#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/26/7022647.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_7022647
loop_
_publ_author_name
'Wang, Yuchao'
'Li, Fengyan'
'Xu, Lin'
'Jiang, Ning'
'Liu, Xizheng'
_publ_section_title
;
 Multidimensional crystal frameworks based on heteropoly blue building
 block of [SiW10Mo(V)2O40]6-: synthesis, structures and magnetic
 properties.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5839
_journal_page_last               5847
_journal_paper_doi               10.1039/c3dt32658f
_journal_volume                  42
_journal_year                    2013
_chemical_formula_sum            'C12 H30 Cu2 Mo2 N8 O50 Si W10'
_chemical_formula_weight         3271.99
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2008-06-12 # Formatted by publCIF
;
_cell_angle_alpha                90.00
_cell_angle_beta                 98.501(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.6694(4)
_cell_length_b                   22.8857(10)
_cell_length_c                   12.1606(4)
_cell_measurement_reflns_used    3018
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.1491
_cell_measurement_theta_min      3.0377
_cell_volume                     2661.47(18)
_computing_cell_refinement       'SMART (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        'SAINT (Bruker, 2002)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0952
_diffrn_reflns_av_unetI/netI     0.0735
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            8673
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         3.04
_exptl_absorpt_coefficient_mu    22.890
_exptl_absorpt_correction_T_max  0.119
_exptl_absorpt_correction_T_min  0.006
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2002)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    4.083
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2908
_exptl_crystal_size_max          0.664
_exptl_crystal_size_mid          0.201
_exptl_crystal_size_min          0.093
_refine_diff_density_max         2.956
_refine_diff_density_min         -2.074
_refine_diff_density_rms         0.467
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     246
_refine_ls_number_reflns         2409
_refine_ls_number_restraints     114
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0807
_refine_ls_R_factor_gt           0.0697
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1250P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1855
_refine_ls_wR_factor_ref         0.1990
_reflns_number_gt                1949
_reflns_number_total             2409
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt32658f.txt
_cod_data_source_block           0D
_cod_original_sg_symbol_Hall     '-c 2y'
_cod_original_sg_symbol_H-M      'c 2/m'
_cod_database_code               7022647
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W 0.98023(9) 0.89184(4) 0.20376(6) 0.0453(4) Uani 0.75 1 d P . .
Mo1 Mo 0.98023(9) 0.89184(4) 0.20376(6) 0.0453(4) Uani 0.25 1 d P . .
W2 W 0.71907(12) 1.0000 0.15314(9) 0.0564(4) Uani 0.90 2 d SP . .
Mo2 Mo 0.71907(12) 1.0000 0.15314(9) 0.0564(4) Uani 0.10 2 d SP . .
W3 W 0.74177(8) 0.89064(4) -0.04581(7) 0.0492(4) Uani 0.85 1 d P . .
Mo3 Mo 0.74177(8) 0.89064(4) -0.04581(7) 0.0492(4) Uani 0.15 1 d P . .
W4 W 1.24175(11) 1.0000 0.24742(8) 0.0464(4) Uani 0.90 2 d SP . .
Mo4 Mo 1.24175(11) 1.0000 0.24742(8) 0.0464(4) Uani 0.10 2 d SP . .
Cu1 Cu 0.7500 0.7500 0.5000 0.0558(9) Uani 1 2 d S . .
Si1 Si 1.0000 1.0000 0.0000 0.0368(19) Uani 1 4 d S . .
O1 O 0.5929(19) 1.0000 0.2334(15) 0.059(5) Uani 1 2 d SU . .
O2 O 1.1098(17) 0.9425(8) 0.2810(15) 0.078(4) Uani 1 1 d U . .
O3 O 0.9662(16) 0.8411(7) 0.2991(11) 0.068(4) Uani 1 1 d U . .
O4 O 0.6793(17) 0.9422(7) -0.1676(14) 0.076(4) Uani 1 1 d U . .
O7 O 1.138(3) 0.8504(15) 0.154(3) 0.045(7) Uani 0.47 1 d PU . 1
O7' O 1.113(3) 0.8686(13) 0.116(2) 0.042(6) Uani 0.53 1 d PU . 2
O5 O 1.357(2) 1.0000 0.3655(16) 0.064(5) Uani 1 2 d SU . .
O6 O 0.7010(17) 0.8330(7) 0.5007(12) 0.070(4) Uani 1 1 d U A .
O10 O 0.6204(14) 0.8380(7) -0.0667(13) 0.063(4) Uani 1 1 d U . .
O31 O 0.892(2) 0.9579(10) 0.0601(17) 0.039(5) Uani 0.50 1 d PU . .
O1W O 0.5000 0.7200(9) 0.5000 0.051(4) Uani 1 2 d SU . .
O33 O 0.814(2) 0.9318(11) 0.2493(18) 0.030(5) Uani 0.48 1 d PU . 1
O33' O 0.858(2) 0.9510(10) 0.2153(18) 0.038(5) Uani 0.52 1 d PU . 2
O20 O 0.689(3) 0.9526(12) 0.035(2) 0.033(6) Uani 0.43 1 d PU . 1
O20' O 0.635(3) 0.9334(12) 0.0574(19) 0.049(5) Uani 0.57 1 d PU . 2
N1 N 0.630(2) 0.7696(10) 0.1678(12) 0.082(7) Uani 1 1 d . A .
H1A H 0.6714 0.7401 0.1436 0.099 Uiso 1 1 calc R . .
H1B H 0.5762 0.7913 0.1221 0.099 Uiso 1 1 calc R . .
N2 N 0.676(7) 0.917(3) 0.432(5) 0.083(15) Uiso 0.41 1 d P A 1
N2' N 0.598(4) 0.9149(17) 0.420(3) 0.068(8) Uiso 0.59 1 d P A 2
C1 C 0.636(3) 0.8583(11) 0.4177(18) 0.075(7) Uani 1 1 d . . .
C2 C 0.648(2) 0.7817(8) 0.2776(17) 0.060(5) Uani 1 1 d . . .
C3 C 0.570(3) 0.8280(14) 0.3162(18) 0.087(8) Uani 1 1 d . A .
H3A H 0.4806 0.8123 0.3301 0.104 Uiso 1 1 calc R . .
H3B H 0.5500 0.8566 0.2571 0.104 Uiso 1 1 calc R . .
O11 O 0.7288(14) 0.7476(7) 0.3395(10) 0.058(3) Uani 1 1 d U A .
O14 O 1.091(2) 0.9615(11) 0.0948(18) 0.042(5) Uani 0.50 1 d PU . .
O15 O 0.871(2) 0.8779(12) 0.0696(19) 0.021(5) Uani 0.39 1 d PU . 1
O15' O 0.841(2) 0.8483(14) 0.091(2) 0.062(6) Uani 0.61 1 d PU . 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
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'
C C 0.0033 0.0016 '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'
Mo Mo -1.6832 0.6857 '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
O3 W1 O33' 110.3(10) . .
O3 W1 O15 113.8(10) . .
O33' W1 O15 84.5(11) . .
O3 W1 O2 101.6(8) . .
O33' W1 O2 83.9(9) . .
O15 W1 O2 144.5(10) . .
O3 W1 O7' 109.5(11) . .
O33' W1 O7' 140.2(12) . .
O15 W1 O7' 78.3(11) . .
O2 W1 O7' 89.7(9) . .
O3 W1 O7 91.5(12) . .
O33' W1 O7 157.8(13) . .
O15 W1 O7 90.5(12) . .
O2 W1 O7 87.8(10) . .
O7' W1 O7 18.8(9) . .
O3 W1 O33 88.5(9) . .
O33' W1 O33 22.7(8) . .
O15 W1 O33 87.0(10) . .
O2 W1 O33 94.8(8) . .
O7' W1 O33 160.1(11) . .
O7 W1 O33 177.3(10) . .
O3 W1 O15' 90.9(10) . .
O33' W1 O15' 92.5(10) . .
O15 W1 O15' 23.0(9) . .
O2 W1 O15' 167.5(10) . .
O7' W1 O15' 85.4(11) . .
O7 W1 O15' 91.2(11) . .
O33 W1 O15' 86.1(10) . .
O3 W1 O31 154.4(8) . .
O33' W1 O31 54.1(9) . .
O15 W1 O31 50.1(10) . .
O2 W1 O31 96.8(9) . .
O7' W1 O31 88.0(11) . .
O7 W1 O31 106.9(11) . .
O33 W1 O31 72.3(8) . .
O15' W1 O31 71.6(10) . .
O3 W1 O14 158.5(8) . .
O33' W1 O14 84.1(9) . .
O15 W1 O14 82.5(10) . .
O2 W1 O14 63.0(8) . .
O7' W1 O14 58.4(11) . .
O7 W1 O14 73.8(11) . .
O33 W1 O14 106.9(9) . .
O15' W1 O14 104.8(10) . .
O31 W1 O14 47.0(8) . .
O1 W2 O20 115.0(10) . .
O1 W2 O20 115.0(10) . 6_575
O20 W2 O20 74.8(18) . 6_575
O1 W2 O33' 108.3(9) . 6_575
O20 W2 O33' 136.7(11) . 6_575
O20 W2 O33' 88.9(11) 6_575 6_575
O1 W2 O33' 108.3(9) . .
O20 W2 O33' 88.9(11) . .
O20 W2 O33' 136.7(11) 6_575 .
O33' W2 O33' 75.8(15) 6_575 .
O1 W2 O20' 94.1(8) . .
O20 W2 O20' 22.0(8) . .
O20 W2 O20' 89.6(12) 6_575 .
O33' W2 O20' 155.8(10) 6_575 .
O33' W2 O20' 88.9(10) . .
O1 W2 O20' 94.1(8) . 6_575
O20 W2 O20' 89.6(12) . 6_575
O20 W2 O20' 22.0(8) 6_575 6_575
O33' W2 O20' 88.9(10) 6_575 6_575
O33' W2 O20' 155.8(10) . 6_575
O20' W2 O20' 98.5(14) . 6_575
O1 W2 O33 88.4(8) . 6_575
O20 W2 O33 155.8(11) . 6_575
O20 W2 O33 90.1(10) 6_575 6_575
O33' W2 O33 21.5(7) 6_575 6_575
O33' W2 O33 89.5(10) . 6_575
O20' W2 O33 177.3(10) . 6_575
O20' W2 O33 82.1(9) 6_575 6_575
O1 W2 O33 88.4(8) . .
O20 W2 O33 90.1(10) . .
O20 W2 O33 155.8(11) 6_575 .
O33' W2 O33 89.5(10) 6_575 .
O33' W2 O33 21.5(7) . .
O20' W2 O33 82.1(9) . .
O20' W2 O33 177.3(10) 6_575 .
O33 W2 O33 97.2(12) 6_575 .
O1 W2 O31 155.6(6) . 6_575
O20 W2 O31 84.7(10) . 6_575
O20 W2 O31 53.8(10) 6_575 6_575
O33' W2 O31 54.3(9) 6_575 6_575
O33' W2 O31 85.4(10) . 6_575
O20' W2 O31 106.6(9) . 6_575
O20' W2 O31 70.5(9) 6_575 6_575
O33 W2 O31 71.2(8) 6_575 6_575
O33 W2 O31 106.9(9) . 6_575
O1 W2 O31 155.6(6) . .
O20 W2 O31 53.8(10) . .
O20 W2 O31 84.7(10) 6_575 .
O33' W2 O31 85.4(10) 6_575 .
O33' W2 O31 54.3(9) . .
O20' W2 O31 70.5(9) . .
O20' W2 O31 106.6(9) 6_575 .
O33 W2 O31 106.9(9) 6_575 .
O33 W2 O31 71.2(8) . .
O31 W2 O31 48.3(11) 6_575 .
O10 W3 O15 113.7(10) . .
O10 W3 O7' 107.5(11) . 2_755
O15 W3 O7' 79.8(12) . 2_755
O10 W3 O20 113.0(10) . .
O15 W3 O20 85.5(12) . .
O7' W3 O20 139.4(13) 2_755 .
O10 W3 O4 101.1(7) . .
O15 W3 O4 145.2(10) . .
O7' W3 O4 89.0(9) 2_755 .
O20 W3 O4 81.9(10) . .
O10 W3 O20' 91.9(10) . .
O15 W3 O20' 87.2(10) . .
O7' W3 O20' 159.8(13) 2_755 .
O20 W3 O20' 22.4(9) . .
O4 W3 O20' 93.0(8) . .
O10 W3 O15' 90.9(10) . .
O15 W3 O15' 22.8(9) . .
O7' W3 O15' 87.2(11) 2_755 .
O20 W3 O15' 93.6(11) . .
O4 W3 O15' 168.0(10) . .
O20' W3 O15' 86.8(10) . .
O10 W3 O7 91.7(10) . 2_755
O15 W3 O7 91.7(12) . 2_755
O7' W3 O7 17.0(10) 2_755 2_755
O20 W3 O7 154.0(13) . 2_755
O4 W3 O7 85.9(9) . 2_755
O20' W3 O7 176.3(13) . 2_755
O15' W3 O7 93.6(11) . 2_755
O10 W3 O31 155.7(7) . .
O15 W3 O31 50.7(10) . .
O7' W3 O31 89.1(11) 2_755 .
O20 W3 O31 53.4(10) . .
O4 W3 O31 96.8(8) . .
O20' W3 O31 70.7(10) . .
O15' W3 O31 71.8(10) . .
O7 W3 O31 106.0(11) 2_755 .
O10 W3 O14 157.1(7) . 2_755
O15 W3 O14 83.4(10) . 2_755
O7' W3 O14 58.8(11) 2_755 2_755
O20 W3 O14 82.2(10) . 2_755
O4 W3 O14 62.9(7) . 2_755
O20' W3 O14 104.5(10) . 2_755
O15' W3 O14 105.6(10) . 2_755
O7 W3 O14 71.9(10) 2_755 2_755
O31 W3 O14 47.2(7) . 2_755
O5 W4 O4 100.0(7) . 2_755
O5 W4 O4 100.0(7) . 5_775
O4 W4 O4 90.1(10) 2_755 5_775
O5 W4 O2 101.3(7) . 6_575
O4 W4 O2 158.7(8) 2_755 6_575
O4 W4 O2 87.7(7) 5_775 6_575
O5 W4 O2 101.3(7) . .
O4 W4 O2 87.7(7) 2_755 .
O4 W4 O2 158.7(8) 5_775 .
O2 W4 O2 86.7(9) 6_575 .
O5 W4 O14 158.0(6) . .
O4 W4 O14 65.0(8) 2_755 .
O4 W4 O14 96.2(8) 5_775 .
O2 W4 O14 94.1(8) 6_575 .
O2 W4 O14 63.8(8) . .
O5 W4 O14 158.0(6) . 6_575
O4 W4 O14 96.2(8) 2_755 6_575
O4 W4 O14 65.0(8) 5_775 6_575
O2 W4 O14 63.8(8) 6_575 6_575
O2 W4 O14 94.1(8) . 6_575
O14 W4 O14 44.0(12) . 6_575
O11 Cu1 O11 180.000(4) 7_666 .
O11 Cu1 O6 87.6(7) 7_666 .
O11 Cu1 O6 92.4(7) . .
O11 Cu1 O6 92.4(7) 7_666 7_666
O11 Cu1 O6 87.6(7) . 7_666
O6 Cu1 O6 180.000(4) . 7_666
O14 Si1 O14 180.000(7) 6_575 2_755
O14 Si1 O14 113.5(17) 6_575 5_775
O14 Si1 O14 66.5(17) 2_755 5_775
O14 Si1 O14 66.5(17) 6_575 .
O14 Si1 O14 113.5(17) 2_755 .
O14 Si1 O14 180.0(14) 5_775 .
O14 Si1 O31 108.4(10) 6_575 .
O14 Si1 O31 71.6(10) 2_755 .
O14 Si1 O31 108.5(12) 5_775 .
O14 Si1 O31 71.5(11) . .
O14 Si1 O31 71.6(10) 6_575 5_775
O14 Si1 O31 108.4(10) 2_755 5_775
O14 Si1 O31 71.5(11) 5_775 5_775
O14 Si1 O31 108.5(12) . 5_775
O31 Si1 O31 180.0(13) . 5_775
O14 Si1 O31 71.5(11) 6_575 6_575
O14 Si1 O31 108.5(12) 2_755 6_575
O14 Si1 O31 71.6(10) 5_775 6_575
O14 Si1 O31 108.4(10) . 6_575
O31 Si1 O31 70.6(15) . 6_575
O31 Si1 O31 109.4(15) 5_775 6_575
O14 Si1 O31 108.5(12) 6_575 2_755
O14 Si1 O31 71.5(11) 2_755 2_755
O14 Si1 O31 108.4(10) 5_775 2_755
O14 Si1 O31 71.6(10) . 2_755
O31 Si1 O31 109.4(15) . 2_755
O31 Si1 O31 70.6(15) 5_775 2_755
O31 Si1 O31 180.000(5) 6_575 2_755
W1 O2 W4 137.8(10) . .
Mo4 O4 W4 0.00(5) 5_775 5_775
Mo4 O4 W3 136.9(10) 5_775 .
W4 O4 W3 136.9(10) 5_775 .
W1 O7 Mo3 120.7(17) . 2_755
W1 O7 W3 120.7(17) . 2_755
Mo3 O7 W3 0.00(5) 2_755 2_755
Mo3 O7' W3 0.00(7) 2_755 2_755
Mo3 O7' W1 146.7(18) 2_755 .
W3 O7' W1 146.7(18) 2_755 .
C1 O6 Cu1 122.7(15) . .
Si1 O31 W2 120.5(12) . .
Si1 O31 W3 120.8(11) . .
W2 O31 W3 96.1(8) . .
Si1 O31 W1 120.7(12) . .
W2 O31 W1 96.4(8) . .
W3 O31 W1 96.4(8) . .
W1 O33 W2 119.6(12) . .
W1 O33' W2 150.9(13) . .
W2 O20 W3 150.7(16) . .
W3 O20' W2 122.4(13) . .
C2 N1 H1A 120.0 . .
C2 N1 H1B 120.0 . .
H1A N1 H1B 120.0 . .
O6 C1 N2 104(3) . .
O6 C1 N2' 123(2) . .
N2 C1 N2' 31(3) . .
O6 C1 C3 124(2) . .
N2 C1 C3 129(3) . .
N2' C1 C3 112(3) . .
O11 C2 N1 116.1(17) . .
O11 C2 C3 125.0(19) . .
N1 C2 C3 119(2) . .
C2 C3 C1 116(3) . .
C2 C3 H3A 108.3 . .
C1 C3 H3A 108.3 . .
C2 C3 H3B 108.3 . .
C1 C3 H3B 108.3 . .
H3A C3 H3B 107.4 . .
C2 O11 Cu1 123.1(13) . .
Si1 O14 O14 56.7(8) . 6_575
Si1 O14 W4 124.7(13) . .
O14 O14 W4 68.0(6) 6_575 .
Si1 O14 Mo3 120.4(10) . 2_755
O14 O14 Mo3 132.0(5) 6_575 2_755
W4 O14 Mo3 95.0(8) . 2_755
Si1 O14 W3 120.4(10) . 2_755
O14 O14 W3 132.0(5) 6_575 2_755
W4 O14 W3 95.0(8) . 2_755
Mo3 O14 W3 0.00(5) 2_755 2_755
Si1 O14 W1 120.8(12) . .
O14 O14 W1 131.1(5) 6_575 .
W4 O14 W1 95.0(8) . .
Mo3 O14 W1 93.4(8) 2_755 .
W3 O14 W1 93.4(8) 2_755 .
W3 O15 W1 157.9(17) . .
W3 O15' W1 120.2(16) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O3 1.660(15) .
W1 O33' 1.81(2) .
W1 O15 1.83(2) .
W1 O2 1.857(17) .
W1 O7' 1.86(2) .
W1 O7 1.97(3) .
W1 O33 2.00(2) .
W1 O15' 2.04(2) .
W1 O31 2.37(2) .
W1 O14 2.42(2) .
W2 O1 1.672(18) .
W2 O20 1.79(3) .
W2 O20 1.79(3) 6_575
W2 O33' 1.83(2) 6_575
W2 O33' 1.83(2) .
W2 O20' 2.01(3) .
W2 O20' 2.01(3) 6_575
W2 O33 2.08(2) 6_575
W2 O33 2.08(2) .
W2 O31 2.36(2) 6_575
W2 O31 2.36(2) .
W3 O10 1.675(15) .
W3 O15 1.76(2) .
W3 O7' 1.82(2) 2_755
W3 O20 1.84(3) .
W3 O4 1.920(16) .
W3 O20' 1.99(2) .
W3 O15' 2.04(3) .
W3 O7 2.09(3) 2_755
W3 O31 2.36(2) .
W3 O14 2.42(2) 2_755
W4 O5 1.68(2) .
W4 O4 1.869(15) 2_755
W4 O4 1.869(15) 5_775
W4 O2 1.919(17) 6_575
W4 O2 1.919(17) .
W4 O14 2.35(2) .
W4 O14 2.35(2) 6_575
Cu1 O11 1.933(12) 7_666
Cu1 O11 1.933(12) .
Cu1 O6 1.957(17) .
Cu1 O6 1.957(17) 7_666
Si1 O14 1.61(2) 6_575
Si1 O14 1.61(2) 2_755
Si1 O14 1.61(2) 5_775
Si1 O14 1.61(2) .
Si1 O31 1.67(2) .
Si1 O31 1.67(2) 5_775
Si1 O31 1.67(2) 6_575
Si1 O31 1.67(2) 2_755
O4 Mo4 1.869(15) 5_775
O4 W4 1.869(15) 5_775
O7 Mo3 2.09(3) 2_755
O7 W3 2.09(3) 2_755
O7' Mo3 1.82(2) 2_755
O7' W3 1.82(2) 2_755
O6 C1 1.25(3) .
N1 C2 1.35(3) .
N1 H1A 0.8600 .
N1 H1B 0.8600 .
N2 C1 1.41(7) .
N2' C1 1.35(5) .
C1 C3 1.48(4) .
C2 O11 1.27(2) .
C2 C3 1.42(3) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
O14 O14 1.76(5) 6_575
O14 Mo3 2.42(2) 2_755
O14 W3 2.42(2) 2_755
