#------------------------------------------------------------------------------
#$Date: 2019-11-07 21:24:05 +0200 (Thu, 07 Nov 2019) $
#$Revision: 223498 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/34/7233454.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_7233454
loop_
_publ_author_name
'Sun, Xiaojuan'
'Zhang, Jie'
'Yuan, Xianzhi'
'Fu, Zhiyong'
_publ_section_title
;
 A silicotungstate-based copper--viologen hybrid photocatalytic compound
 for efficient degradation of organic dyes under visible light
;
_journal_issue                   37
_journal_name_full               CrystEngComm
_journal_page_first              5563
_journal_paper_doi               10.1039/C9CE01075K
_journal_volume                  21
_journal_year                    2019
_chemical_formula_sum            'C30 H24 Cu2 N6 O40 Si W12'
_chemical_formula_weight         3469.92
_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
;
2019-04-26 deposited with the CCDC.    2019-08-26 downloaded from the CCDC.
;
_cell_angle_alpha                95.65(3)
_cell_angle_beta                 114.28(3)
_cell_angle_gamma                111.22(3)
_cell_formula_units_Z            1
_cell_length_a                   11.710(2)
_cell_length_b                   11.890(2)
_cell_length_c                   12.710(3)
_cell_measurement_reflns_used    7598
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.46
_cell_measurement_theta_min      3.02
_cell_volume                     1438.7(8)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.962
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_device_type  'Rigaku R-AXIS SPIDER CCD'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1469
_diffrn_reflns_av_unetI/netI     0.2155
_diffrn_reflns_Laue_measured_fraction_full 0.962
_diffrn_reflns_Laue_measured_fraction_max 0.962
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            10810
_diffrn_reflns_point_group_measured_fraction_full 0.962
_diffrn_reflns_point_group_measured_fraction_max 0.962
_diffrn_reflns_theta_full        25.023
_diffrn_reflns_theta_max         25.023
_diffrn_reflns_theta_min         3.020
_exptl_absorpt_coefficient_mu    24.721
_exptl_crystal_colour            dark-orange
_exptl_crystal_density_diffrn    4.005
_exptl_crystal_description       block
_exptl_crystal_F_000             1526
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         3.836
_refine_diff_density_min         -5.026
_refine_diff_density_rms         0.643
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     305
_refine_ls_number_reflns         4885
_refine_ls_number_restraints     133
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.1169
_refine_ls_R_factor_gt           0.0992
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1208P)²+3.1141P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2369
_refine_ls_wR_factor_ref         0.2560
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3733
_reflns_number_total             4885
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9ce01075k2.cif
_cod_data_source_block           1
_cod_depositor_comments          'Adding full bibliography for 7233454.cif.'
_cod_original_cell_volume        1438.7(6)
_cod_database_code               7233454
_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.
;
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
_atom_site_refinement_flags_occupancy
W1 W 0.86032(9) 0.20234(9) 0.63099(10) 0.0352(3) Uani 1 1 d . . .
W2 W 0.63244(9) 0.17529(9) 0.33372(9) 0.0328(3) Uani 1 1 d . . .
W3 W 0.70830(9) -0.08006(9) 0.40162(8) 0.0309(3) Uani 1 1 d . . .
W4 W 0.57524(10) -0.25543(9) 0.56696(10) 0.0372(3) Uani 1 1 d . . .
W5 W 0.34818(12) -0.28037(10) 0.26792(10) 0.0422(4) Uani 1 1 d . . .
W6 W 0.27197(11) -0.02708(12) 0.20223(9) 0.0415(4) Uani 1 1 d . . .
Cu1 Cu 1.2056(4) 0.3496(5) 0.6266(4) 0.100(2) Uani 1 1 d . . .
Si1 Si 0.5000 0.0000 0.5000 0.0210(17) Uani 1 2 d S . P
O1 O 1.0312(18) 0.2994(19) 0.695(2) 0.062(6) Uani 1 1 d . . .
O2 O 0.818(3) 0.317(3) 0.712(2) 0.080(3) Uani 1 1 d . U .
O3 O 0.850(3) 0.108(3) 0.746(3) 0.111(12) Uani 1 1 d . . .
O4 O 0.851(2) 0.058(2) 0.5404(17) 0.065(6) Uani 1 1 d . U .
O5 O 0.791(3) 0.249(2) 0.492(2) 0.078(7) Uani 1 1 d . . .
O6 O 0.692(2) 0.248(2) 0.2551(18) 0.058(2) Uani 1 1 d . . .
O7 O 0.562(3) 0.282(3) 0.382(2) 0.080(3) Uani 1 1 d . . .
O8 O 0.682(2) 0.0419(18) 0.3189(16) 0.056(5) Uani 1 1 d . U .
O9 O 0.448(2) 0.066(2) 0.207(2) 0.068(6) Uani 1 1 d . U .
O10 O 0.803(2) -0.123(2) 0.3499(17) 0.058(2) Uani 1 1 d . . .
O11 O 0.5277(19) -0.201(2) 0.2808(17) 0.059(5) Uani 1 1 d . U .
O12 O 0.696(2) -0.185(2) 0.5012(18) 0.067(6) Uani 1 1 d . U .
O13 O 0.615(2) -0.369(2) 0.6025(18) 0.058(2) Uani 1 1 d . . .
O14 O 0.430(3) -0.336(3) 0.408(2) 0.080(3) Uani 1 1 d . . .
O15 O 0.284(2) -0.414(2) 0.1595(18) 0.058(2) Uani 1 1 d . . .
O16 O 0.296(3) -0.174(3) 0.176(2) 0.080(3) Uani 1 1 d . . .
O17 O 0.167(2) -0.042(2) 0.0581(18) 0.058(2) Uani 1 1 d . . .
O18 O 0.295(3) 0.126(2) 0.296(2) 0.080(3) Uani 1 1 d . U .
O19 O 0.480(3) 0.088(3) 0.399(2) 0.029(7) Uani 0.5 1 d . U P
O20 O 0.537(3) -0.094(3) 0.451(2) 0.024(6) Uani 0.5 1 d . U P
O21 O 0.626(3) 0.052(3) 0.478(2) 0.025(6) Uani 0.5 1 d . U P
O22 O 0.358(3) -0.106(3) 0.371(3) 0.034(7) Uiso 0.5 1 d . . P
C1 C 0.3406(12) -0.4828(13) -0.1360(15) 0.055(8) Uani 1 1 d G U .
H1A H 0.2543 -0.5210 -0.1386 0.066 Uiso 1 1 calc R U .
C2 C 0.4463(15) -0.3731(14) -0.0447(13) 0.047(6) Uani 1 1 d G U .
H2A H 0.4307 -0.3378 0.0137 0.057 Uiso 1 1 calc R U .
C3 C 0.5752(13) -0.3160(11) -0.0407(13) 0.031(5) Uani 1 1 d DG U .
C4 C 0.5985(11) -0.3686(13) -0.1279(14) 0.048(7) Uani 1 1 d G U .
H4A H 0.6848 -0.3304 -0.1253 0.058 Uiso 1 1 calc R U .
C5 C 0.4928(15) -0.4783(14) -0.2192(12) 0.048(7) Uani 1 1 d G U .
H5A H 0.5084 -0.5136 -0.2776 0.058 Uiso 1 1 calc R U .
N1 N 0.3638(12) -0.5354(11) -0.2232(13) 0.054(7) Uani 1 1 d G . .
C6 C 0.6739(14) -0.1920(10) 0.0341(13) 0.057(8) Uani 1 1 d DG . .
C7 C 0.6272(10) -0.1014(14) 0.0443(14) 0.044(6) Uani 1 1 d G U .
H7A H 0.5327 -0.1221 0.0005 0.053 Uiso 1 1 calc R U .
C8 C 0.7219(14) 0.0202(12) 0.1199(14) 0.051(3) Uani 1 1 d G U .
H8A H 0.6907 0.0808 0.1267 0.061 Uiso 1 1 calc R U .
N2 N 0.8632(13) 0.0512(10) 0.1852(11) 0.030(4) Uani 1 1 d G U .
C10 C 0.9099(11) -0.0394(14) 0.1750(13) 0.051(3) Uani 1 1 d G . .
H10A H 1.0044 -0.0187 0.2188 0.061 Uiso 1 1 calc R U .
C9 C 0.8152(16) -0.1610(12) 0.0994(15) 0.040(6) Uani 1 1 d G U .
H9A H 0.8464 -0.2216 0.0926 0.047 Uiso 1 1 calc R U .
C11 C 1.0269(17) 0.1995(13) 0.3859(13) 0.051(3) Uani 1 1 d G . .
H11A H 1.0135 0.1331 0.4197 0.061 Uiso 1 1 calc R U .
N3 N 1.1108(16) 0.3230(15) 0.4601(10) 0.051(6) Uani 1 1 d G . .
C13 C 1.1309(18) 0.4223(12) 0.4096(13) 0.051(3) Uani 1 1 d G U .
H13A H 1.1871 0.5049 0.4592 0.061 Uiso 1 1 calc R U .
C14 C 1.067(2) 0.3981(14) 0.2850(14) 0.051(3) Uani 1 1 d G U .
H14A H 1.0804 0.4645 0.2512 0.061 Uiso 1 1 calc R U .
C15 C 0.9831(19) 0.2746(17) 0.2108(10) 0.051(3) Uani 1 1 d G U .
H15A H 0.9403 0.2583 0.1274 0.061 Uiso 1 1 calc R U .
C12 C 0.9630(18) 0.1753(13) 0.2612(13) 0.051(3) Uani 1 1 d G U .
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
O1 W1 O5 101.0(11) . .
O1 W1 O4 100.5(10) . .
O5 W1 O4 90.1(9) . .
O1 W1 O3 103.0(12) . .
O5 W1 O3 156.0(13) . .
O4 W1 O3 86.1(11) . .
O1 W1 O2 94.7(11) . .
O5 W1 O2 89.9(10) . .
O4 W1 O2 164.5(11) . .
O3 W1 O2 87.7(11) . .
O1 W1 O22 154.4(11) . 2_656
O5 W1 O22 95.2(11) . 2_656
O4 W1 O22 99.1(11) . 2_656
O3 W1 O22 62.2(11) . 2_656
O2 W1 O22 65.5(11) . 2_656
O1 W1 O21 159.7(11) . .
O5 W1 O21 65.6(11) . .
O4 W1 O21 65.7(9) . .
O3 W1 O21 91.3(13) . .
O2 W1 O21 100.3(10) . .
O22 W1 O21 45.9(10) 2_656 .
O6 W2 O9 98.2(10) . .
O6 W2 O8 97.4(10) . .
O9 W2 O8 88.6(8) . .
O6 W2 O5 102.4(11) . .
O9 W2 O5 159.4(12) . .
O8 W2 O5 87.0(8) . .
O6 W2 O7 101.7(11) . .
O9 W2 O7 89.7(10) . .
O8 W2 O7 160.9(11) . .
O5 W2 O7 87.9(10) . .
O6 W2 O19 157.9(9) . .
O9 W2 O19 66.5(10) . .
O8 W2 O19 98.0(10) . .
O5 W2 O19 94.1(11) . .
O7 W2 O19 64.0(11) . .
O6 W2 O21 156.7(10) . .
O9 W2 O21 95.9(10) . .
O8 W2 O21 64.5(9) . .
O5 W2 O21 64.1(10) . .
O7 W2 O21 96.8(11) . .
O19 W2 O21 45.2(9) . .
O10 W3 O12 99.2(11) . .
O10 W3 O11 98.2(10) . .
O12 W3 O11 88.1(9) . .
O10 W3 O4 101.7(10) . .
O12 W3 O4 89.6(9) . .
O11 W3 O4 160.1(10) . .
O10 W3 O8 100.5(10) . .
O12 W3 O8 160.3(10) . .
O11 W3 O8 88.5(8) . .
O4 W3 O8 87.0(8) . .
O10 W3 O20 160.5(11) . .
O12 W3 O20 68.8(10) . .
O11 W3 O20 67.0(9) . .
O4 W3 O20 93.8(10) . .
O8 W3 O20 92.1(9) . .
O10 W3 O21 160.3(11) . .
O12 W3 O21 96.0(10) . .
O11 W3 O21 94.8(10) . .
O4 W3 O21 65.8(9) . .
O8 W3 O21 65.0(9) . .
O20 W3 O21 39.1(10) . .
O13 W4 O14 101.6(10) . .
O13 W4 O7 99.2(11) . 2_656
O14 W4 O7 88.6(11) . 2_656
O13 W4 O18 100.6(11) . 2_656
O14 W4 O18 157.7(11) . 2_656
O7 W4 O18 90.4(12) 2_656 2_656
O13 W4 O12 100.2(10) . .
O14 W4 O12 87.2(11) . .
O7 W4 O12 160.6(10) 2_656 .
O18 W4 O12 86.4(11) 2_656 .
O13 W4 O19 153.7(10) . 2_656
O14 W4 O19 96.1(10) . 2_656
O7 W4 O19 61.7(11) 2_656 2_656
O18 W4 O19 64.1(10) 2_656 2_656
O12 W4 O19 99.9(11) . 2_656
O15 W5 O11 98.2(10) . .
O15 W5 O16 101.8(10) . .
O11 W5 O16 88.2(10) . .
O15 W5 O2 98.2(10) . 2_656
O11 W5 O2 163.6(10) . 2_656
O16 W5 O2 87.4(11) . 2_656
O15 W5 O14 98.3(10) . .
O11 W5 O14 88.4(10) . .
O16 W5 O14 159.8(10) . .
O2 W5 O14 90.4(11) 2_656 .
O15 W5 O22 159.3(10) . .
O11 W5 O22 96.6(11) . .
O16 W5 O22 64.3(11) . .
O2 W5 O22 67.2(11) 2_656 .
O14 W5 O22 96.4(10) . .
O15 W5 O20 155.5(9) . .
O11 W5 O20 61.8(9) . .
O16 W5 O20 92.2(10) . .
O2 W5 O20 102.6(10) 2_656 .
O14 W5 O20 68.8(10) . .
O22 W5 O20 45.0(10) . .
O17 W6 O3 103.3(12) . 2_656
O17 W6 O18 105.0(10) . .
O3 W6 O18 85.2(13) 2_656 .
O17 W6 O16 98.4(10) . .
O3 W6 O16 89.0(12) 2_656 .
O18 W6 O16 156.6(11) . .
O17 W6 O9 97.7(10) . .
O3 W6 O9 158.9(12) 2_656 .
O18 W6 O9 89.7(10) . .
O16 W6 O9 87.6(10) . .
O17 W6 O22 154.1(10) . .
O3 W6 O22 62.7(11) 2_656 .
O18 W6 O22 95.7(11) . .
O16 W6 O22 61.6(11) . .
O9 W6 O22 97.6(10) . .
O17 W6 O19 153.2(11) . .
O3 W6 O19 98.1(14) 2_656 .
O18 W6 O19 60.8(10) . .
O16 W6 O19 97.8(10) . .
O9 W6 O19 61.8(10) . .
O22 W6 O19 52.1(11) . .
N1 Cu1 N3 145(4) 1_666 .
N1 Cu1 O1 97(3) 1_666 .
N3 Cu1 O1 107.0(7) . .
O21 Si1 O21 180.0 . 2_656
O21 Si1 O20 62.9(15) . .
O21 Si1 O20 117.1(15) 2_656 .
O21 Si1 O20 117.1(15) . 2_656
O21 Si1 O20 62.9(15) 2_656 2_656
O20 Si1 O20 180.0(16) . 2_656
O21 Si1 O22 70.7(15) . 2_656
O21 Si1 O22 109.3(15) 2_656 2_656
O20 Si1 O22 109.3(14) . 2_656
O20 Si1 O22 70.7(14) 2_656 2_656
O21 Si1 O22 109.3(15) . .
O21 Si1 O22 70.7(15) 2_656 .
O20 Si1 O22 70.7(14) . .
O20 Si1 O22 109.3(14) 2_656 .
O22 Si1 O22 180.0 2_656 .
O21 Si1 O19 112.6(13) . 2_656
O21 Si1 O19 67.4(13) 2_656 2_656
O20 Si1 O19 75.5(13) . 2_656
O20 Si1 O19 104.5(13) 2_656 2_656
O22 Si1 O19 77.1(15) 2_656 2_656
O22 Si1 O19 102.9(15) . 2_656
O21 Si1 O19 67.4(13) . .
O21 Si1 O19 112.6(13) 2_656 .
O20 Si1 O19 104.5(13) . .
O20 Si1 O19 75.5(13) 2_656 .
O22 Si1 O19 102.9(15) 2_656 .
O22 Si1 O19 77.1(15) . .
O19 Si1 O19 180.0 2_656 .
W1 O1 Cu1 134.7(13) . .
W1 O2 W5 128.7(15) . 2_656
W6 O3 W1 139.9(14) 2_656 .
W1 O4 W3 134.9(12) . .
W1 O5 W2 137.8(15) . .
W4 O7 W2 134.1(16) 2_656 .
W2 O8 W3 137.3(13) . .
W2 O9 W6 133.7(13) . .
W3 O11 W5 136.6(12) . .
W3 O12 W4 136.8(12) . .
W4 O14 W5 135.2(15) . .
W6 O16 W5 136.7(15) . .
W6 O18 W4 140.0(13) . 2_656
Si1 O19 O21 51.2(12) . .
Si1 O19 W2 125.1(14) . .
O21 O19 W2 73.9(14) . .
Si1 O19 W4 119.6(15) . 2_656
O21 O19 W4 136.0(18) . 2_656
W2 O19 W4 100.0(12) . 2_656
Si1 O19 W6 113.8(15) . .
O21 O19 W6 129.2(17) . .
W2 O19 W6 97.7(11) . .
W4 O19 W6 94.7(9) 2_656 .
Si1 O20 O21 59.5(15) . .
Si1 O20 W3 134.4(17) . .
O21 O20 W3 74.9(16) . .
Si1 O20 W5 119.6(13) . .
O21 O20 W5 136.9(15) . .
W3 O20 W5 93.5(10) . .
Si1 O21 O20 57.6(16) . .
Si1 O21 O19 61.4(14) . .
O20 O21 O19 97.3(19) . .
Si1 O21 O22 58.7(14) . 2_656
O20 O21 O22 98(2) . 2_656
O19 O21 O22 93.1(18) . 2_656
Si1 O21 W1 124.3(15) . .
O20 O21 W1 132.8(15) . .
O19 O21 W1 126.0(17) . .
O22 O21 W1 65.6(13) 2_656 .
Si1 O21 W3 123.6(15) . .
O20 O21 W3 66.0(14) . .
O19 O21 W3 130.8(16) . .
O22 O21 W3 133.4(15) 2_656 .
W1 O21 W3 93.1(9) . .
Si1 O21 W2 122.2(12) . .
O20 O21 W2 129.0(15) . .
O19 O21 W2 60.9(13) . .
O22 O21 W2 126.6(16) 2_656 .
W1 O21 W2 91.9(10) . .
W3 O21 W2 93.1(10) . .
Si1 O22 O21 50.6(12) . 2_656
Si1 O22 W5 124.3(15) . .
O21 O22 W5 135.5(18) 2_656 .
Si1 O22 W6 116.8(17) . .
O21 O22 W6 125.5(16) 2_656 .
W5 O22 W6 97.2(11) . .
Si1 O22 W1 119.1(16) . 2_656
O21 O22 W1 68.5(14) 2_656 2_656
W5 O22 W1 98.6(13) . 2_656
W6 O22 W1 95.0(10) . 2_656
C2 C1 N1 120.0 . .
C1 C2 C3 120.0 . .
C4 C3 C2 120.0 . .
C4 C3 C6 117.4(13) . .
C2 C3 C6 121.2(13) . .
C3 C4 C5 120.0 . .
C4 C5 N1 120.0 . .
C5 N1 C1 120.0 . .
C5 N1 Cu1 118.2(9) . 1_444
C1 N1 Cu1 118.7(9) . 1_444
C7 C6 C9 120.0 . .
C7 C6 C3 119.0(12) . .
C9 C6 C3 120.9(12) . .
C6 C7 C8 120.0 . .
N2 C8 C7 120.0 . .
C12 N2 C10 118.6(12) . .
C12 N2 C8 121.4(12) . .
C10 N2 C8 120.0 . .
N2 C10 C9 120.0 . .
C10 C9 C6 120.0 . .
N3 C11 C12 120.0 . .
C13 N3 C11 120.0 . .
C13 N3 Cu1 121.6(9) . .
C11 N3 Cu1 118.2(9) . .
N3 C13 C14 120.0 . .
C15 C14 C13 120.0 . .
C14 C15 C12 120.0 . .
N2 C12 C15 119.3(12) . .
N2 C12 C11 120.2(12) . .
C15 C12 C11 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O1 1.674(18) .
W1 O5 1.85(2) .
W1 O4 1.91(2) .
W1 O3 1.94(3) .
W1 O2 1.95(2) .
W1 O22 2.38(3) 2_656
W1 O21 2.43(3) .
W2 O6 1.59(2) .
W2 O9 1.91(2) .
W2 O8 1.897(18) .
W2 O5 1.92(2) .
W2 O7 1.92(2) .
W2 O19 2.24(3) .
W2 O21 2.46(3) .
W3 O10 1.69(2) .
W3 O12 1.87(2) .
W3 O11 1.894(18) .
W3 O4 1.91(2) .
W3 O8 1.912(18) .
W3 O20 2.30(3) .
W3 O21 2.43(3) .
W4 O13 1.62(2) .
W4 O14 1.88(3) .
W4 O7 1.90(3) 2_656
W4 O18 1.82(3) 2_656
W4 O12 1.91(2) .
W4 O19 2.36(3) 2_656
W5 O15 1.680(19) .
W5 O11 1.89(2) .
W5 O16 1.90(3) .
W5 O2 1.97(3) 2_656
W5 O14 1.95(3) .
W5 O22 2.28(3) .
W5 O20 2.53(3) .
W6 O17 1.68(2) .
W6 O3 1.82(3) 2_656
W6 O18 1.94(2) .
W6 O16 1.88(2) .
W6 O9 1.93(2) .
W6 O22 2.41(3) .
W6 O19 2.45(3) .
Cu1 N1 1.92(3) 1_666
Cu1 N3 1.869(12) .
Cu1 O1 2.44(2) .
Si1 O21 1.53(3) .
Si1 O21 1.53(3) 2_656
Si1 O20 1.50(3) .
Si1 O20 1.50(3) 2_656
Si1 O22 1.70(3) 2_656
Si1 O22 1.70(3) .
Si1 O19 1.73(3) 2_656
Si1 O19 1.73(3) .
O2 W5 1.97(3) 2_656
O3 W6 1.82(3) 2_656
O7 W4 1.90(3) 2_656
O18 W4 1.82(3) 2_656
O19 O21 1.82(3) .
O19 W4 2.36(3) 2_656
O20 O21 1.59(4) .
O21 O22 1.87(4) 2_656
O22 O21 1.87(4) 2_656
O22 W1 2.38(3) 2_656
C1 C2 1.3900 .
C1 N1 1.3900 .
C2 C3 1.3900 .
C3 C4 1.3900 .
C3 C6 1.414(12) .
C4 C5 1.3900 .
C5 N1 1.3900 .
N1 Cu1 1.921(10) 1_444
C6 C7 1.3900 .
C6 C9 1.3900 .
C7 C8 1.3900 .
C8 N2 1.3900 .
N2 C12 1.421(15) .
N2 C10 1.3900 .
C10 C9 1.3900 .
C11 N3 1.3900 .
C11 C12 1.3900 .
N3 C13 1.3900 .
C13 C14 1.3900 .
C14 C15 1.3900 .
C15 C12 1.3900 .
