#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:18:35 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179623 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/87/4508796.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4508796
loop_
_publ_author_name
'Jin, Hua'
'Qi, Yanfei'
'Wang, Enbo'
'Li, Yangguang'
'Wang, Xinlong'
'Qin, Chao'
'Chang, Song'
_publ_section_title
;
 Molecular and Multidimensional Organic−Inorganic Hybrids Based on
 Polyoxometalates and Copper Coordination Polymer with Mixed
 4,4‘-Bipyridine and 2,2‘-Bipyridine Ligands
;
_journal_issue                   12
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              2693
_journal_paper_doi               10.1021/cg060303q
_journal_volume                  6
_journal_year                    2006
_chemical_formula_sum            'C50 H40 Cu4 N10 O44 Si W12'
_chemical_formula_weight         3973.37
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                109.90(3)
_cell_angle_beta                 102.97(3)
_cell_angle_gamma                98.53(3)
_cell_formula_units_Z            1
_cell_length_a                   10.929(2)
_cell_length_b                   13.615(3)
_cell_length_c                   13.843(3)
_cell_measurement_reflns_used    14312
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      3.04
_cell_volume                     1829.8(9)
_computing_cell_refinement       'rapid auto'
_computing_data_collection       'rapid auto'
_computing_data_reduction        'rapid auto'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 0.01
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID IP'
_diffrn_measurement_method       Oscillation
_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  0.0710
_diffrn_reflns_av_sigmaI/netI    0.0916
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            14312
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.04
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    20.026
_exptl_absorpt_correction_T_max  0.007
_exptl_absorpt_correction_T_min  0.003
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(blessing, 1995, 1997)'
_exptl_crystal_colour            dark-red
_exptl_crystal_density_diffrn    3.606
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1780
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.25
_refine_diff_density_max         3.379
_refine_diff_density_min         -4.286
_refine_diff_density_rms         0.377
_refine_ls_extinction_coef       0.00070(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.227
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     543
_refine_ls_number_reflns         6338
_refine_ls_number_restraints     90
_refine_ls_restrained_S_all      1.250
_refine_ls_R_factor_all          0.0767
_refine_ls_R_factor_gt           0.0641
_refine_ls_shift/su_max          0.156
_refine_ls_shift/su_mean         0.008
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1776
_refine_ls_wR_factor_ref         0.1888
_reflns_number_gt                5298
_reflns_number_total             6338
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg060303qsup2.cif
_cod_data_source_block           1
_cod_original_cell_volume        1829.9(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4508796
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Si1 Si 0.5000 0.0000 0.5000 0.0232(14) Uani 1 2 d S
W2 W 0.35439(7) -0.21400(9) 0.24679(6) 0.0529(3) Uani 1 1 d .
W3 W 0.35052(8) 0.03184(7) 0.70634(6) 0.0391(3) Uani 1 1 d .
W4 W 0.50581(7) -0.26537(7) 0.47014(5) 0.0317(3) Uani 1 1 d .
W5 W 0.35730(6) 0.05334(6) 0.27345(6) 0.0292(2) Uani 1 1 d .
W6 W 0.21023(6) -0.18629(9) 0.45647(6) 0.0442(3) Uani 1 1 d .
W7 W 0.20244(6) 0.07677(6) 0.47567(6) 0.0257(2) Uani 1 1 d .
Cu1 Cu -0.55125(19) -0.5950(3) 0.3476(2) 0.0463(7) Uani 1 1 d .
O13 O 0.5639(13) -0.1942(12) 0.6244(10) 0.044(4) Uani 1 1 d .
O12 O 0.3241(14) 0.2158(12) 0.5299(10) 0.045(4) Uani 1 1 d .
O11 O 0.2209(15) 0.0544(12) 0.3376(11) 0.049(4) Uani 1 1 d .
C4 C -0.1563(16) -0.5016(16) 0.3736(14) 0.032(4) Uani 1 1 d .
H4A H -0.0971 -0.4365 0.3934 0.038 Uiso 1 1 calc R
C3 C -0.9307(14) -0.6860(15) 0.3497(14) 0.026(4) Uani 1 1 d .
H3A H -0.9773 -0.7418 0.3612 0.032 Uiso 1 1 calc R
C2 C -0.1214(13) -0.5985(13) 0.3455(12) 0.020(3) Uani 1 1 d .
N2 N -0.7333(11) -0.6078(14) 0.3291(11) 0.034(4) Uani 1 1 d .
O14 O 0.2877(13) -0.3164(12) 0.1271(9) 0.042(3) Uani 1 1 d .
O10 O 0.5095(12) -0.3930(12) 0.4604(11) 0.047(4) Uani 1 1 d .
O9 O 0.2915(14) 0.0797(18) 0.1676(12) 0.078(7) Uani 1 1 d .
O8 O 0.0750(11) -0.2762(12) 0.4338(12) 0.046(4) Uani 1 1 d .
O7 O 0.2521(19) -0.1097(17) 0.6069(14) 0.077(5) Uani 1 1 d U
O6 O 0.2774(15) 0.0444(14) 0.8026(11) 0.055(5) Uani 1 1 d .
O5 O 0.4433(17) -0.287(2) 0.3243(14) 0.081(5) Uani 1 1 d U
C1 C -0.2868(16) -0.5073(18) 0.3704(15) 0.035(4) Uani 1 1 d .
H1A H -0.3122 -0.4428 0.3879 0.042 Uiso 1 1 calc R
O4 O 0.2490(18) 0.0870(16) 0.6208(13) 0.073(5) Uani 1 1 d U
O3 O 0.144(2) -0.0735(16) 0.4328(14) 0.078(5) Uani 1 1 d U
O2 O 0.0636(15) 0.1135(18) 0.4631(15) 0.080(5) Uani 1 1 d U
O1 O 0.2989(18) -0.1024(19) 0.2232(18) 0.093(6) Uani 1 1 d U
N1 N -0.3761(12) -0.5956(13) 0.3451(10) 0.026(3) Uani 1 1 d .
C10 C -0.9892(14) -0.6031(14) 0.3385(13) 0.024(3) Uani 1 1 d .
C9 C -0.9122(15) -0.5224(16) 0.3199(14) 0.031(4) Uani 1 1 d .
H9A H -0.9453 -0.4664 0.3095 0.037 Uiso 1 1 calc R
C8 C -0.3384(16) -0.6854(17) 0.3189(15) 0.038(5) Uani 1 1 d .
H8A H -0.4015 -0.7487 0.2977 0.046 Uiso 1 1 calc R
C7 C -0.7867(16) -0.5272(17) 0.3171(15) 0.036(4) Uani 1 1 d .
H7A H -0.7369 -0.4724 0.3065 0.044 Uiso 1 1 calc R
C6 C -0.2123(14) -0.6962(16) 0.3194(14) 0.028(4) Uani 1 1 d .
H6A H -0.1905 -0.7621 0.3038 0.033 Uiso 1 1 calc R
C5 C -0.8074(16) -0.686(2) 0.3441(16) 0.041(5) Uani 1 1 d .
H5A H -0.7734 -0.7433 0.3508 0.049 Uiso 1 1 calc R
O16 O 0.4713(19) -0.0276(19) 0.3720(18) 0.083(6) Uani 1 1 d .
O17 O 0.422(2) -0.135(2) 0.4421(16) 0.097(8) Uani 1 1 d .
O15 O 0.3368(17) -0.255(2) 0.4813(14) 0.082(5) Uani 1 1 d U
O22 O 0.4802(14) -0.0375(16) 0.7405(16) 0.077(5) Uani 1 1 d U
O18 O 0.638(2) 0.004(2) 0.4760(15) 0.092(7) Uani 1 1 d .
O21 O 0.2285(17) -0.220(2) 0.3146(14) 0.082(5) Uani 1 1 d U
O19 O 0.4209(19) 0.0673(19) 0.4633(15) 0.082(6) Uani 1 1 d .
O20 O 0.5206(17) -0.1639(19) 0.2344(18) 0.090(6) Uani 1 1 d U
Cu2 Cu 0.2257(4) -0.3405(4) -0.0555(3) 0.0845(12) Uani 1 1 d .
N4 N 0.140(2) -0.2249(18) -0.0452(13) 0.062(6) Uani 1 1 d .
N5 N 0.406(2) -0.351(2) -0.0757(16) 0.067(6) Uani 1 1 d .
N3 N 0.195(2) -0.501(2) -0.1144(17) 0.070(7) Uani 1 1 d .
C24 C 0.093(3) -0.574(3) -0.135(2) 0.089(11) Uani 1 1 d .
H24A H 0.0229 -0.5475 -0.1203 0.107 Uiso 1 1 calc R
C23 C 0.0304(19) -0.045(2) -0.0090(19) 0.055(7) Uani 1 1 d .
C22 C 0.294(3) -0.538(2) -0.1389(18) 0.070(8) Uani 1 1 d .
C21 C 0.414(3) -0.454(3) -0.1124(17) 0.075(9) Uani 1 1 d .
C20 C 0.625(3) -0.293(4) -0.062(3) 0.089(9) Uani 1 1 d U
H20A H 0.6934 -0.2353 -0.0465 0.107 Uiso 1 1 calc R
C19 C 0.070(3) -0.689(3) -0.179(3) 0.090(9) Uani 1 1 d U
H19A H -0.0098 -0.7198 -0.2381 0.109 Uiso 1 1 calc R
H19B H 0.0593 -0.7159 -0.1239 0.109 Uiso 1 1 calc R
C18 C 0.177(4) -0.722(3) -0.216(3) 0.100(13) Uani 1 1 d .
H18A H 0.1710 -0.7934 -0.2566 0.120 Uiso 1 1 calc R
C17 C 0.285(4) -0.646(4) -0.192(3) 0.107(14) Uani 1 1 d .
H17A H 0.3557 -0.6665 -0.2116 0.129 Uiso 1 1 calc R
C16 C 0.512(3) -0.271(3) -0.048(3) 0.093(10) Uani 1 1 d U
H16A H 0.5068 -0.2001 -0.0189 0.112 Uiso 1 1 calc R
C15 C 0.129(3) -0.062(3) -0.059(2) 0.089(9) Uani 1 1 d U
H15A H 0.1623 -0.0105 -0.0831 0.107 Uiso 1 1 calc R
C14 C 0.643(4) -0.391(4) -0.095(3) 0.106(13) Uani 1 1 d .
H14A H 0.7229 -0.4035 -0.1006 0.127 Uiso 1 1 calc R
C13 C 0.534(4) -0.476(4) -0.123(2) 0.099(13) Uani 1 1 d .
H13A H 0.5405 -0.5475 -0.1491 0.119 Uiso 1 1 calc R
C12 C 0.176(4) -0.148(3) -0.0738(19) 0.086(10) Uani 1 1 d .
H12A H 0.2407 -0.1529 -0.1077 0.103 Uiso 1 1 calc R
C11 C -0.007(3) -0.130(3) 0.022(3) 0.099(10) Uani 1 1 d U
H11A H -0.0681 -0.1293 0.0592 0.118 Uiso 1 1 calc R
C25 C 0.052(4) -0.218(4) -0.007(3) 0.101(11) Uiso 1 1 d .
H25A H 0.0173 -0.2778 0.0050 0.121 Uiso 1 1 calc R
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'
W W -0.8490 6.8722 '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'
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
O19 Si1 O19 180.000(6) . 2_656
O19 Si1 O18 116.5(11) . .
O19 Si1 O18 63.5(11) 2_656 .
O19 Si1 O18 63.5(11) . 2_656
O19 Si1 O18 116.5(11) 2_656 2_656
O18 Si1 O18 180.000(3) . 2_656
O19 Si1 O16 67.3(10) . .
O19 Si1 O16 112.7(10) 2_656 .
O18 Si1 O16 73.4(10) . .
O18 Si1 O16 106.6(10) 2_656 .
O19 Si1 O16 112.7(10) . 2_656
O19 Si1 O16 67.3(10) 2_656 2_656
O18 Si1 O16 106.6(10) . 2_656
O18 Si1 O16 73.4(10) 2_656 2_656
O16 Si1 O16 180.000(5) . 2_656
O19 Si1 O17 112.4(10) . .
O19 Si1 O17 67.6(10) 2_656 .
O18 Si1 O17 104.3(11) . .
O18 Si1 O17 75.7(11) 2_656 .
O16 Si1 O17 76.8(10) . .
O16 Si1 O17 103.2(10) 2_656 .
O19 Si1 O17 67.6(10) . 2_656
O19 Si1 O17 112.4(10) 2_656 2_656
O18 Si1 O17 75.7(11) . 2_656
O18 Si1 O17 104.3(11) 2_656 2_656
O16 Si1 O17 103.2(10) . 2_656
O16 Si1 O17 76.8(10) 2_656 2_656
O17 Si1 O17 180.0(12) . 2_656
O14 W2 O1 102.8(8) . .
O14 W2 O21 102.9(9) . .
O1 W2 O21 86.1(9) . .
O14 W2 O20 100.6(8) . .
O1 W2 O20 91.4(9) . .
O21 W2 O20 156.3(10) . .
O14 W2 O5 99.4(8) . .
O1 W2 O5 157.8(10) . .
O21 W2 O5 89.3(8) . .
O20 W2 O5 84.2(9) . .
O14 W2 O17 153.6(8) . .
O1 W2 O17 98.0(9) . .
O21 W2 O17 62.3(8) . .
O20 W2 O17 94.9(9) . .
O5 W2 O17 60.9(8) . .
O14 W2 O16 156.1(6) . .
O1 W2 O16 61.2(8) . .
O21 W2 O16 93.9(9) . .
O20 W2 O16 64.6(8) . .
O5 W2 O16 97.6(8) . .
O17 W2 O16 50.2(8) . .
O6 W3 O4 101.1(7) . .
O6 W3 O22 103.8(8) . .
O4 W3 O22 154.9(9) . .
O6 W3 O20 102.4(9) . 2_656
O4 W3 O20 89.2(8) . 2_656
O22 W3 O20 88.9(8) . 2_656
O6 W3 O7 98.5(9) . .
O4 W3 O7 88.0(8) . .
O22 W3 O7 84.9(8) . .
O20 W3 O7 159.0(9) 2_656 .
O6 W3 O16 157.2(7) . 2_656
O4 W3 O16 98.2(7) . 2_656
O22 W3 O16 58.5(8) . 2_656
O20 W3 O16 65.6(8) 2_656 2_656
O7 W3 O16 94.2(8) . 2_656
O6 W3 O18 155.9(8) . 2_656
O4 W3 O18 60.4(8) . 2_656
O22 W3 O18 94.8(9) . 2_656
O20 W3 O18 93.0(9) 2_656 2_656
O7 W3 O18 67.6(8) . 2_656
O16 W3 O18 46.8(8) 2_656 2_656
O10 W4 O12 99.6(6) . 2_656
O10 W4 O5 101.3(9) . .
O12 W4 O5 90.2(7) 2_656 .
O10 W4 O15 103.7(9) . .
O12 W4 O15 156.6(9) 2_656 .
O5 W4 O15 87.8(7) . .
O10 W4 O13 98.4(6) . .
O12 W4 O13 88.1(5) 2_656 .
O5 W4 O13 160.2(9) . .
O15 W4 O13 86.0(7) . .
O10 W4 O17 157.2(8) . .
O12 W4 O17 99.0(8) 2_656 .
O5 W4 O17 65.5(9) . .
O15 W4 O17 59.1(9) . .
O13 W4 O17 95.2(7) . .
O10 W4 O19 158.0(7) . 2_656
O12 W4 O19 66.0(7) 2_656 2_656
O5 W4 O19 95.4(9) . 2_656
O15 W4 O19 90.9(9) . 2_656
O13 W4 O19 65.9(6) . 2_656
O17 W4 O19 44.5(8) . 2_656
O9 W5 O22 103.5(9) . 2_656
O9 W5 O13 100.1(9) . 2_656
O22 W5 O13 88.9(7) 2_656 2_656
O9 W5 O11 100.8(8) . .
O22 W5 O11 155.7(8) 2_656 .
O13 W5 O11 87.8(6) 2_656 .
O9 W5 O1 103.8(10) . .
O22 W5 O1 89.1(8) 2_656 .
O13 W5 O1 155.8(8) 2_656 .
O11 W5 O1 84.2(7) . .
O9 W5 O16 158.8(10) . .
O22 W5 O16 61.4(8) 2_656 .
O13 W5 O16 94.6(8) 2_656 .
O11 W5 O16 94.9(7) . .
O1 W5 O16 63.6(9) . .
O9 W5 O19 159.2(10) . .
O22 W5 O19 91.9(8) 2_656 .
O13 W5 O19 65.8(7) 2_656 .
O11 W5 O19 64.9(7) . .
O1 W5 O19 90.1(9) . .
O16 W5 O19 42.0(8) . .
O8 W6 O15 103.4(9) . .
O8 W6 O3 101.6(7) . .
O15 W6 O3 154.7(9) . .
O8 W6 O7 100.9(8) . .
O15 W6 O7 88.6(8) . .
O3 W6 O7 90.1(8) . .
O8 W6 O21 102.3(9) . .
O15 W6 O21 87.0(8) . .
O3 W6 O21 84.3(8) . .
O7 W6 O21 156.9(9) . .
O8 W6 O17 153.3(8) . .
O15 W6 O17 56.7(9) . .
O3 W6 O17 98.4(8) . .
O7 W6 O17 96.5(8) . .
O21 W6 O17 62.3(7) . .
O8 W6 O18 157.4(8) . 2_656
O15 W6 O18 95.1(10) . 2_656
O3 W6 O18 61.5(8) . 2_656
O7 W6 O18 66.3(7) . 2_656
O21 W6 O18 91.4(9) . 2_656
O17 W6 O18 49.3(9) . 2_656
O2 W7 O11 100.0(8) . .
O2 W7 O3 101.2(10) . .
O11 W7 O3 89.6(6) . .
O2 W7 O4 102.6(9) . .
O11 W7 O4 157.4(8) . .
O3 W7 O4 87.7(7) . .
O2 W7 O12 100.5(9) . .
O11 W7 O12 88.3(5) . .
O3 W7 O12 158.2(8) . .
O4 W7 O12 85.9(6) . .
O2 W7 O18 160.3(10) . 2_656
O11 W7 O18 95.4(7) . 2_656
O3 W7 O18 66.4(9) . 2_656
O4 W7 O18 63.0(8) . 2_656
O12 W7 O18 92.2(8) . 2_656
O2 W7 O19 159.5(10) . .
O11 W7 O19 65.9(6) . .
O3 W7 O19 93.7(9) . .
O4 W7 O19 91.8(8) . .
O12 W7 O19 65.8(7) . .
O18 W7 O19 40.1(7) 2_656 .
N2 Cu1 N1 171.9(6) . .
W5 O13 W4 137.0(7) 2_656 .
W4 O12 W7 135.7(9) 2_656 .
W7 O11 W5 137.5(9) . .
C2 C4 C1 116.0(17) . .
C5 C3 C10 121.8(16) . .
C4 C2 C6 120.9(14) . .
C4 C2 C10 120.6(15) . 1_655
C6 C2 C10 118.5(14) . 1_655
C5 N2 C7 117.3(14) . .
C5 N2 Cu1 122.0(12) . .
C7 N2 Cu1 119.9(12) . .
W2 O14 Cu2 137.6(8) . .
W6 O7 W3 135.1(9) . .
W4 O5 W2 135.7(12) . .
N1 C1 C4 125.9(18) . .
W3 O4 W7 139.3(13) . .
W6 O3 W7 137.4(11) . .
W2 O1 W5 139.1(12) . .
C8 N1 C1 115.8(14) . .
C8 N1 Cu1 121.2(12) . .
C1 N1 Cu1 123.0(12) . .
C3 C10 C9 115.4(13) . .
C3 C10 C2 123.6(14) . 1_455
C9 C10 C2 121.0(15) . 1_455
C7 C9 C10 119.6(17) . .
N1 C8 C6 126.7(17) . .
N2 C7 C9 123.3(17) . .
C2 C6 C8 114.6(16) . .
N2 C5 C3 122.6(18) . .
Si1 O16 O19 52.4(10) . .
Si1 O16 W5 127.5(12) . .
O19 O16 W5 75.1(10) . .
Si1 O16 W3 119.8(10) . 2_656
O19 O16 W3 137.2(14) . 2_656
W5 O16 W3 96.8(7) . 2_656
Si1 O16 W2 117.4(10) . .
O19 O16 W2 129.6(13) . .
W5 O16 W2 95.1(8) . .
W3 O16 W2 92.5(8) 2_656 .
Si1 O17 O19 49.9(10) . 2_656
Si1 O17 W4 124.8(10) . .
O19 O17 W4 74.9(10) 2_656 .
Si1 O17 W6 118.3(11) . .
O19 O17 W6 134.8(12) 2_656 .
W4 O17 W6 100.2(10) . .
Si1 O17 W2 115.6(11) . .
O19 O17 W2 130.6(13) 2_656 .
W4 O17 W2 97.7(9) . .
W6 O17 W2 94.6(8) . .
W6 O15 W4 143.4(13) . .
W5 O22 W3 142.3(13) 2_656 .
Si1 O18 O19 54.4(10) . 2_656
Si1 O18 W7 129.6(11) . 2_656
O19 O18 W7 75.3(11) 2_656 2_656
Si1 O18 W3 120.0(11) . 2_656
O19 O18 W3 135.5(16) 2_656 2_656
W7 O18 W3 96.7(9) 2_656 2_656
Si1 O18 W6 116.8(13) . 2_656
O19 O18 W6 132.9(13) 2_656 2_656
W7 O18 W6 94.1(9) 2_656 2_656
W3 O18 W6 90.8(7) 2_656 2_656
W2 O21 W6 140.6(11) . .
Si1 O19 O18 62.1(12) . 2_656
Si1 O19 O16 60.3(11) . .
O18 O19 O16 101.1(17) 2_656 .
Si1 O19 O17 62.5(11) . 2_656
O18 O19 O17 100.3(14) 2_656 2_656
O16 O19 O17 96.3(15) . 2_656
Si1 O19 W7 126.6(11) . .
O18 O19 W7 64.6(11) 2_656 .
O16 O19 W7 130.2(13) . .
O17 O19 W7 132.1(13) 2_656 .
Si1 O19 W4 123.0(11) . 2_656
O18 O19 W4 127.7(14) 2_656 2_656
O16 O19 W4 127.5(12) . 2_656
O17 O19 W4 60.5(10) 2_656 2_656
W7 O19 W4 91.9(8) . 2_656
Si1 O19 W5 123.3(12) . .
O18 O19 W5 132.5(14) 2_656 .
O16 O19 W5 63.0(8) . .
O17 O19 W5 124.6(12) 2_656 .
W7 O19 W5 91.2(7) . .
W4 O19 W5 90.9(7) 2_656 .
W2 O20 W3 136.9(12) . 2_656
N4 Cu2 N3 143.2(9) . .
N4 Cu2 N5 129.7(10) . .
N3 Cu2 N5 81.6(10) . .
N4 Cu2 O14 99.3(6) . .
N3 Cu2 O14 95.9(7) . .
N5 Cu2 O14 95.0(6) . .
C25 N4 C12 115(3) . .
C25 N4 Cu2 122(3) . .
C12 N4 Cu2 123(2) . .
C21 N5 C16 119(3) . .
C21 N5 Cu2 111.1(19) . .
C16 N5 Cu2 129(3) . .
C24 N3 C22 115(3) . .
C24 N3 Cu2 130(2) . .
C22 N3 Cu2 115(2) . .
N3 C24 C19 130(3) . .
C15 C23 C11 111(3) . .
C15 C23 C23 128(3) . 2
C11 C23 C23 122(3) . 2
N3 C22 C17 122(3) . .
N3 C22 C21 115(3) . .
C17 C22 C21 122(3) . .
N5 C21 C13 119(3) . .
N5 C21 C22 117(3) . .
C13 C21 C22 124(4) . .
C14 C20 C16 123(4) . .
C24 C19 C18 110(3) . .
C17 C18 C19 118(4) . .
C18 C17 C22 122(4) . .
N5 C16 C20 121(4) . .
C12 C15 C23 123(3) . .
C20 C14 C13 116(4) . .
C21 C13 C14 120(4) . .
N4 C12 C15 125(3) . .
C25 C11 C23 117(4) . .
N4 C25 C11 128(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Si1 O19 1.48(2) .
Si1 O19 1.48(2) 2_656
Si1 O18 1.61(2) .
Si1 O18 1.61(2) 2_656
Si1 O16 1.63(2) .
Si1 O16 1.63(2) 2_656
Si1 O17 1.72(3) .
Si1 O17 1.72(3) 2_656
W2 O14 1.674(13) .
W2 O1 1.82(2) .
W2 O21 1.839(18) .
W2 O20 1.91(2) .
W2 O5 1.904(18) .
W2 O17 2.43(2) .
W2 O16 2.48(2) .
W3 O6 1.675(12) .
W3 O4 1.860(17) .
W3 O22 1.878(17) .
W3 O20 1.90(2) 2_656
W3 O7 1.92(2) .
W3 O16 2.43(2) 2_656
W3 O18 2.439(19) 2_656
W4 O10 1.703(16) .
W4 O12 1.881(13) 2_656
W4 O5 1.884(16) .
W4 O15 1.909(17) .
W4 O13 1.924(13) .
W4 O17 2.23(2) .
W4 O19 2.47(2) 2_656
W5 O9 1.659(14) .
W5 O22 1.864(15) 2_656
W5 O13 1.881(14) 2_656
W5 O11 1.898(14) .
W5 O1 1.94(2) .
W5 O16 2.301(18) .
W5 O19 2.496(18) .
W6 O8 1.665(13) .
W6 O15 1.819(19) .
W6 O3 1.89(2) .
W6 O7 1.893(18) .
W6 O21 1.922(17) .
W6 O17 2.39(2) .
W6 O18 2.51(2) 2_656
W7 O2 1.658(15) .
W7 O11 1.893(13) .
W7 O3 1.887(19) .
W7 O4 1.909(14) .
W7 O12 1.937(13) .
W7 O18 2.29(2) 2_656
W7 O19 2.45(2) .
Cu1 N2 1.922(11) .
Cu1 N1 1.924(12) .
O13 W5 1.881(14) 2_656
O12 W4 1.881(13) 2_656
C4 C2 1.38(2) .
C4 C1 1.41(2) .
C3 C5 1.37(2) .
C3 C10 1.41(2) .
C2 C6 1.42(2) .
C2 C10 1.48(2) 1_655
N2 C5 1.35(2) .
N2 C7 1.36(2) .
O14 Cu2 2.357(11) .
C1 N1 1.32(2) .
N1 C8 1.31(2) .
C10 C9 1.41(2) .
C10 C2 1.48(2) 1_455
C9 C7 1.39(2) .
C8 C6 1.41(2) .
O16 O19 1.73(3) .
O16 W3 2.43(2) 2_656
O17 O19 1.79(3) 2_656
O22 W5 1.864(15) 2_656
O18 O19 1.63(3) 2_656
O18 W7 2.29(2) 2_656
O18 W3 2.439(19) 2_656
O18 W6 2.51(2) 2_656
O19 O18 1.63(3) 2_656
O19 O17 1.79(3) 2_656
O19 W4 2.47(2) 2_656
O20 W3 1.90(2) 2_656
Cu2 N4 1.93(2) .
Cu2 N3 2.00(3) .
Cu2 N5 2.07(2) .
N4 C25 1.20(4) .
N4 C12 1.28(4) .
N5 C21 1.34(4) .
N5 C16 1.34(4) .
N3 C24 1.28(4) .
N3 C22 1.32(4) .
C24 C19 1.43(5) .
C23 C15 1.42(4) .
C23 C11 1.41(4) .
C23 C23 1.45(5) 2
C22 C17 1.37(5) .
C22 C21 1.49(4) .
C21 C13 1.42(4) .
C20 C14 1.32(5) .
C20 C16 1.35(5) .
C19 C18 1.46(5) .
C18 C17 1.34(5) .
C15 C12 1.32(5) .
C14 C13 1.41(5) .
C11 C25 1.42(5) .
