W 0.484959(17) 0.334604(17) -0.27896(4) 0.03402(11) Uani 0.93 1 d P
W12 W 0.581038(16) 0.274096(18) -0.27809(4) 0.03421(11) Uani 0.94 1 d P
Si1 Si 0.50386(8) 0.25199(9) -0.1088(2) 0.0235(5) Uani 1 1 d .
O1 O 0.6244(4) 0.2983(5) 0.1164(8) 0.059(3) Uani 0.85 1 d P
O2 O 0.5920(3) 0.3189(3) -0.0478(6) 0.042(2) Uani 0.95 1 d P
O3 O 0.5638(3) 0.1590(3) -0.1782(6) 0.0331(18) Uani 0.96 1 d P
O4 O 0.4648(3) 0.1832(3) -0.3234(6) 0.0392(19) Uani 1 1 d .
O5 O 0.5261(2) 0.2902(3) -0.1744(5) 0.0313(16) Uani 1 1 d .
O6 O 0.6528(3) 0.1568(4) -0.1236(7) 0.054(3) Uani 1 1 d .
O7 O 0.4850(4) 0.3857(4) 0.1242(7) 0.054(3) Uani 0.95 1 d P
O8 O 0.5686(3) 0.2191(4) 0.1132(6) 0.048(2) Uani 0.99 1 d P
O9 O 0.4153(3) 0.0954(4) -0.0776(7) 0.060(3) Uani 1 1 d .
O10 O 0.6280(3) 0.2315(3) -0.0167(6) 0.040(2) Uani 0.93 1 d P
O11 O 0.5165(3) 0.3651(3) -0.0472(6) 0.043(2) Uani 1 1 d .
O12 O 0.4045(3) 0.1696(3) -0.1965(6) 0.0362(19) Uani 0.98 1 d P
O13 O 0.4175(3) 0.1903(3) -0.0267(6) 0.0377(19) Uani 1 1 d .
O14 O 0.5364(3) 0.3101(3) -0.3379(6) 0.040(2) Uani 1 1 d .
O15 O 0.5998(3) 0.3310(3) -0.2203(7) 0.035(2) Uani 0.90 1 d P
O16 O 0.4550(3) 0.2761(3) -0.3032(5) 0.0329(17) Uani 1 1 d .
O17 O 0.4795(3) 0.2093(3) 0.0916(6) 0.0406(19) Uani 1 1 d .
O18 O 0.5816(3) 0.1505(3) -0.0069(6) 0.043(2) Uani 0.98 1 d P
O19 O 0.3980(3) 0.2633(3) -0.1782(6) 0.0321(17) Uani 0.95 1 d P
O20 O 0.6219(3) 0.2705(4) -0.3572(7) 0.046(2) Uani 0.95 1 d P
O21 O 0.6080(3) 0.2371(3) -0.1881(6) 0.0358(19) Uani 0.94 1 d P
O22 O 0.5335(3) 0.3048(3) 0.0791(6) 0.044(2) Uani 1 1 d .
O23 O 0.5922(3) 0.4104(3) -0.1157(8) 0.047(3) Uani 0.87 1 d P
O24 O 0.5424(3) 0.2284(3) -0.0482(5) 0.0308(16) Uani 1 1 d .
O25 O 0.4460(3) 0.2976(3) 0.1125(6) 0.042(2) Uani 1 1 d .
O26 O 0.5467(3) 0.2195(3) -0.3044(6) 0.0357(18) Uani 1 1 d .
O27 O 0.4642(3) 0.3701(3) -0.3582(7) 0.047(2) Uani 1 1 d .
O28 O 0.3550(3) 0.3468(3) -0.1222(7) 0.045(2) Uani 1 1 d .
O29 O 0.5230(3) 0.3776(3) -0.2193(7) 0.043(2) Uani 1 1 d .
O30 O 0.4933(3) 0.1431(3) -0.0260(6) 0.0373(18) Uani 1 1 d .
O31 O 0.4422(3) 0.3416(3) -0.1877(6) 0.0351(18) Uani 1 1 d .
O32 O 0.5375(3) 0.1225(3) -0.3412(7) 0.040(2) Uani 0.93 1 d P
O33 O 0.3827(3) 0.2776(3) -0.0072(6) 0.041(2) Uani 1 1 d .
O34 O 0.4674(2) 0.2779(3) -0.0469(5) 0.0304(16) Uani 1 1 d .
O35 O 0.4294(3) 0.3578(3) -0.0161(6) 0.0375(19) Uani 0.98 1 d P
O36 O 0.3887(4) 0.2200(4) 0.1383(7) 0.059(3) Uani 1 1 d .
O37 O 0.4796(2) 0.2110(2) -0.1657(5) 0.0237(14) Uani 1 1 d U
O38 O 0.3802(3) 0.2228(3) -0.3420(7) 0.042(2) Uani 0.95 1 d P
O39 O 0.5295(4) 0.1303(4) 0.1406(7) 0.057(3) Uani 1.00 1 d P
O40 O 0.4812(3) 0.1211(3) -0.1971(6) 0.0382(19) Uani 1 1 d .
N1 N 0.6056(4) 0.3252(5) -0.6485(10) 0.065(4) Uani 1 1 d .
N2 N 0.3720(4) 0.3101(4) -0.5691(9) 0.054(3) Uani 1 1 d .
N3 N 0.2812(4) 0.3757(5) -0.5701(10) 0.060(3) Uani 1 1 d .
N4 N 0.1959(5) 0.6047(5) -0.6508(11) 0.070(4) Uani 1 1 d .
N5 N 0.2741(4) 0.2599(4) -0.4931(8) 0.047(3) Uani 1 1 d .
N6 N 0.1681(4) 0.0457(4) -0.3712(9) 0.053(3) Uani 1 1 d .
N7 N 0.1049(4) -0.0073(4) -0.2191(9) 0.054(3) Uani 1 1 d .
N8 N -0.0767(4) 0.0135(4) 0.0798(9) 0.053(3) Uani 1 1 d .
N9 N 0.1689(4) -0.0769(4) -0.3454(9) 0.050(3) Uani 1 1 d .
N10 N 0.2937(5) -0.2807(5) -0.2354(10) 0.062(4) Uani 1 1 d .
N11 N -0.1167(4) 0.1913(4) -0.0752(9) 0.050(3) Uani 1 1 d .
N12 N 0.1176(4) 0.1672(4) -0.1208(9) 0.053(3) Uani 1 1 d .
N13 N 0.2100(4) 0.1023(4) -0.1034(10) 0.061(3) Uani 1 1 d .
N14 N 0.2904(4) -0.1318(4) -0.0726(9) 0.055(3) Uani 1 1 d .
N15 N 0.2185(4) 0.2140(4) -0.1996(7) 0.043(3) Uani 1 1 d .
N16 N 0.3313(4) 0.4166(4) -0.3573(9) 0.048(3) Uani 1 1 d .
N17 N 0.3285(4) 0.5351(4) -0.4086(9) 0.055(3) Uani 1 1 d .
N18 N 0.2180(4) 0.7495(4) -0.5181(9) 0.050(3) Uani 1 1 d .
N19 N 0.4222(4) 0.4769(4) -0.4547(9) 0.048(3) Uani 1 1 d .
N20 N 0.6011(4) 0.5076(4) -0.7573(9) 0.052(3) Uani 1 1 d .
C1 C 0.5768(7) 0.3160(9) -0.7142(13) 0.100(9) Uani 1 1 d .
H1A H 0.5879 0.3140 -0.7711 0.120 Uiso 1 1 calc R
C2 C 0.5307(7) 0.3093(8) -0.7003(13) 0.078(6) Uani 1 1 d .
H2A H 0.5124 0.3000 -0.7464 0.094 Uiso 1 1 calc R
C3 C 0.5126(5) 0.3166(5) -0.6175(9) 0.049(3) Uani 1 1 d .
C4 C 0.5422(5) 0.3282(5) -0.5514(10) 0.050(3) Uani 1 1 d .
H4A H 0.5318 0.3327 -0.4947 0.060 Uiso 1 1 calc R
C5 C 0.5868(6) 0.3330(6) -0.5691(13) 0.067(5) Uani 1 1 d .
H5A H 0.6055 0.3423 -0.5236 0.080 Uiso 1 1 calc R
C6 C 0.3888(5) 0.3233(6) -0.6486(12) 0.062(4) Uani 1 1 d .
H6A H 0.3689 0.3317 -0.6926 0.075 Uiso 1 1 calc R
C7 C 0.4341(5) 0.3246(6) -0.6668(10) 0.056(4) Uani 1 1 d .
H7A H 0.4439 0.3334 -0.7222 0.067 Uiso 1 1 calc R
C8 C 0.4646(4) 0.3130(4) -0.6029(10) 0.041(3) Uani 1 1 d .
C9 C 0.4477(4) 0.2983(5) -0.5218(10) 0.044(3) Uani 1 1 d .
H9A H 0.4672 0.2896 -0.4771 0.053 Uiso 1 1 calc R
C10 C 0.4026(5) 0.2968(5) -0.5085(11) 0.054(4) Uani 1 1 d .
H10A H 0.3922 0.2859 -0.4547 0.064 Uiso 1 1 calc R
C11 C 0.3071(5) 0.4138(7) -0.5813(15) 0.080(6) Uani 1 1 d .
H11A H 0.3378 0.4095 -0.5755 0.096 Uiso 1 1 calc R
C12 C 0.2932(5) 0.4567(6) -0.5997(16) 0.078(6) Uani 1 1 d .
H12A H 0.3135 0.4804 -0.6133 0.094 Uiso 1 1 calc R
C13 C 0.2463(5) 0.4660(6) -0.5983(13) 0.062(4) Uani 1 1 d .
C14 C 0.2192(6) 0.4301(6) -0.5801(16) 0.082(6) Uani 1 1 d .
H14A H 0.1884 0.4344 -0.5777 0.098 Uiso 1 1 calc R
C15 C 0.2378(6) 0.3865(6) -0.5649(18) 0.095(8) Uani 1 1 d .
H15A H 0.2183 0.3623 -0.5496 0.114 Uiso 1 1 calc R
C16 C 0.1709(6) 0.5720(7) -0.6072(16) 0.085(6) Uani 1 1 d .
H16A H 0.1419 0.5801 -0.5907 0.102 Uiso 1 1 calc R
C17 C 0.1860(6) 0.5277(7) -0.5864(16) 0.086(6) Uani 1 1 d .
H17A H 0.1685 0.5070 -0.5540 0.103 Uiso 1 1 calc R
C18 C 0.2289(5) 0.5145(5) -0.6155(12) 0.056(4) Uani 1 1 d .
C19 C 0.2538(7) 0.5487(6) -0.6540(15) 0.085(7) Uani 1 1 d .
H19A H 0.2836 0.5428 -0.6676 0.102 Uiso 1 1 calc R
C20 C 0.2356(6) 0.5920(7) -0.6734(15) 0.084(6) Uani 1 1 d .
H20A H 0.2531 0.6134 -0.7046 0.100 Uiso 1 1 calc R
C21 C 0.2288(5) 0.2539(5) -0.4989(12) 0.060(4) Uani 1 1 d .
H21A H 0.2118 0.2783 -0.5226 0.072 Uiso 1 1 calc R
C22 C 0.2075(4) 0.2143(5) -0.4720(12) 0.057(4) Uani 1 1 d .
H22A H 0.1764 0.2126 -0.4753 0.069 Uiso 1 1 calc R
C23 C 0.2313(4) 0.1762(4) -0.4397(9) 0.041(3) Uani 1 1 d .
C24 C 0.2765(5) 0.1817(5) -0.4312(11) 0.054(4) Uani 1 1 d .
H24A H 0.2937 0.1580 -0.4057 0.065 Uiso 1 1 calc R
C25 C 0.2972(5) 0.2240(5) -0.4620(11) 0.051(3) Uani 1 1 d .
H25A H 0.3283 0.2263 -0.4600 0.062 Uiso 1 1 calc R
C26 C 0.1499(5) 0.0760(6) -0.4286(14) 0.080(6) Uani 1 1 d .
H26A H 0.1230 0.0679 -0.4552 0.096 Uiso 1 1 calc R
C27 C 0.1691(5) 0.1182(6) -0.4496(14) 0.074(6) Uani 1 1 d .
H27A H 0.1547 0.1388 -0.4877 0.089 Uiso 1 1 calc R
C28 C 0.2097(5) 0.1303(5) -0.4145(10) 0.052(3) Uani 1 1 d .
C29 C 0.2281(6) 0.1002(6) -0.3572(14) 0.076(6) Uani 1 1 d .
H29A H 0.2554 0.1075 -0.3313 0.091 Uiso 1 1 calc R
C30 C 0.2070(6) 0.0586(7) -0.3364(13) 0.075(5) Uani 1 1 d .
H30A H 0.2206 0.0385 -0.2963 0.090 Uiso 1 1 calc R
C31 C 0.0905(6) 0.0350(6) -0.1953(14) 0.072(5) Uani 1 1 d .
H31A H 0.1036 0.0616 -0.2197 0.087 Uiso 1 1 calc R
C32 C 0.0564(6) 0.0404(5) -0.1351(11) 0.062(4) Uani 1 1 d .
H32A H 0.0464 0.0706 -0.1216 0.075 Uiso 1 1 calc R
C33 C 0.0365(5) 0.0013(5) -0.0937(11) 0.053(4) Uani 1 1 d .
C34 C 0.0535(5) -0.0428(4) -0.1172(10) 0.052(4) Uani 1 1 d .
H34A H 0.0427 -0.0701 -0.0907 0.063 Uiso 1 1 calc R
C35 C 0.0862(5) -0.0454(5) -0.1795(11) 0.054(4) Uani 1 1 d .
H35A H 0.0964 -0.0751 -0.1958 0.065 Uiso 1 1 calc R
C36 C -0.0677(6) 0.0452(6) 0.0186(13) 0.065(4) Uani 1 1 d .
H36A H -0.0864 0.0715 0.0166 0.078 Uiso 1 1 calc R
C37 C -0.0342(6) 0.0435(6) -0.0416(11) 0.063(4) Uani 1 1 d .
H37A H -0.0321 0.0659 -0.0860 0.076 Uiso 1 1 calc R
C38 C -0.0019(5) 0.0055(5) -0.0341(10) 0.052(3) Uani 1 1 d .
C39 C -0.0090(4) -0.0260(6) 0.0319(11) 0.057(4) Uani 1 1 d .
H39A H 0.0113 -0.0506 0.0401 0.068 Uiso 1 1 calc R
C40 C -0.0457(5) -0.0223(5) 0.0871(12) 0.059(4) Uani 1 1 d .
H40A H -0.0496 -0.0448 0.1307 0.071 Uiso 1 1 calc R
C41 C 0.1491(4) -0.1185(4) -0.3415(9) 0.041(3) Uani 1 1 d .
H41A H 0.1183 -0.1202 -0.3494 0.050 Uiso 1 1 calc R
C42 C 0.1729(4) -0.1601(5) -0.3260(10) 0.047(3) Uani 1 1 d .
H42A H 0.1576 -0.1886 -0.3232 0.056 Uiso 1 1 calc R
C43 C 0.2195(4) -0.1594(5) -0.3145(11) 0.049(3) Uani 1 1 d .
C44 C 0.2400(5) -0.1147(5) -0.3213(17) 0.081(6) Uani 1 1 d .
H44A H 0.2707 -0.1115 -0.3144 0.097 Uiso 1 1 calc R
C45 C 0.2137(5) -0.0761(6) -0.3383(16) 0.077(6) Uani 1 1 d .
H45A H 0.2280 -0.0472 -0.3455 0.092 Uiso 1 1 calc R
C46 C 0.2494(6) -0.2793(6) -0.2340(18) 0.094(8) Uani 1 1 d .
H46A H 0.2344 -0.3057 -0.2130 0.113 Uiso 1 1 calc R
C47 C 0.2244(5) -0.2421(6) -0.2611(16) 0.078(6) Uani 1 1 d .
H47A H 0.1933 -0.2443 -0.2605 0.093 Uiso 1 1 calc R
C48 C 0.2437(5) -0.2025(5) -0.2885(12) 0.060(4) Uani 1 1 d .
C49 C 0.2902(5) -0.2036(6) -0.2906(16) 0.077(6) Uani 1 1 d .
H49A H 0.3061 -0.1774 -0.3098 0.092 Uiso 1 1 calc R
C50 C 0.3127(6) -0.2433(7) -0.2644(16) 0.083(6) Uani 1 1 d .
H50A H 0.3438 -0.2431 -0.2679 0.099 Uiso 1 1 calc R
C51 C -0.0977(5) 0.1770(7) -0.1505(11) 0.067(5) Uani 1 1 d .
H51A H -0.1166 0.1693 -0.1968 0.081 Uiso 1 1 calc R
C52 C -0.0523(5) 0.1730(6) -0.1636(9) 0.057(4) Uani 1 1 d .
H52A H -0.0411 0.1638 -0.2178 0.069 Uiso 1 1 calc R
C53 C -0.0245(4) 0.1825(4) -0.0964(9) 0.041(3) Uani 1 1 d .
C54 C -0.0435(5) 0.1969(6) -0.0162(11) 0.057(4) Uani 1 1 d .
H54A H -0.0254 0.2039 0.0316 0.069 Uiso 1 1 calc R
C55 C -0.0894(5) 0.2004(6) -0.0099(10) 0.054(4) Uani 1 1 d .
H55A H -0.1017 0.2096 0.0434 0.065 Uiso 1 1 calc R
C56 C 0.0913(5) 0.1726(7) -0.1909(12) 0.067(5) Uani 1 1 d .
H56A H 0.1042 0.1723 -0.2463 0.080 Uiso 1 1 calc R
C57 C 0.0458(5) 0.1784(6) -0.1836(11) 0.059(4) Uani 1 1 d .
H57A H 0.0286 0.1828 -0.2338 0.071 Uiso 1 1 calc R
C58 C 0.0254(4) 0.1778(4) -0.1022(10) 0.043(3) Uani 1 1 d .
C59 C 0.0514(5) 0.1708(5) -0.0316(10) 0.049(3) Uani 1 1 d .
H59A H 0.0387 0.1692 0.0240 0.059 Uiso 1 1 calc R
C60 C 0.0966(5) 0.1663(6) -0.0423(11) 0.054(4) Uani 1 1 d .
H60A H 0.1141 0.1622 0.0076 0.065 Uiso 1 1 calc R
C61 C 0.1832(7) 0.0688(6) -0.0699(16) 0.087(7) Uani 1 1 d .
H61A H 0.1540 0.0768 -0.0549 0.104 Uiso 1 1 calc R
C62 C 0.1980(6) 0.0208(6) -0.0562(15) 0.079(6) Uani 1 1 d .
H62A H 0.1800 -0.0017 -0.0293 0.095 Uiso 1 1 calc R
C63 C 0.2412(5) 0.0103(5) -0.0862(12) 0.058(4) Uani 1 1 d .
C64 C 0.2681(5) 0.0450(6) -0.1171(14) 0.068(5) Uani 1 1 d .
H64A H 0.2976 0.0387 -0.1322 0.082 Uiso 1 1 calc R
C65 C 0.2509(5) 0.0899(6) -0.1259(16) 0.082(7) Uani 1 1 d .
H65A H 0.2694 0.1130 -0.1492 0.099 Uiso 1 1 calc R
C66 C 0.2471(6) -0.1230(6) -0.0721(19) 0.097(8) Uani 1 1 d .
H66A H 0.2272 -0.1481 -0.0684 0.116 Uiso 1 1 calc R
C67 C 0.2304(5) -0.0780(6) -0.0767(17) 0.085(7) Uani 1 1 d .
H67A H 0.1996 -0.0733 -0.0766 0.102 Uiso 1 1 calc R
C68 C 0.2582(5) -0.0405(5) -0.0815(13) 0.061(4) Uani 1 1 d .
C69 C 0.3031(5) -0.0484(6) -0.0784(16) 0.077(6) Uani 1 1 d .
H69A H 0.3231 -0.0233 -0.0795 0.093 Uiso 1 1 calc R
C70 C 0.3182(5) -0.0934(6) -0.0737(15) 0.074(6) Uani 1 1 d .
H70A H 0.3489 -0.0985 -0.0711 0.089 Uiso 1 1 calc R
C71 C 0.2622(5) 0.2189(5) -0.1946(11) 0.054(4) Uani 1 1 d .
H71A H 0.2782 0.1953 -0.1661 0.065 Uiso 1 1 calc R
C72 C 0.2858(4) 0.2564(5) -0.2286(11) 0.052(4) Uani 1 1 d .
H72A H 0.3169 0.2574 -0.2244 0.063 Uiso 1 1 calc R
C73 C 0.2629(4) 0.2924(4) -0.2687(10) 0.042(3) Uani 1 1 d .
C74 C 0.2161(4) 0.2884(5) -0.2705(11) 0.051(3) Uani 1 1 d .
H74A H 0.1988 0.3125 -0.2938 0.061 Uiso 1 1 calc R
C75 C 0.1964(4) 0.2493(5) -0.2382(11) 0.051(4) Uani 1 1 d .
H75A H 0.1655 0.2467 -0.2431 0.061 Uiso 1 1 calc R
C76 C 0.3521(4) 0.3760(4) -0.3480(10) 0.043(3) Uani 1 1 d .
H76A H 0.3825 0.3747 -0.3606 0.052 Uiso 1 1 calc R
C77 C 0.3313(4) 0.3354(4) -0.3206(10) 0.042(3) Uani 1 1 d .
H77A H 0.3477 0.3076 -0.3153 0.051 Uiso 1 1 calc R
C78 C 0.2862(4) 0.3356(4) -0.3009(9) 0.040(3) Uani 1 1 d .
C79 C 0.2641(4) 0.3778(5) -0.3136(13) 0.062(5) Uani 1 1 d .
H79A H 0.2336 0.3799 -0.3025 0.074 Uiso 1 1 calc R
C80 C 0.2867(5) 0.4163(5) -0.3422(15) 0.070(6) Uani 1 1 d .
H80A H 0.2707 0.4440 -0.3519 0.084 Uiso 1 1 calc R
C81 C 0.3450(6) 0.5666(7) -0.4643(17) 0.108(10) Uani 1 1 d .
H81A H 0.3720 0.5595 -0.4918 0.130 Uiso 1 1 calc R
C82 C 0.3246(5) 0.6094(7) -0.4843(19) 0.109(10) Uani 1 1 d .
H82A H 0.3393 0.6309 -0.5202 0.131 Uiso 1 1 calc R
C83 C 0.2836(4) 0.6202(5) -0.4521(11) 0.051(3) Uani 1 1 d .
C84 C 0.2671(7) 0.5884(7) -0.3952(16) 0.100(9) Uani 1 1 d .
H84A H 0.2402 0.5949 -0.3670 0.120 Uiso 1 1 calc R
C85 C 0.2892(7) 0.5456(7) -0.3770(16) 0.098(8) Uani 1 1 d .
H85A H 0.2751 0.5238 -0.3408 0.118 Uiso 1 1 calc R
C86 C 0.2611(5) 0.7454(5) -0.5265(17) 0.084(7) Uani 1 1 d .
H86A H 0.2776 0.7711 -0.5463 0.101 Uiso 1 1 calc R
C87 C 0.2835(5) 0.7033(6) -0.5065(16) 0.080(6) Uani 1 1 d .
H87A H 0.3142 0.7011 -0.5158 0.096 Uiso 1 1 calc R
C88 C 0.2608(4) 0.6655(5) -0.4736(10) 0.046(3) Uani 1 1 d .
C89 C 0.2170(5) 0.6706(5) -0.4637(11) 0.056(4) Uani 1 1 d .
H89A H 0.2001 0.6463 -0.4396 0.067 Uiso 1 1 calc R
C90 C 0.1963(5) 0.7128(5) -0.4899(11) 0.054(4) Uani 1 1 d .
H90A H 0.1652 0.7145 -0.4869 0.064 Uiso 1 1 calc R
C91 C 0.4324(5) 0.4451(5) -0.5130(13) 0.062(4) Uani 1 1 d .
H91A H 0.4152 0.4178 -0.5139 0.074 Uiso 1 1 calc R
C92 C 0.4663(5) 0.4485(5) -0.5731(11) 0.058(4) Uani 1 1 d .
H92A H 0.4701 0.4253 -0.6154 0.070 Uiso 1 1 calc R
C93 C 0.4946(4) 0.4867(5) -0.5701(11) 0.048(3) Uani 1 1 d .
C94 C 0.4863(5) 0.5189(5) -0.5060(11) 0.055(4) Uani 1 1 d .
H94A H 0.5057 0.5442 -0.4986 0.066 Uiso 1 1 calc R
C95 C 0.4501(5) 0.5147(5) -0.4530(12) 0.059(4) Uani 1 1 d .
H95A H 0.4442 0.5389 -0.4135 0.071 Uiso 1 1 calc R
C96 C 0.5864(6) 0.4633(5) -0.7375(12) 0.065(5) Uani 1 1 d .
H96A H 0.5998 0.4375 -0.7647 0.078 Uiso 1 1 calc R
C97 C 0.5521(6) 0.4554(6) -0.6777(13) 0.068(5) Uani 1 1 d .
H97A H 0.5424 0.4248 -0.6667 0.082 Uiso 1 1 calc R
C98 C 0.5322(4) 0.4926(4) -0.6346(11) 0.050(3) Uani 1 1 d .
C99 C 0.5489(5) 0.5370(5) -0.6537(11) 0.052(3) Uani 1 1 d .
H99A H 0.5370 0.5632 -0.6257 0.062 Uiso 1 1 calc R
C100 C 0.5825(5) 0.5427(5) -0.7126(10) 0.052(4) Uani 1 1 d .
H10B H 0.5931 0.5731 -0.7223 0.063 Uiso 1 1 calc R
O1W O 0.3833(6) 0.4440(6) 0.0317(14) 0.131(7) Uani 1 1 d .
O2W O 0.3786(8) 0.0229(9) -0.1732(18) 0.080(8) Uani 0.50 1 d P
O3W O 0.4401(7) 0.4642(7) 0.1841(16) 0.063(6) Uani 0.50 1 d P
O4W O 0.4702(8) 0.0430(8) -0.3081(19) 0.088(10) Uani 0.50 1 d P
O5W O 0.6680(9) 0.3902(10) -0.284(2) 0.109(12) Uani 0.50 1 d P
O6W O 0.6272(7) 0.4887(9) -0.2065(17) 0.070(7) Uani 0.50 1 d P
O7W O 0.3364(6) 0.1115(8) -0.268(2) 0.083(9) Uani 0.50 1 d P
O8W O 0.5297(7) 0.4485(7) -0.3484(17) 0.070(7) Uani 0.50 1 d P
O9W O 0.3559(7) 0.3564(6) 0.1412(16) 0.067(7) Uani 0.50 1 d P
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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'
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
N10 Cu1 N1 123.9(6) 2_654 .
N10 Cu1 N4 122.8(6) 2_654 3_565
N1 Cu1 N4 113.4(6) . 3_565
N5 Cu2 N3 126.1(5) . .
N5 Cu2 N2 122.0(5) . .
N3 Cu2 N2 111.9(5) . .
N9 Cu3 N6 117.5(5) . .
N9 Cu3 N7 109.5(5) . .
N6 Cu3 N7 107.8(5) . .
N9 Cu3 N8 115.5(5) . 2_554
N6 Cu3 N8 105.0(5) . 2_554
N7 Cu3 N8 99.8(5) . 2_554
N18 Cu4 N14 123.9(5) 2_565 3_455
N18 Cu4 N11 127.3(5) 2_565 .
N14 Cu4 N11 108.4(5) 3_455 .
N15 Cu5 N13 123.8(5) . .
N15 Cu5 N12 123.0(5) . .
N13 Cu5 N12 112.7(5) . .
N17 Cu6 N16 116.4(5) . .
N17 Cu6 N20 109.5(5) . 2_665
N16 Cu6 N20 107.4(5) . 2_665
N17 Cu6 N19 107.5(5) . .
N16 Cu6 N19 117.4(5) . .
N20 Cu6 N19 96.7(5) 2_665 .
O7 W1 O22 102.3(5) . .
O7 W1 O25 98.7(5) . .
O22 W1 O25 90.6(4) . .
O7 W1 O11 102.4(4) . .
O22 W1 O11 88.4(4) . .
O25 W1 O11 158.7(4) . .
O7 W1 O35 99.5(4) . .
O22 W1 O35 158.1(4) . .
O25 W1 O35 86.6(4) . .
O11 W1 O35 86.6(4) . .
O7 W1 O34 169.7(4) . .
O22 W1 O34 85.3(3) . .
O25 W1 O34 74.1(3) . .
O11 W1 O34 84.6(3) . .
O35 W1 O34 73.1(3) . .
O32 W2 O3 102.2(4) . .
O32 W2 O40 99.4(4) . .
O3 W2 O40 90.2(4) . .
O32 W2 O26 101.7(4) . .
O3 W2 O26 86.8(3) . .
O40 W2 O26 158.8(3) . .
O32 W2 O4 99.8(4) . .
O3 W2 O4 158.0(3) . .
O40 W2 O4 87.2(4) . .
O26 W2 O4 87.7(4) . .
O32 W2 O37 169.7(3) . .
O3 W2 O37 85.6(3) . .
O40 W2 O37 73.6(3) . .
O26 W2 O37 85.3(3) . .
O4 W2 O37 72.7(3) . .
O38 W3 O16 100.3(4) . .
O38 W3 O4 100.5(4) . .
O16 W3 O4 89.4(4) . .
O38 W3 O19 101.2(4) . .
O16 W3 O19 85.7(3) . .
O4 W3 O19 158.2(4) . .
O38 W3 O12 99.9(4) . .
O16 W3 O12 159.7(3) . .
O4 W3 O12 88.7(4) . .
O19 W3 O12 88.5(4) . .
O38 W3 O37 171.8(4) . .
O16 W3 O37 86.1(3) . .
O4 W3 O37 74.1(3) . .
O19 W3 O37 84.3(3) . .
O12 W3 O37 74.0(3) . .
O9 W4 O13 101.6(4) . .
O9 W4 O30 101.5(4) . .
O13 W4 O30 87.5(4) . .
O9 W4 O40 98.9(4) . .
O13 W4 O40 159.5(3) . .
O30 W4 O40 89.6(3) . .
O9 W4 O12 99.4(4) . .
O13 W4 O12 88.6(3) . .
O30 W4 O12 159.2(3) . .
O40 W4 O12 86.9(4) . .
O9 W4 O37 170.1(4) . .
O13 W4 O37 85.3(3) . .
O30 W4 O37 85.8(3) . .
O40 W4 O37 74.3(3) . .
O12 W4 O37 73.5(3) . .
O39 W5 O8 101.3(5) . .
O39 W5 O17 100.4(4) . .
O8 W5 O17 89.8(4) . .
O39 W5 O30 99.5(4) . .
O8 W5 O30 159.2(4) . .
O17 W5 O30 86.5(4) . .
O39 W5 O18 99.6(4) . .
O8 W5 O18 89.3(4) . .
O17 W5 O18 159.7(4) . .
O30 W5 O18 87.2(4) . .
O39 W5 O24 172.9(4) . .
O8 W5 O24 75.4(3) . .
O17 W5 O24 86.0(3) . .
O30 W5 O24 83.9(3) . .
O18 W5 O24 74.2(3) . .
O28 W6 O31 101.5(4) . .
O28 W6 O33 99.5(4) . .
O31 W6 O33 158.9(3) . .
O28 W6 O35 99.8(4) . .
O31 W6 O35 89.7(4) . .
O33 W6 O35 88.6(4) . .
O28 W6 O19 102.1(4) . .
O31 W6 O19 85.1(4) . .
O33 W6 O19 88.7(4) . .
O35 W6 O19 158.0(3) . .
O28 W6 O34 170.4(4) . .
O31 W6 O34 85.3(3) . .
O33 W6 O34 74.1(3) . .
O35 W6 O34 73.3(3) . .
O19 W6 O34 85.0(3) . .
O6 W7 O10 101.0(4) . .
O6 W7 O3 100.5(4) . .
O10 W7 O3 158.4(3) . .
O6 W7 O21 101.8(4) . .
O10 W7 O21 89.7(4) . .
O3 W7 O21 84.4(4) . .
O6 W7 O18 99.8(4) . .
O10 W7 O18 89.4(4) . .
O3 W7 O18 88.4(4) . .
O21 W7 O18 158.2(3) . .
O6 W7 O24 171.9(4) . .
O10 W7 O24 75.0(3) . .
O3 W7 O24 83.8(3) . .
O21 W7 O24 85.4(3) . .
O18 W7 O24 73.4(3) . .
O36 W8 O17 102.0(4) . .
O36 W8 O13 100.0(5) . .
O17 W8 O13 87.2(4) . .
O36 W8 O33 97.9(4) . .
O17 W8 O33 160.1(4) . .
O13 W8 O33 88.6(4) . .
O36 W8 O25 100.3(5) . .
O17 W8 O25 89.5(4) . .
O13 W8 O25 159.7(4) . .
O33 W8 O25 87.7(4) . .
O36 W8 O34 170.4(4) . .
O17 W8 O34 85.7(3) . .
O13 W8 O34 86.0(3) . .
O33 W8 O34 74.6(3) . .
O25 W8 O34 73.7(3) . .
O23 W9 O2 102.7(5) . .
O23 W9 O11 102.3(4) . .
O2 W9 O11 88.2(4) . .
O23 W9 O29 98.7(5) . .
O2 W9 O29 158.6(4) . .
O11 W9 O29 88.4(4) . .
O23 W9 O15 98.5(4) . .
O2 W9 O15 89.2(4) . .
O11 W9 O15 159.0(4) . .
O29 W9 O15 86.5(4) . .
O23 W9 O5 168.8(4) . .
O2 W9 O5 85.4(3) . .
O11 W9 O5 85.5(3) . .
O29 W9 O5 73.3(3) . .
O15 W9 O5 73.6(3) . .
O1 W10 O10 99.3(5) . .
O1 W10 O2 97.8(5) . .
O10 W10 O2 91.0(4) . .
O1 W10 O22 99.2(5) . .
O10 W10 O22 161.4(4) . .
O2 W10 O22 86.5(4) . .
O1 W10 O8 99.7(5) . .
O10 W10 O8 88.4(4) . .
O2 W10 O8 162.3(4) . .
O22 W10 O8 88.5(4) . .
O1 W10 O24 172.1(5) . .
O10 W10 O24 75.2(3) . .
O2 W10 O24 88.0(3) . .
O22 W10 O24 86.4(3) . .
O8 W10 O24 74.7(3) . .
O27 W11 O29 100.5(4) . .
O27 W11 O31 102.5(4) . .
O29 W11 O31 89.1(4) . .
O27 W11 O14 100.1(4) . .
O29 W11 O14 88.7(4) . .
O31 W11 O14 157.4(4) . .
O27 W11 O16 101.8(4) . .
O29 W11 O16 157.8(4) . .
O31 W11 O16 85.3(3) . .
O14 W11 O16 88.3(4) . .
O27 W11 O5 170.3(4) . .
O29 W11 O5 73.1(3) . .
O31 W11 O5 84.9(3) . .
O14 W11 O5 73.0(3) . .
O16 W11 O5 85.0(3) . .
O20 W12 O26 100.7(4) . .
O20 W12 O21 100.0(4) . .
O26 W12 O21 86.1(3) . .
O20 W12 O14 101.0(4) . .
O26 W12 O14 87.6(4) . .
O21 W12 O14 158.8(4) . .
O20 W12 O15 99.5(4) . .
O26 W12 O15 159.8(4) . .
O21 W12 O15 90.5(4) . .
O14 W12 O15 88.5(4) . .
O20 W12 O5 172.0(4) . .
O26 W12 O5 85.6(3) . .
O21 W12 O5 85.2(3) . .
O14 W12 O5 74.2(3) . .
O15 W12 O5 74.3(3) . .
O5 Si1 O34 109.6(4) . .
O5 Si1 O37 109.3(4) . .
O34 Si1 O37 109.7(4) . .
O5 Si1 O24 109.8(4) . .
O34 Si1 O24 109.4(5) . .
O37 Si1 O24 109.0(4) . .
W9 O2 W10 149.0(5) . .
W2 O3 W7 151.6(5) . .
W3 O4 W2 122.0(5) . .
Si1 O5 W12 125.5(4) . .
Si1 O5 W9 124.2(5) . .
W12 O5 W9 91.6(3) . .
Si1 O5 W11 124.0(4) . .
W12 O5 W11 90.7(3) . .
W9 O5 W11 90.8(3) . .
W5 O8 W10 118.8(4) . .
W7 O10 W10 119.9(4) . .
W9 O11 W1 148.7(5) . .
W3 O12 W4 120.3(4) . .
W4 O13 W8 149.0(5) . .
W11 O14 W12 122.0(5) . .
W12 O15 W9 120.6(4) . .
W3 O16 W11 151.2(5) . .
W8 O17 W5 149.7(5) . .
W7 O18 W5 120.2(4) . .
W3 O19 W6 150.7(5) . .
W12 O21 W7 151.8(5) . .
W1 O22 W10 149.3(5) . .
Si1 O24 W5 125.9(4) . .
Si1 O24 W10 122.4(4) . .
W5 O24 W10 91.1(3) . .
Si1 O24 W7 125.3(4) . .
W5 O24 W7 92.0(3) . .
W10 O24 W7 89.9(3) . .
W1 O25 W8 120.5(4) . .
W12 O26 W2 149.2(5) . .
W11 O29 W9 122.9(5) . .
W4 O30 W5 149.8(5) . .
W6 O31 W11 152.2(5) . .
W6 O33 W8 120.3(4) . .
Si1 O34 W8 124.1(4) . .
Si1 O34 W1 124.7(4) . .
W8 O34 W1 91.6(3) . .
Si1 O34 W6 123.6(4) . .
W8 O34 W6 91.0(3) . .
W1 O34 W6 92.1(3) . .
W6 O35 W1 121.6(4) . .
Si1 O37 W3 125.4(4) . .
Si1 O37 W4 123.9(4) . .
W3 O37 W4 92.2(2) . .
Si1 O37 W2 123.1(4) . .
W3 O37 W2 91.2(3) . .
W4 O37 W2 91.3(2) . .
W2 O40 W4 120.9(4) . .
C1 N1 C5 115.7(13) . .
C1 N1 Cu1 117.3(11) . .
C5 N1 Cu1 126.7(13) . .
C10 N2 C6 115.9(13) . .
C10 N2 Cu2 122.3(10) . .
C6 N2 Cu2 121.8(11) . .
C15 N3 C11 112.7(15) . .
C15 N3 Cu2 124.4(11) . .
C11 N3 Cu2 122.0(12) . .
C20 N4 C16 116.5(17) . .
C20 N4 Cu1 122.8(13) . 3_465
C16 N4 Cu1 120.7(12) . 3_465
C25 N5 C21 116.5(12) . .
C25 N5 Cu2 118.5(9) . .
C21 N5 Cu2 124.3(10) . .
C30 N6 C26 116.1(13) . .
C30 N6 Cu3 125.2(11) . .
C26 N6 Cu3 118.7(10) . .
C31 N7 C35 117.7(14) . .
C31 N7 Cu3 119.1(12) . .
C35 N7 Cu3 118.8(10) . .
C36 N8 C40 115.0(13) . .
C36 N8 Cu3 123.4(10) . 2
C40 N8 Cu3 121.6(11) . 2
C41 N9 C45 117.2(12) . .
C41 N9 Cu3 122.3(9) . .
C45 N9 Cu3 119.7(11) . .
C50 N10 C46 115.1(14) . .
C50 N10 Cu1 120.6(12) . 2_655
C46 N10 Cu1 123.6(13) . 2_655
C55 N11 C51 116.6(12) . .
C55 N11 Cu4 119.9(10) . .
C51 N11 Cu4 123.4(10) . .
C56 N12 C60 116.0(12) . .
C56 N12 Cu5 118.7(10) . .
C60 N12 Cu5 125.2(11) . .
C65 N13 C61 117.6(15) . .
C65 N13 Cu5 121.6(12) . .
C61 N13 Cu5 119.7(12) . .
C66 N14 C70 116.3(13) . .
C66 N14 Cu4 123.8(11) . 3
C70 N14 Cu4 119.4(10) . 3
C71 N15 C75 115.9(11) . .
C71 N15 Cu5 124.2(10) . .
C75 N15 Cu5 119.2(9) . .
C76 N16 C80 116.3(11) . .
C76 N16 Cu6 121.9(9) . .
C80 N16 Cu6 121.1(9) . .
C85 N17 C81 114.8(14) . .
C85 N17 Cu6 125.0(11) . .
C81 N17 Cu6 120.0(10) . .
C90 N18 C86 117.0(12) . .
C90 N18 Cu4 118.5(10) . 2_564
C86 N18 Cu4 124.1(10) . 2_564
C91 N19 C95 114.5(13) . .
C91 N19 Cu6 127.1(9) . .
C95 N19 Cu6 118.1(11) . .
C100 N20 C96 116.2(13) . .
C100 N20 Cu6 119.8(10) . 2_664
C96 N20 Cu6 121.4(10) . 2_664
N1 C1 C2 122.6(16) . .
C3 C2 C1 119.9(18) . .
C4 C3 C2 116.6(14) . .
C4 C3 C8 122.5(13) . .
C2 C3 C8 120.9(14) . .
C5 C4 C3 120.3(14) . .
N1 C5 C4 124.3(17) . .
N2 C6 C7 123.1(15) . .
C6 C7 C8 120.0(14) . .
C7 C8 C9 117.3(12) . .
C7 C8 C3 121.9(14) . .
C9 C8 C3 120.8(13) . .
C10 C9 C8 119.9(13) . .
N2 C10 C9 123.7(14) . .
C12 C11 N3 126.2(16) . .
C11 C12 C13 118.5(14) . .
C14 C13 C12 117.4(16) . .
C14 C13 C18 121.9(15) . .
C12 C13 C18 120.7(13) . .
C13 C14 C15 118.5(16) . .
N3 C15 C14 125.9(15) . .
N4 C16 C17 123.6(16) . .
C16 C17 C18 118.1(16) . .
C19 C18 C17 116.5(16) . .
C19 C18 C13 122.9(14) . .
C17 C18 C13 120.5(14) . .
C18 C19 C20 121.1(17) . .
N4 C20 C19 123.8(18) . .
C22 C21 N5 123.3(14) . .
C21 C22 C23 120.7(13) . .
C24 C23 C22 117.1(12) . .
C24 C23 C28 119.9(12) . .
C22 C23 C28 123.0(12) . .
C23 C24 C25 119.5(13) . .
N5 C25 C24 122.6(12) . .
N6 C26 C27 123.0(14) . .
C28 C27 C26 120.0(14) . .
C29 C28 C27 117.4(14) . .
C29 C28 C23 122.8(14) . .
C27 C28 C23 119.8(13) . .
C28 C29 C30 120.6(15) . .
N6 C30 C29 122.9(15) . .
N7 C31 C32 121.6(15) . .
C31 C32 C33 121.5(14) . .
C34 C33 C32 115.9(13) . .
C34 C33 C38 121.0(13) . .
C32 C33 C38 123.0(13) . .
C35 C34 C33 119.1(13) . .
N7 C35 C34 124.2(13) . .
N8 C36 C37 127.0(14) . .
C36 C37 C38 117.5(15) . .
C39 C38 C37 116.2(14) . .
C39 C38 C33 121.8(14) . .
C37 C38 C33 122.0(14) . .
C38 C39 C40 121.5(15) . .
N8 C40 C39 122.5(16) . .
N9 C41 C42 122.2(12) . .
C41 C42 C43 121.1(12) . .
C42 C43 C44 115.6(13) . .
C42 C43 C48 120.7(13) . .
C44 C43 C48 123.5(13) . .
C45 C44 C43 118.9(15) . .
N9 C45 C44 124.8(16) . .
N10 C46 C47 124.7(17) . .
C48 C47 C46 120.8(16) . .
C47 C48 C49 114.9(14) . .
C47 C48 C43 124.8(14) . .
C49 C48 C43 120.2(15) . .
C50 C49 C48 120.1(17) . .
N10 C50 C49 124.3(17) . .
N11 C51 C52 124.4(14) . .
C53 C52 C51 118.7(13) . .
C52 C53 C54 118.1(12) . .
C52 C53 C58 123.4(13) . .
C54 C53 C58 118.6(13) . .
C55 C54 C53 118.9(14) . .
N11 C55 C54 123.4(14) . .
N12 C56 C57 122.1(16) . .
C56 C57 C58 120.5(16) . .
C59 C58 C57 117.8(12) . .
C59 C58 C53 122.7(13) . .
C57 C58 C53 119.4(14) . .
C58 C59 C60 119.4(14) . .
N12 C60 C59 124.2(15) . .
N13 C61 C62 122.6(18) . .
C63 C62 C61 115.7(17) . .
C64 C63 C62 120.4(15) . .
C64 C63 C68 120.3(14) . .
C62 C63 C68 119.3(14) . .
C63 C64 C65 118.9(15) . .
N13 C65 C64 124.5(16) . .
N14 C66 C67 122.2(15) . .
C68 C67 C66 120.8(15) . .
C67 C68 C69 118.4(14) . .
C67 C68 C63 122.7(15) . .
C69 C68 C63 118.9(14) . .
C70 C69 C68 118.9(15) . .
C69 C70 N14 123.2(15) . .
N15 C71 C72 124.7(14) . .
C73 C72 C71 119.0(13) . .
C72 C73 C74 116.5(12) . .
C72 C73 C78 121.5(11) . .
C74 C73 C78 121.7(11) . .
C75 C74 C73 119.7(13) . .
N15 C75 C74 124.1(12) . .
N16 C76 C77 123.5(12) . .
C76 C77 C78 120.3(11) . .
C77 C78 C79 116.1(12) . .
C77 C78 C73 121.6(11) . .
C79 C78 C73 122.4(12) . .
C80 C79 C78 120.4(13) . .
C79 C80 N16 123.3(12) . .
N17 C81 C82 124.2(17) . .
C83 C82 C81 120.8(16) . .
C84 C83 C82 114.6(14) . .
C84 C83 C88 123.4(14) . .
C82 C83 C88 121.8(14) . .
C83 C84 C85 122.1(16) . .
N17 C85 C84 123.0(16) . .
N18 C86 C87 121.9(14) . .
C88 C87 C86 120.9(15) . .
C89 C88 C87 116.5(13) . .
C89 C88 C83 121.3(13) . .
C87 C88 C83 122.1(12) . .
C88 C89 C90 119.8(13) . .
N18 C90 C89 123.8(14) . .
N19 C91 C92 125.5(13) . .
C91 C92 C93 119.2(15) . .
C94 C93 C92 116.2(14) . .
C94 C93 C98 122.1(12) . .
C92 C93 C98 121.7(14) . .
C95 C94 C93 121.0(13) . .
C94 C95 N19 123.2(16) . .
N20 C96 C97 121.9(15) . .
C98 C97 C96 120.6(14) . .
C97 C98 C99 116.1(14) . .
C97 C98 C93 123.3(12) . .
C99 C98 C93 120.6(13) . .
C100 C99 C98 121.0(14) . .
N20 C100 C99 124.0(14) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N10 1.990(12) 2_654
Cu1 N1 2.003(12) .
Cu1 N4 2.009(15) 3_565
Cu2 N5 1.951(11) .
Cu2 N3 1.970(14) .
Cu2 N2 2.001(13) .
Cu3 N9 2.027(11) .
Cu3 N6 2.064(11) .
Cu3 N7 2.082(13) .
Cu3 N8 2.088(12) 2_554
Cu4 N18 1.956(11) 2_565
Cu4 N14 1.979(12) 3_455
Cu4 N11 2.025(11) .
Cu5 N15 1.979(10) .
Cu5 N13 1.986(13) .
Cu5 N12 2.012(11) .
Cu6 N17 2.024(11) .
Cu6 N16 2.040(10) .
Cu6 N20 2.082(13) 2_665
Cu6 N19 2.100(12) .
W1 O7 1.736(10) .
W1 O22 1.858(9) .
W1 O25 1.903(9) .
W1 O11 1.911(9) .
W1 O35 1.960(8) .
W1 O34 2.335(8) .
W2 O32 1.705(9) .
W2 O3 1.901(9) .
W2 O40 1.922(9) .
W2 O26 1.926(8) .
W2 O4 1.929(8) .
W2 O37 2.369(7) .
W3 O38 1.709(9) .
W3 O16 1.887(8) .
W3 O4 1.905(8) .
W3 O19 1.913(9) .
W3 O12 1.920(9) .
W3 O37 2.326(7) .
W4 O9 1.717(10) .
W4 O13 1.898(9) .
W4 O30 1.909(9) .
W4 O40 1.939(9) .
W4 O12 1.948(9) .
W4 O37 2.328(7) .
W5 O39 1.722(10) .
W5 O8 1.907(10) .
W5 O17 1.914(9) .
W5 O30 1.926(9) .
W5 O18 1.936(9) .
W5 O24 2.309(8) .
W6 O28 1.704(8) .
W6 O31 1.901(8) .
W6 O33 1.910(9) .
W6 O35 1.912(9) .
W6 O19 1.925(9) .
W6 O34 2.362(7) .
W7 O6 1.705(8) .
W7 O10 1.890(9) .
W7 O3 1.918(9) .
W7 O21 1.924(9) .
W7 O18 1.928(10) .
W7 O24 2.347(7) .
W8 O36 1.718(10) .
W8 O17 1.910(9) .
W8 O13 1.924(9) .
W8 O33 1.940(9) .
W8 O25 1.943(9) .
W8 O34 2.323(8) .
W9 O23 1.713(9) .
W9 O2 1.864(10) .
W9 O11 1.886(9) .
W9 O29 1.929(10) .
W9 O15 1.934(9) .
W9 O5 2.347(7) .
W10 O1 1.721(12) .
W10 O10 1.919(9) .
W10 O2 1.924(10) .
W10 O22 1.928(9) .
W10 O8 1.933(11) .
W10 O24 2.320(7) .
W11 O27 1.691(9) .
W11 O29 1.899(8) .
W11 O31 1.902(8) .
W11 O14 1.913(8) .
W11 O16 1.920(8) .
W11 O5 2.376(8) .
W12 O20 1.720(9) .
W12 O26 1.900(8) .
W12 O21 1.907(10) .
W12 O14 1.911(9) .
W12 O15 1.923(9) .
W12 O5 2.326(8) .
Si1 O5 1.617(8) .
Si1 O34 1.621(8) .
Si1 O37 1.622(7) .
Si1 O24 1.622(8) .
N1 C1 1.35(3) .
N1 C5 1.35(2) .
N2 C10 1.35(2) .
N2 C6 1.37(2) .
N3 C15 1.34(2) .
N3 C11 1.337(19) .
N4 C20 1.29(2) .
N4 C16 1.37(2) .
N4 Cu1 2.009(15) 3_465
N5 C25 1.319(18) .
N5 C21 1.366(18) .
N6 C30 1.33(2) .
N6 C26 1.343(18) .
N7 C31 1.32(2) .
N7 C35 1.358(17) .
N8 C36 1.32(2) .
N8 C40 1.379(19) .
N8 Cu3 2.088(12) 2
N9 C41 1.321(16) .
N9 C45 1.346(19) .
N10 C50 1.28(2) .
N10 C46 1.32(2) .
N10 Cu1 1.990(12) 2_655
N11 C55 1.31(2) .
N11 C51 1.35(2) .
N12 C56 1.34(2) .
N12 C60 1.35(2) .
N13 C65 1.317(19) .
N13 C61 1.34(2) .
N14 C66 1.32(2) .
N14 C70 1.369(18) .
N14 Cu4 1.979(12) 3
N15 C71 1.314(17) .
N15 C75 1.337(18) .
N16 C76 1.315(16) .
N16 C80 1.355(17) .
N17 C85 1.30(2) .
N17 C81 1.327(19) .
N18 C90 1.301(18) .
N18 C86 1.302(19) .
N18 Cu4 1.956(11) 2_564
N19 C91 1.30(2) .
N19 C95 1.360(16) .
N20 C100 1.329(18) .
N20 C96 1.366(17) .
N20 Cu6 2.082(13) 2_664
C1 C2 1.41(3) .
C2 C3 1.39(2) .
C3 C4 1.38(2) .
C3 C8 1.452(18) .
C4 C5 1.37(2) .
C6 C7 1.38(2) .
C7 C8 1.38(2) .
C8 C9 1.40(2) .
C9 C10 1.366(19) .
C11 C12 1.32(2) .
C12 C13 1.42(2) .
C13 C14 1.33(2) .
C13 C18 1.49(2) .
C14 C15 1.38(3) .
C16 C17 1.37(3) .
C17 C18 1.41(2) .
C18 C19 1.36(2) .
C19 C20 1.37(3) .
C21 C22 1.36(2) .
C22 C23 1.384(17) .
C23 C24 1.365(17) .
C23 C28 1.504(18) .
C24 C25 1.431(19) .
C26 C27 1.36(2) .
C27 C28 1.37(2) .
C28 C29 1.34(2) .
C29 C30 1.37(2) .
C31 C32 1.38(2) .
C32 C33 1.408(19) .
C33 C34 1.397(18) .
C33 C38 1.47(2) .
C34 C35 1.37(2) .
C36 C37 1.36(2) .
C37 C38 1.45(2) .
C38 C39 1.36(2) .
C39 C40 1.39(2) .
C41 C42 1.396(17) .
C42 C43 1.404(18) .
C43 C44 1.412(19) .
C43 C48 1.474(19) .
C44 C45 1.37(2) .
C46 C47 1.36(2) .
C47 C48 1.33(2) .
C48 C49 1.39(2) .
C49 C50 1.37(2) .
C51 C52 1.38(2) .
C52 C53 1.349(19) .
C53 C54 1.41(2) .
C53 C58 1.500(17) .
C54 C55 1.38(2) .
C56 C57 1.37(2) .
C57 C58 1.39(2) .
C58 C59 1.34(2) .
C59 C60 1.37(2) .
C61 C62 1.45(2) .
C62 C63 1.40(2) .
C63 C64 1.35(2) .
C63 C68 1.530(19) .
C64 C65 1.38(2) .
C66 C67 1.37(2) .
C67 C68 1.35(2) .
C68 C69 1.36(2) .
C69 C70 1.36(2) .
C71 C72 1.380(18) .
C72 C73 1.372(19) .
C73 C74 1.403(16) .
C73 C78 1.493(17) .
C74 C75 1.348(18) .
C76 C77 1.375(17) .
C77 C78 1.381(17) .
C78 C79 1.382(17) .
C79 C80 1.355(19) .
C81 C82 1.39(2) .
C82 C83 1.35(2) .
C83 C84 1.34(2) .
C83 C88 1.491(17) .
C84 C85 1.41(2) .
C86 C87 1.40(2) .
C87 C88 1.36(2) .
C88 C89 1.326(18) .
C89 C90 1.41(2) .
C91 C92 1.37(2) .
C92 C93 1.372(18) .
C93 C94 1.36(2) .
C93 C98 1.51(2) .
C94 C95 1.36(2) .
C96 C97 1.39(2) .
C97 C98 1.38(2) .
C98 C99 1.384(18) .
C99 C100 1.36(2) .
