#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:03:41 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180024 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/18/7031859.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_7031859
loop_
_publ_author_name
'Xu, Xinxin'
'Gao, Xin'
'Cui, Zhongping'
'Liu, Xiaoxia'
'Zhang, Xia'
_publ_section_title
;
 Loading of PPy on the surface of transition metal coordination polymer
 modified polyoxometalate (TMCP/POM): a feasible strategy to obtain
 visible light active and high quantum yields POM based photocatalyst.
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13424
_journal_page_last               13433
_journal_paper_doi               10.1039/c4dt01279h
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'C36 H32 Cu4 N8 O52 Si W12'
_chemical_formula_weight         3897.15
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_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                 116.804(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.0612(7)
_cell_length_b                   19.6783(11)
_cell_length_c                   16.3392(7)
_cell_measurement_reflns_used    18903
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      1.74
_cell_volume                     3461.3(3)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1990)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.944
_diffrn_measured_fraction_theta_max 0.944
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0315
_diffrn_reflns_av_sigmaI/netI    0.0309
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            18903
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.74
_exptl_absorpt_coefficient_mu    21.177
_exptl_absorpt_correction_T_max  0.120
_exptl_absorpt_correction_T_min  0.058
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    3.739
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3476
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.1
_refine_diff_density_max         5.436
_refine_diff_density_min         -5.578
_refine_diff_density_rms         0.424
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.279
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     469
_refine_ls_number_reflns         5761
_refine_ls_number_restraints     115
_refine_ls_restrained_S_all      1.285
_refine_ls_R_factor_all          0.0599
_refine_ls_R_factor_gt           0.0584
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1650P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2220
_refine_ls_wR_factor_ref         0.2240
_reflns_number_gt                5593
_reflns_number_total             5761
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt01279h2.cif
_cod_data_source_block           CuSiW12
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 7031859.cif.
;
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7031859
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
W1 W 1.45248(6) 0.17526(3) 0.45116(5) 0.0175(2) Uani 1 1 d .
Cu1 Cu 1.1297(2) 0.14132(11) 0.05085(15) 0.0258(5) Uani 1 1 d .
Si1 Si 1.5000 0.0000 0.5000 0.0150(13) Uani 1 2 d S
O1 O 0.9833(14) 0.2826(8) 0.1534(12) 0.047(4) Uani 1 1 d .
N1 N 0.9430(15) 0.1406(8) 0.0060(11) 0.030(2) Uani 1 1 d .
C1 C 0.8596(19) 0.0959(10) -0.0471(14) 0.030(2) Uani 1 1 d .
H1A H 0.8875 0.0617 -0.0725 0.036 Uiso 1 1 calc R
O1W O 0.9194(16) 0.2165(8) 0.3455(14) 0.051(5) Uani 1 1 d D
W2 W 1.26368(6) 0.05437(4) 0.28721(4) 0.0188(2) Uani 1 1 d .
Cu2 Cu 1.1018(3) 0.31722(12) 0.27227(17) 0.0326(6) Uani 1 1 d D
O2 O 1.2445(15) 0.2997(7) 0.2287(10) 0.036(2) Uani 1 1 d .
N2 N 1.1146(15) 0.2232(9) 0.1078(11) 0.030(2) Uani 1 1 d .
C2 C 0.739(2) 0.0951(11) -0.0676(14) 0.035(5) Uani 1 1 d U
H2A H 0.6819 0.0639 -0.1071 0.042 Uiso 1 1 calc R
N3 N 1.3095(15) 0.1665(7) 0.1092(10) 0.023(3) Uani 1 1 d U
C3 C 0.7080(19) 0.1475(10) -0.0218(13) 0.030(2) Uani 1 1 d .
H3A H 0.6300 0.1457 -0.0234 0.036 Uiso 1 1 calc R
O3 O 1.1365(16) 0.4352(7) 0.4737(11) 0.038(3) Uani 1 1 d .
W3 W 1.31396(7) -0.12049(4) 0.33486(5) 0.0222(3) Uani 1 1 d .
O4 O 1.1155(16) 0.3468(7) 0.3910(10) 0.038(3) Uani 1 1 d .
N4 N 1.089(2) 0.4143(8) 0.2447(14) 0.035(4) Uani 1 1 d .
C4 C 0.785(2) 0.2020(14) 0.0256(19) 0.055(7) Uani 1 1 d .
H4A H 0.7583 0.2409 0.0435 0.066 Uiso 1 1 calc R
O5 O 1.1144(15) 0.2199(7) 0.3157(10) 0.036(2) Uani 1 1 d D
C5 C 0.9100(19) 0.1904(9) 0.0430(12) 0.027(4) Uani 1 1 d .
C6 C 1.011(2) 0.2381(11) 0.1085(14) 0.034(5) Uani 1 1 d .
O6 O 1.422(2) -0.0983(10) 0.2820(19) 0.080(8) Uani 1 1 d .
W4 W 1.76880(6) -0.07971(4) 0.51087(5) 0.0229(3) Uani 1 1 d .
C7 C 1.2262(19) 0.2536(10) 0.1702(12) 0.029(4) Uani 1 1 d U
O7 O 1.642(3) 0.0537(12) 0.3498(17) 0.130(14) Uani 1 1 d .
W5 W 1.72153(7) 0.09604(4) 0.46434(5) 0.0233(3) Uani 1 1 d .
O8 O 1.810(2) 0.0121(10) 0.5090(15) 0.073(6) Uani 1 1 d U
C8 C 1.3377(19) 0.2191(11) 0.1648(15) 0.034(2) Uani 1 1 d U
O9 O 1.2300(17) -0.0385(10) 0.2841(14) 0.055(5) Uani 1 1 d U
C9 C 1.4519(19) 0.2456(11) 0.2160(15) 0.034(2) Uani 1 1 d .
H9A H 1.4642 0.2860 0.2485 0.041 Uiso 1 1 calc R
O10 O 1.8220(17) -0.0687(10) 0.6409(13) 0.054(5) Uani 1 1 d U
C10 C 1.553(2) 0.2066(11) 0.2162(15) 0.034(2) Uani 1 1 d .
H10A H 1.6347 0.2185 0.2539 0.041 Uiso 1 1 calc R
W6 W 1.53560(8) -0.02326(4) 0.29937(5) 0.0276(3) Uani 1 1 d .
O11 O 1.3897(17) 0.0312(10) 0.2497(16) 0.062(5) Uani 1 1 d U
C11 C 1.524(2) 0.1513(14) 0.1591(18) 0.049(6) Uani 1 1 d U
H11A H 1.5879 0.1277 0.1546 0.059 Uiso 1 1 calc R
O12 O 1.6739(16) -0.1576(12) 0.5122(11) 0.062(6) Uani 1 1 d .
C12 C 1.4070(19) 0.1307(11) 0.1098(15) 0.034(2) Uani 1 1 d .
H12A H 1.3915 0.0913 0.0750 0.041 Uiso 1 1 calc R
O13 O 1.4366(14) -0.1748(9) 0.4237(10) 0.042(4) Uani 1 1 d U
C13 C 1.1159(19) 0.4516(9) 0.3212(14) 0.029(4) Uani 1 1 d U
O14 O 1.7628(15) 0.1176(9) 0.5867(10) 0.042(4) Uani 1 1 d .
C14 C 1.0850(19) 0.4441(10) 0.1752(12) 0.027(2) Uani 1 1 d .
H14A H 1.0771 0.4182 0.1253 0.032 Uiso 1 1 calc R
O15 O 1.3515(14) 0.1359(9) 0.3383(11) 0.044(4) Uani 1 1 d .
C15 C 1.0918(19) 0.5146(10) 0.1706(12) 0.027(2) Uani 1 1 d .
H15A H 1.0855 0.5351 0.1174 0.032 Uiso 1 1 calc R
O16 O 1.5900(15) 0.1581(10) 0.4252(10) 0.048(4) Uani 1 1 d U
C16 C 1.1079(19) 0.5544(10) 0.2457(12) 0.027(2) Uani 1 1 d .
H16A H 1.1065 0.6015 0.2410 0.032 Uiso 1 1 calc R
O17 O 1.4245(14) 0.2591(7) 0.4265(9) 0.034(3) Uani 1 1 d .
C17 C 1.1265(19) 0.5235(11) 0.3292(15) 0.034(5) Uani 1 1 d U
H17A H 1.1435 0.5474 0.3827 0.041 Uiso 1 1 calc R
O18 O 1.2187(16) -0.1739(8) 0.2495(10) 0.046(4) Uani 1 1 d .
C18 C 1.1260(16) 0.4104(8) 0.4025(11) 0.017(3) Uani 1 1 d U
O19 O 1.8964(13) -0.1195(8) 0.5177(12) 0.042(4) Uani 1 1 d .
O20 O 1.1532(14) 0.0771(9) 0.1856(10) 0.045(4) Uani 1 1 d .
O21 O 1.8274(13) 0.1416(9) 0.4504(12) 0.043(4) Uani 1 1 d .
O22 O 1.5540(16) -0.0335(7) 0.2041(9) 0.037(3) Uani 1 1 d U
O23 O 1.670(2) -0.0806(9) 0.3792(15) 0.088(9) Uani 1 1 d .
O24 O 1.603(3) 0.0001(13) 0.4600(17) 0.034(3) Uani 0.50 1 d PU
O27 O 1.560(2) 0.0719(12) 0.5158(15) 0.018(5) Uani 0.50 1 d PU
O26 O 1.573(3) 0.0166(14) 0.6034(18) 0.034(3) Uani 0.50 1 d P
O25 O 1.602(2) -0.0577(11) 0.5547(17) 0.016(5) Uani 0.50 1 d PU
H3 H 0.889(17) 0.185(5) 0.307(8) 0.024 Uiso 1 1 d D
H4 H 0.886(15) 0.253(4) 0.321(10) 0.024 Uiso 1 1 d D
H1 H 1.082(13) 0.205(2) 0.348(9) 0.024 Uiso 1 1 d D
H2 H 1.106(17) 0.191(6) 0.275(9) 0.024 Uiso 1 1 d 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'
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'
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
O17 W1 O15 101.4(7) . .
O17 W1 O13 103.4(7) . 3_856
O15 W1 O13 155.1(8) . 3_856
O17 W1 O12 98.6(9) . 3_856
O15 W1 O12 88.7(7) . 3_856
O13 W1 O12 86.3(7) 3_856 3_856
O17 W1 O16 102.6(8) . .
O15 W1 O16 87.3(7) . .
O13 W1 O16 88.7(6) 3_856 .
O12 W1 O16 158.8(9) 3_856 .
O17 W1 O27 160.8(8) . .
O15 W1 O27 93.8(8) . .
O13 W1 O27 62.3(8) 3_856 .
O12 W1 O27 93.3(9) 3_856 .
O16 W1 O27 66.3(8) . .
O17 W1 O25 155.4(7) . 3_856
O15 W1 O25 60.9(8) . 3_856
O13 W1 O25 95.0(8) 3_856 3_856
O12 W1 O25 66.0(8) 3_856 3_856
O16 W1 O25 93.9(8) . 3_856
O27 W1 O25 43.7(8) . 3_856
N2 Cu1 N3 83.1(7) . .
N2 Cu1 O3 171.0(6) . 4_565
N3 Cu1 O3 98.3(7) . 4_565
N2 Cu1 N1 81.3(7) . .
N3 Cu1 N1 164.3(7) . .
O3 Cu1 N1 97.0(7) 4_565 .
N2 Cu1 O20 89.7(7) . .
N3 Cu1 O20 92.2(5) . .
O3 Cu1 O20 99.1(6) 4_565 .
N1 Cu1 O20 88.9(6) . .
O26 Si1 O26 180.000(6) 3_856 .
O26 Si1 O27 68.6(13) 3_856 3_856
O26 Si1 O27 111.4(13) . 3_856
O26 Si1 O27 111.4(13) 3_856 .
O26 Si1 O27 68.6(13) . .
O27 Si1 O27 180.0(8) 3_856 .
O26 Si1 O25 111.7(13) 3_856 .
O26 Si1 O25 68.3(13) . .
O27 Si1 O25 68.3(12) 3_856 .
O27 Si1 O25 111.7(12) . .
O26 Si1 O25 68.3(13) 3_856 3_856
O26 Si1 O25 111.7(13) . 3_856
O27 Si1 O25 111.7(12) 3_856 3_856
O27 Si1 O25 68.3(12) . 3_856
O25 Si1 O25 180.000(4) . 3_856
O26 Si1 O24 73.9(16) 3_856 .
O26 Si1 O24 106.1(16) . .
O27 Si1 O24 108.2(12) 3_856 .
O27 Si1 O24 71.8(12) . .
O25 Si1 O24 72.5(12) . .
O25 Si1 O24 107.5(12) 3_856 .
O26 Si1 O24 106.1(16) 3_856 3_856
O26 Si1 O24 73.9(16) . 3_856
O27 Si1 O24 71.8(12) 3_856 3_856
O27 Si1 O24 108.2(12) . 3_856
O25 Si1 O24 107.5(12) . 3_856
O25 Si1 O24 72.5(12) 3_856 3_856
O24 Si1 O24 180.000(5) . 3_856
C6 O1 Cu2 123.1(14) . .
C5 N1 C1 120.1(18) . .
C5 N1 Cu1 110.4(14) . .
C1 N1 Cu1 129.3(15) . .
N1 C1 C2 126(2) . .
N1 C1 H1A 116.9 . .
C2 C1 H1A 116.9 . .
H3 O1W H4 108.9(19) . .
O20 W2 O9 99.8(9) . .
O20 W2 O15 104.5(8) . .
O9 W2 O15 155.7(9) . .
O20 W2 O10 99.4(8) . 3_856
O9 W2 O10 89.4(7) . 3_856
O15 W2 O10 87.4(7) . 3_856
O20 W2 O11 98.0(9) . .
O9 W2 O11 87.3(7) . .
O15 W2 O11 88.6(7) . .
O10 W2 O11 162.7(9) 3_856 .
O20 W2 O25 159.9(8) . 3_856
O9 W2 O25 95.2(8) . 3_856
O15 W2 O25 61.3(8) . 3_856
O10 W2 O25 67.5(8) 3_856 3_856
O11 W2 O25 95.9(9) . 3_856
O20 W2 O26 156.4(9) . 3_856
O9 W2 O26 63.3(9) . 3_856
O15 W2 O26 93.2(9) . 3_856
O10 W2 O26 96.8(10) 3_856 3_856
O11 W2 O26 66.5(10) . 3_856
O25 W2 O26 43.6(8) 3_856 3_856
O1 Cu2 N4 99.6(8) . .
O1 Cu2 O4 142.1(7) . .
N4 Cu2 O4 84.3(7) . .
O1 Cu2 O5 85.6(7) . .
N4 Cu2 O5 172.8(6) . .
O4 Cu2 O5 88.6(6) . .
O1 Cu2 O2 87.2(6) . .
N4 Cu2 O2 94.1(6) . .
O4 Cu2 O2 130.4(7) . .
O5 Cu2 O2 91.1(5) . .
O1 Cu2 H1 90(3) . .
N4 Cu2 H1 158.3(10) . .
O4 Cu2 H1 77(2) . .
O5 Cu2 H1 15.3(5) . .
O2 Cu2 H1 106.1(11) . .
C7 O2 Cu2 118.0(14) . .
C6 N2 C7 120.8(19) . .
C6 N2 Cu1 120.2(16) . .
C7 N2 Cu1 116.3(13) . .
C1 C2 C3 111.9(19) . .
C1 C2 H2A 124.0 . .
C3 C2 H2A 124.0 . .
C8 N3 C12 116.5(17) . .
C8 N3 Cu1 114.3(13) . .
C12 N3 Cu1 128.4(13) . .
C2 C3 C4 125(2) . .
C2 C3 H3A 117.3 . .
C4 C3 H3A 117.3 . .
C18 O3 Cu1 106.6(12) . 4_566
O18 W3 O13 106.6(8) . .
O18 W3 O9 97.9(9) . .
O13 W3 O9 155.4(9) . .
O18 W3 O14 102.5(8) . 3_856
O13 W3 O14 87.1(6) . 3_856
O9 W3 O14 86.7(6) . 3_856
O18 W3 O6 96.7(11) . .
O13 W3 O6 91.1(8) . .
O9 W3 O6 87.0(7) . .
O14 W3 O6 160.4(10) 3_856 .
O18 W3 O26 155.2(8) . 3_856
O13 W3 O26 93.4(9) . 3_856
O9 W3 O26 63.3(9) . 3_856
O14 W3 O26 92.9(10) 3_856 3_856
O6 W3 O26 67.8(11) . 3_856
O18 W3 O27 162.3(8) . 3_856
O13 W3 O27 61.6(8) . 3_856
O9 W3 O27 94.2(9) . 3_856
O14 W3 O27 65.3(8) 3_856 3_856
O6 W3 O27 96.8(11) . 3_856
O26 W3 O27 42.4(9) 3_856 3_856
C18 O4 Cu2 113.6(12) . .
C14 N4 C13 118.4(17) . .
C14 N4 Cu2 129.1(14) . .
C13 N4 Cu2 110.8(13) . .
C5 C4 C3 112(2) . .
C5 C4 H4A 124.2 . .
C3 C4 H4A 124.2 . .
Cu2 O5 H1 125(2) . .
Cu2 O5 H2 113(10) . .
H1 O5 H2 109.1(19) . .
N1 C5 C4 123.1(19) . .
N1 C5 C6 118.1(18) . .
C4 C5 C6 118.8(19) . .
N2 C6 O1 132(2) . .
N2 C6 C5 108.9(19) . .
O1 C6 C5 119.1(18) . .
W3 O6 W6 133.3(14) . .
O19 W4 O8 101.9(10) . .
O19 W4 O12 99.2(8) . .
O8 W4 O12 158.9(10) . .
O19 W4 O23 98.9(11) . .
O8 W4 O23 91.4(9) . .
O12 W4 O23 86.3(8) . .
O19 W4 O10 98.0(8) . .
O8 W4 O10 87.2(9) . .
O12 W4 O10 88.9(7) . .
O23 W4 O10 163.0(11) . .
O19 W4 O24 158.2(10) . .
O8 W4 O24 63.1(11) . .
O12 W4 O24 96.9(10) . .
O23 W4 O24 67.5(10) . .
O10 W4 O24 96.9(9) . .
O19 W4 O25 154.9(8) . .
O8 W4 O25 95.4(10) . .
O12 W4 O25 64.3(8) . .
O23 W4 O25 98.7(10) . .
O10 W4 O25 64.6(8) . .
O24 W4 O25 46.9(10) . .
O2 C7 N2 130(2) . .
O2 C7 C8 120.0(18) . .
N2 C7 C8 110.2(17) . .
W5 O7 W6 136(2) . .
O21 W5 O7 100.5(13) . .
O21 W5 O14 100.0(8) . .
O7 W5 O14 159.4(13) . .
O21 W5 O16 100.8(8) . .
O7 W5 O16 88.7(11) . .
O14 W5 O16 89.6(6) . .
O21 W5 O8 100.7(10) . .
O7 W5 O8 86.7(11) . .
O14 W5 O8 87.4(8) . .
O16 W5 O8 158.5(10) . .
O21 W5 O24 157.8(9) . .
O7 W5 O24 65.3(12) . .
O14 W5 O24 94.6(9) . .
O16 W5 O24 95.9(10) . .
O8 W5 O24 63.1(11) . .
O21 W5 O27 156.6(8) . .
O7 W5 O27 97.3(14) . .
O14 W5 O27 63.7(7) . .
O16 W5 O27 64.4(8) . .
O8 W5 O27 95.4(10) . .
O24 W5 O27 45.5(9) . .
W4 O8 W5 136.5(15) . .
N3 C8 C9 127(2) . .
N3 C8 C7 115.1(17) . .
C9 C8 C7 117.7(19) . .
W2 O9 W3 139.3(11) . .
C8 C9 C10 115(2) . .
C8 C9 H9A 122.6 . .
C10 C9 H9A 122.6 . .
W2 O10 W4 133.7(10) 3_856 .
C11 C10 C9 118(2) . .
C11 C10 H10A 121.0 . .
C9 C10 H10A 121.0 . .
O22 W6 O11 98.9(8) . .
O22 W6 O7 98.6(13) . .
O11 W6 O7 92.9(11) . .
O22 W6 O23 97.7(10) . .
O11 W6 O23 162.9(11) . .
O7 W6 O23 88.5(10) . .
O22 W6 O6 98.8(9) . .
O11 W6 O6 84.9(8) . .
O7 W6 O6 162.6(14) . .
O23 W6 O6 88.6(9) . .
O22 W6 O24 155.3(10) . .
O11 W6 O24 98.6(10) . .
O7 W6 O24 63.3(12) . .
O23 W6 O24 66.9(10) . .
O6 W6 O24 99.9(11) . .
O22 W6 O26 158.4(9) . 3_856
O11 W6 O26 65.8(9) . 3_856
O7 W6 O26 97.3(14) . 3_856
O23 W6 O26 97.1(11) . 3_856
O6 W6 O26 66.0(9) . 3_856
O24 W6 O26 46.2(11) . 3_856
W6 O11 W2 134.9(12) . .
C12 C11 C10 122(2) . .
C12 C11 H11A 119.2 . .
C10 C11 H11A 119.2 . .
W1 O12 W4 135.7(11) 3_856 .
C11 C12 N3 121(2) . .
C11 C12 H12A 119.3 . .
N3 C12 H12A 119.3 . .
W3 O13 W1 140.9(9) . 3_856
N4 C13 C17 126.6(18) . .
N4 C13 C18 114.2(15) . .
C17 C13 C18 119.0(18) . .
W5 O14 W3 138.8(10) . 3_856
N4 C14 C15 122.2(18) . .
N4 C14 H14A 118.9 . .
C15 C14 H14A 118.9 . .
W1 O15 W2 140.8(10) . .
C14 C15 C16 120.0(17) . .
C14 C15 H15A 120.0 . .
C16 C15 H15A 120.0 . .
W5 O16 W1 136.4(10) . .
C15 C16 C17 120.4(18) . .
C15 C16 H16A 119.8 . .
C17 C16 H16A 119.8 . .
C16 C17 C13 111.7(19) . .
C16 C17 H17A 124.1 . .
C13 C17 H17A 124.1 . .
O3 C18 O4 120.1(16) . .
O3 C18 C13 123.9(16) . .
O4 C18 C13 115.9(15) . .
W2 O20 Cu1 139.3(8) . .
W6 O23 W4 131.1(14) . .
Si1 O24 W5 123.2(14) . .
Si1 O24 W4 121.8(14) . .
W5 O24 W4 96.6(12) . .
Si1 O24 W6 119.2(15) . .
W5 O24 W6 95.0(11) . .
W4 O24 W6 94.1(10) . .
Si1 O27 O26 55.5(12) . .
Si1 O27 O25 57.4(11) . 3_856
O26 O27 O25 95.7(18) . 3_856
Si1 O27 W1 125.7(12) . .
O26 O27 W1 136.3(16) . .
O25 O27 W1 68.3(10) 3_856 .
Si1 O27 W3 124.2(13) . 3_856
O26 O27 W3 68.7(12) . 3_856
O25 O27 W3 136.2(14) 3_856 3_856
W1 O27 W3 94.5(8) . 3_856
Si1 O27 W5 119.5(11) . .
O26 O27 W5 126.9(16) . .
O25 O27 W5 127.2(14) 3_856 .
W1 O27 W5 92.2(9) . .
W3 O27 W5 91.9(8) 3_856 .
Si1 O26 O27 55.9(12) . .
Si1 O26 O25 57.6(12) . .
O27 O26 O25 96.2(18) . .
Si1 O26 W3 124.8(15) . 3_856
O27 O26 W3 68.9(12) . 3_856
O25 O26 W3 134(2) . 3_856
Si1 O26 W2 123.7(15) . 3_856
O27 O26 W2 135(2) . 3_856
O25 O26 W2 66.1(12) . 3_856
W3 O26 W2 93.5(10) 3_856 3_856
Si1 O26 W6 120.7(18) . 3_856
O27 O26 W6 128.0(17) . 3_856
O25 O26 W6 126.8(17) . 3_856
W3 O26 W6 92.9(9) 3_856 3_856
W2 O26 W6 92.7(9) 3_856 3_856
Si1 O25 O26 54.1(11) . .
Si1 O25 O27 54.3(10) . 3_856
O26 O25 O27 92.3(16) . 3_856
Si1 O25 W2 124.3(11) . 3_856
O26 O25 W2 70.3(11) . 3_856
O27 O25 W2 136.6(14) 3_856 3_856
Si1 O25 W1 122.2(11) . 3_856
O26 O25 W1 135.2(16) . 3_856
O27 O25 W1 67.9(10) 3_856 3_856
W2 O25 W1 96.4(9) 3_856 3_856
Si1 O25 W4 118.7(12) . .
O26 O25 W4 128.9(16) . .
O27 O25 W4 125.7(13) 3_856 .
W2 O25 W4 94.2(8) 3_856 .
W1 O25 W4 93.6(7) 3_856 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O17 1.696(13) .
W1 O15 1.859(14) .
W1 O13 1.872(15) 3_856
W1 O12 1.904(14) 3_856
W1 O16 1.918(15) .
W1 O27 2.39(2) .
W1 O25 2.39(2) 3_856
Cu1 N2 1.909(17) .
Cu1 N3 1.998(16) .
Cu1 O3 1.990(15) 4_565
Cu1 N1 2.029(17) .
Cu1 O20 2.441(14) .
Si1 O26 1.55(3) 3_856
Si1 O26 1.55(3) .
Si1 O27 1.56(2) 3_856
Si1 O27 1.56(2) .
Si1 O25 1.61(2) .
Si1 O25 1.61(2) 3_856
Si1 O24 1.64(3) .
Si1 O24 1.64(3) 3_856
O1 C6 1.28(2) .
O1 Cu2 1.943(16) .
N1 C5 1.31(3) .
N1 C1 1.32(3) .
C1 C2 1.34(3) .
C1 H1A 0.9300 .
O1W H3 0.840(10) .
O1W H4 0.842(11) .
W2 O20 1.655(14) .
W2 O9 1.87(2) .
W2 O15 1.897(15) .
W2 O10 1.903(17) 3_856
W2 O11 1.932(18) .
W2 O25 2.35(2) 3_856
W2 O26 2.42(3) 3_856
Cu2 N4 1.952(16) .
Cu2 O4 1.960(13) .
Cu2 O5 2.024(15) .
Cu2 O2 2.166(13) .
Cu2 H1 2.600(10) .
O2 C7 1.26(2) .
N2 C6 1.28(3) .
N2 C7 1.40(3) .
C2 C3 1.42(3) .
C2 H2A 0.9300 .
N3 C8 1.32(3) .
N3 C12 1.37(3) .
C3 C4 1.40(3) .
C3 H3A 0.9300 .
O3 C18 1.21(2) .
O3 Cu1 1.990(15) 4_566
W3 O18 1.711(13) .
W3 O13 1.871(15) .
W3 O9 1.887(19) .
W3 O14 1.890(14) 3_856
W3 O6 1.911(17) .
W3 O26 2.41(3) 3_856
W3 O27 2.42(2) 3_856
O4 C18 1.26(2) .
N4 C14 1.26(2) .
N4 C13 1.36(3) .
C4 C5 1.42(3) .
C4 H4A 0.9300 .
O5 H1 0.841(10) .
O5 H2 0.841(10) .
C5 C6 1.53(3) .
O6 W6 1.95(2) .
W4 O19 1.685(15) .
W4 O8 1.88(2) .
W4 O12 1.920(18) .
W4 O23 1.93(2) .
W4 O10 1.935(18) .
W4 O24 2.38(3) .
W4 O25 2.46(2) .
C7 C8 1.54(3) .
O7 W5 1.87(2) .
O7 W6 1.92(2) .
W5 O21 1.658(14) .
W5 O14 1.878(15) .
W5 O16 1.872(17) .
W5 O8 1.92(2) .
W5 O24 2.35(3) .
W5 O27 2.49(2) .
C8 C9 1.35(3) .
C9 C10 1.43(3) .
C9 H9A 0.9300 .
O10 W2 1.903(17) 3_856
C10 C11 1.37(3) .
C10 H10A 0.9300 .
W6 O22 1.681(14) .
W6 O11 1.902(19) .
W6 O23 1.92(2) .
W6 O24 2.42(3) .
W6 O26 2.47(3) 3_856
C11 C12 1.34(3) .
C11 H11A 0.9300 .
O12 W1 1.904(14) 3_856
C12 H12A 0.9300 .
O13 W1 1.872(15) 3_856
C13 C17 1.42(3) .
C13 C18 1.51(2) .
O14 W3 1.890(14) 3_856
C14 C15 1.39(3) .
C14 H14A 0.9300 .
C15 C16 1.39(3) .
C15 H15A 0.9300 .
C16 C17 1.42(3) .
C16 H16A 0.9300 .
C17 H17A 0.9300 .
O27 O26 1.75(4) .
O27 O25 1.78(3) 3_856
O27 W3 2.42(2) 3_856
O26 O25 1.77(3) .
O26 W3 2.41(3) 3_856
O26 W2 2.42(3) 3_856
O26 W6 2.47(3) 3_856
O25 O27 1.78(3) 3_856
O25 W2 2.35(2) 3_856
O25 W1 2.39(2) 3_856
