#------------------------------------------------------------------------------
#$Date: 2016-03-23 20:59:17 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179434 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/31/4333189.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_4333189
loop_
_publ_author_name
'Kong, Xiang-Jian'
'Ren, Yan-Ping'
'Zheng, Pei-Qing'
'Long, Yu-Xiang'
'Long, La-Sheng'
'Huang, Rong-Bin'
'Zheng, Lan-Sun'
_publ_section_title
;
 Construction of Polyoxometalates-Based Coordination Polymers through
 Direct Incorporation between Polyoxometalates and the Voids in a 2D
 Network
;
_journal_issue                   26
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10702
_journal_page_last               10711
_journal_paper_doi               10.1021/ic061664y
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C36 H48 Cu4 N12 O40 Si W12'
_chemical_formula_weight         3777.31
_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                 118.33
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.371(3)
_cell_length_b                   21.109(5)
_cell_length_c                   14.088(3)
_cell_measurement_temperature    173(2)
_cell_volume                     3500.1(14)
_computing_cell_refinement       'SHELXTL-Plus (Sheldrick, 1990)'
_computing_data_collection       'SHELXTL-Plus (Sheldrick, 1990)'
_computing_data_reduction        'SHELXTL-Plus (Sheldrick, 1990)'
_computing_molecular_graphics    'SHELXTL V.5.0 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.919
_diffrn_measured_fraction_theta_max 0.919
_diffrn_measurement_device_type  'Bruker Smart Apex CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0920
_diffrn_reflns_av_sigmaI/netI    0.0940
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            22453
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.90
_exptl_absorpt_coefficient_mu    20.926
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    3.584
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3372
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         3.859
_refine_diff_density_min         -4.111
_refine_diff_density_rms         0.380
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     475
_refine_ls_number_reflns         5657
_refine_ls_number_restraints     70
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0881
_refine_ls_R_factor_gt           0.0798
_refine_ls_shift/su_max          0.040
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+282.6682P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1735
_refine_ls_wR_factor_ref         0.1799
_reflns_number_gt                5037
_reflns_number_total             5657
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic061664ysup6.cif
_cod_data_source_block           complex_6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        3500.0(13)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4333189
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 0.01033(4) 0.46356(3) 0.76236(5) 0.03271(15) Uani 1 1 d .
W2 W 0.16910(5) 0.37367(4) 0.99740(5) 0.03983(17) Uani 1 1 d .
W3 W 0.14845(5) 0.40647(4) 1.23057(5) 0.04753(19) Uani 1 1 d .
W4 W -0.12935(6) 0.36141(4) 0.85753(5) 0.0523(2) Uani 1 1 d .
W5 W 0.29744(5) 0.50864(5) 1.14939(5) 0.0659(3) Uani 1 1 d .
W6 W -0.15059(6) 0.40256(4) 1.08637(6) 0.0678(2) Uani 1 1 d .
Si1 Si 0.0000 0.5000 1.0000 0.0346(16) Uani 1 2 d SD
O1 O 0.0959(6) 0.5473(4) 1.0393(10) 0.293(7) Uani 1 1 d D
O2 O 0.0486(13) 0.4361(4) 1.0444(13) 0.293(7) Uani 0.33 1 d PD
O3 O -0.0555(16) 0.4984(10) 0.8790(5) 0.293(7) Uani 0.33 1 d PD
O4 O -0.0831(6) 0.5203(9) 1.0368(9) 0.293(7) Uani 0.33 1 d PD
O5 O 0.2678(10) 0.4593(9) 1.2431(9) 0.108(5) Uani 1 1 d .
O6 O -0.1526(19) 0.3471(12) 0.9776(19) 0.128(4) Uani 1 1 d U
O7 O -0.2697(16) 0.4436(11) 0.9797(12) 0.200(7) Uani 1 1 d .
O8 O -0.2628(18) 0.4119(12) 0.7998(15) 0.159(7) Uani 1 1 d .
O9 O 0.2824(13) 0.4318(11) 1.0676(11) 0.117(7) Uani 1 1 d .
O10 O -0.1175(12) 0.4730(8) 1.1863(13) 0.076(3) Uani 1 1 d U
O11 O -0.1893(12) 0.2969(7) 0.7959(11) 0.068(3) Uani 1 1 d U
O12 O 0.0133(10) 0.4430(10) 0.6523(11) 0.096(6) Uani 1 1 d .
O13 O -0.0939(10) 0.4030(5) 0.7572(10) 0.052(3) Uani 1 1 d .
O14 O 0.1703(12) 0.3598(11) 1.1347(10) 0.105(7) Uani 1 1 d .
O15 O 0.2464(12) 0.3129(7) 0.9969(13) 0.107(5) Uani 1 1 d .
O16 O 0.0009(12) 0.3726(8) 1.1751(13) 0.076(3) Uani 1 1 d U
O17 O -0.2194(8) 0.3564(6) 1.1331(9) 0.050(3) Uani 1 1 d .
O18 O 0.0251(10) 0.3361(6) 0.9361(9) 0.052(4) Uani 1 1 d .
O19 O 0.4403(10) 0.5151(7) 1.2218(10) 0.058(4) Uani 1 1 d .
O20 O -0.1039(10) 0.5235(6) 0.7114(18) 0.100(7) Uani 1 1 d .
O21 O 0.2157(11) 0.3621(6) 1.3419(9) 0.063(4) Uani 1 1 d .
O22 O 0.1246(10) 0.4087(5) 0.8599(10) 0.052(4) Uani 1 1 d .
Cu1 Cu 0.23740(14) 0.17691(9) 1.15367(15) 0.0343(5) Uani 1 1 d .
Cu2 Cu 0.69300(16) 0.35972(11) 1.32295(17) 0.0495(7) Uani 1 1 d .
N1 N 1.0764(8) 0.3069(6) 1.5538(8) 0.026(3) Uani 1 1 d .
C1 C 1.0381(11) 0.3212(7) 1.4512(11) 0.033(4) Uani 1 1 d .
H1A H 1.0912 0.3249 1.4246 0.039 Uiso 1 1 calc R
C2 C 0.9300(11) 0.3305(7) 1.3841(11) 0.030(3) Uani 1 1 d U
H2A H 0.9073 0.3397 1.3107 0.036 Uiso 1 1 calc R
C3 C 0.8834(10) 0.3063(7) 1.5162(10) 0.024(3) Uani 1 1 d .
C4 C 1.0034(11) 0.2986(7) 1.5858(11) 0.030(4) Uani 1 1 d .
C5 C 0.7987(12) 0.2996(10) 1.5503(12) 0.049(5) Uani 1 1 d .
H5A H 0.7235 0.3081 1.4893 0.073 Uiso 1 1 calc R
H5B H 0.8139 0.3298 1.6084 0.073 Uiso 1 1 calc R
H5C H 0.8007 0.2564 1.5765 0.073 Uiso 1 1 calc R
C6 C 1.0445(11) 0.2768(7) 1.7006(11) 0.028(3) Uani 1 1 d U
H6A H 1.1275 0.2735 1.7375 0.041 Uiso 1 1 calc R
H6B H 1.0114 0.2354 1.7004 0.041 Uiso 1 1 calc R
H6C H 1.0211 0.3075 1.7384 0.041 Uiso 1 1 calc R
N2 N 0.8499(10) 0.3274(7) 1.4171(10) 0.041(4) Uani 1 1 d .
N3 N 0.5541(10) 0.3105(6) 1.2643(11) 0.036(4) Uani 1 1 d .
C7 C 0.4894(12) 0.3128(8) 1.3123(12) 0.038(3) Uani 1 1 d U
H7A H 0.5090 0.3411 1.3710 0.045 Uiso 1 1 calc R
C8 C 0.3962(12) 0.2758(8) 1.2795(12) 0.038(4) Uani 1 1 d .
H8A H 0.3483 0.2816 1.3115 0.046 Uiso 1 1 calc R
C9 C 0.4355(11) 0.2287(9) 1.1591(12) 0.037(4) Uani 1 1 d .
C10 C 0.5250(11) 0.2684(8) 1.1856(11) 0.033(4) Uani 1 1 d .
C11 C 0.4070(15) 0.1808(11) 1.0732(12) 0.060(6) Uani 1 1 d .
H11A H 0.3417 0.1558 1.0652 0.090 Uiso 1 1 calc R
H11B H 0.4723 0.1528 1.0927 0.090 Uiso 1 1 calc R
H11C H 0.3880 0.2022 1.0050 0.090 Uiso 1 1 calc R
C12 C 0.5910(12) 0.2699(8) 1.1272(13) 0.043(5) Uani 1 1 d .
H12A H 0.6505 0.3022 1.1589 0.064 Uiso 1 1 calc R
H12B H 0.5407 0.2801 1.0512 0.064 Uiso 1 1 calc R
H12C H 0.6260 0.2284 1.1323 0.064 Uiso 1 1 calc R
N4 N 0.3691(9) 0.2311(5) 1.2034(9) 0.027(3) Uani 1 1 d .
N5 N 0.2529(9) 0.0832(7) 1.1709(8) 0.034(3) Uani 1 1 d .
C13 C 0.1990(12) 0.0469(8) 1.0822(15) 0.044(5) Uani 1 1 d .
H13A H 0.1498 0.0661 1.0150 0.053 Uiso 1 1 calc R
C14 C 0.2146(13) -0.0194(9) 1.0879(14) 0.050(5) Uani 1 1 d .
H14A H 0.1749 -0.0443 1.0246 0.060 Uiso 1 1 calc R
C15 C 0.3375(10) -0.0116(10) 1.2728(11) 0.046(5) Uani 1 1 d .
C16 C 0.3200(10) 0.0541(6) 1.2634(10) 0.021(2) Uani 1 1 d U
C17 C 0.4111(12) -0.0414(7) 1.3753(11) 0.032(3) Uani 1 1 d U
H17A H 0.4121 -0.0872 1.3652 0.049 Uiso 1 1 calc R
H17B H 0.3826 -0.0325 1.4265 0.049 Uiso 1 1 calc R
H17C H 0.4883 -0.0245 1.4036 0.049 Uiso 1 1 calc R
C18 C 0.3761(12) 0.0952(10) 1.3634(11) 0.043(5) Uani 1 1 d .
H18A H 0.3558 0.1396 1.3434 0.064 Uiso 1 1 calc R
H18B H 0.4588 0.0903 1.3967 0.064 Uiso 1 1 calc R
H18C H 0.3500 0.0822 1.4148 0.064 Uiso 1 1 calc R
N6 N 0.2849(9) -0.0479(6) 1.1814(9) 0.026(2) Uani 1 1 d 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'
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
O12 W1 O10 101.6(9) . 3_567
O12 W1 O20 101.6(9) . .
O10 W1 O20 90.0(6) 3_567 .
O12 W1 O13 97.8(8) . .
O10 W1 O13 160.3(7) 3_567 .
O20 W1 O13 89.5(6) . .
O12 W1 O22 98.8(7) . .
O10 W1 O22 87.1(6) 3_567 .
O20 W1 O22 159.5(9) . .
O13 W1 O22 86.5(5) . .
O12 W1 O3 161.3(5) . .
O10 W1 O3 88.7(8) 3_567 .
O20 W1 O3 62.4(8) . .
O13 W1 O3 73.6(7) . .
O22 W1 O3 97.3(6) . .
O15 W2 O9 99.4(9) . .
O15 W2 O18 100.3(7) . .
O9 W2 O18 159.9(8) . .
O15 W2 O22 101.2(7) . .
O9 W2 O22 93.9(6) . .
O18 W2 O22 86.5(5) . .
O15 W2 O14 100.2(9) . .
O9 W2 O14 87.1(7) . .
O18 W2 O14 85.2(6) . .
O22 W2 O14 158.1(7) . .
O15 W2 O2 158.5(7) . .
O9 W2 O2 88.6(7) . .
O18 W2 O2 71.5(5) . .
O22 W2 O2 98.1(5) . .
O14 W2 O2 60.0(7) . .
O15 W2 O4 160.6(6) . 3_567
O9 W2 O4 71.7(7) . 3_567
O18 W2 O4 90.7(5) . 3_567
O22 W2 O4 63.3(5) . 3_567
O14 W2 O4 96.6(7) . 3_567
O2 W2 O4 40.7(4) . 3_567
O21 W3 O14 100.9(7) . .
O21 W3 O16 99.6(7) . .
O14 W3 O16 89.5(7) . .
O21 W3 O5 100.9(7) . .
O14 W3 O5 87.8(7) . .
O16 W3 O5 159.5(7) . .
O21 W3 O20 99.8(8) . 3_567
O14 W3 O20 159.2(9) . 3_567
O16 W3 O20 89.6(6) . 3_567
O5 W3 O20 85.7(7) . 3_567
O21 W3 O2 160.8(5) . .
O14 W3 O2 61.7(6) . .
O16 W3 O2 73.4(7) . .
O5 W3 O2 87.4(5) . .
O20 W3 O2 98.1(7) 3_567 .
O21 W3 O3 157.5(5) . 3_567
O14 W3 O3 100.8(7) . 3_567
O16 W3 O3 86.1(7) . 3_567
O5 W3 O3 74.4(7) . 3_567
O20 W3 O3 58.4(7) 3_567 3_567
O2 W3 O3 41.5(4) . 3_567
O11 W4 O6 95.6(10) . .
O11 W4 O8 96.7(9) . .
O6 W4 O8 87.3(9) . .
O11 W4 O18 101.6(6) . .
O6 W4 O18 91.6(8) . .
O8 W4 O18 161.6(8) . .
O11 W4 O13 103.0(7) . .
O6 W4 O13 161.0(9) . .
O8 W4 O13 86.5(8) . .
O18 W4 O13 88.7(5) . .
O11 W4 O1 159.6(7) . 3_567
O6 W4 O1 68.7(8) . 3_567
O8 W4 O1 70.5(7) . 3_567
O18 W4 O1 92.0(4) . 3_567
O13 W4 O1 92.3(5) . 3_567
O19 W5 O5 100.2(6) . .
O19 W5 O9 101.2(7) . .
O5 W5 O9 87.5(7) . .
O19 W5 O7 100.4(8) . 3_567
O5 W5 O7 159.4(7) . 3_567
O9 W5 O7 87.6(8) . 3_567
O19 W5 O8 96.0(8) . 3_567
O5 W5 O8 93.1(9) . 3_567
O9 W5 O8 162.4(8) . 3_567
O7 W5 O8 85.7(8) 3_567 3_567
O19 W5 O1 156.3(5) . .
O5 W5 O1 95.3(5) . .
O9 W5 O1 97.2(5) . .
O7 W5 O1 65.5(6) 3_567 .
O8 W5 O1 65.2(6) 3_567 .
O17 W6 O7 100.0(8) . .
O17 W6 O16 99.2(6) . .
O7 W6 O16 160.4(9) . .
O17 W6 O6 99.1(9) . .
O7 W6 O6 87.4(9) . .
O16 W6 O6 85.9(8) . .
O17 W6 O10 98.0(7) . .
O7 W6 O10 92.5(8) . .
O16 W6 O10 88.5(7) . .
O6 W6 O10 162.7(10) . .
O17 W6 O1 160.5(4) . 3_567
O7 W6 O1 68.9(7) . 3_567
O16 W6 O1 91.6(6) . 3_567
O6 W6 O1 65.3(8) . 3_567
O10 W6 O1 98.5(6) . 3_567
O4 Si1 O4 180.000(5) . 3_567
O4 Si1 O2 68.9(9) . 3_567
O4 Si1 O2 111.1(9) 3_567 3_567
O4 Si1 O2 111.1(9) . .
O4 Si1 O2 68.9(9) 3_567 .
O2 Si1 O2 180.000(5) 3_567 .
O4 Si1 O3 110.6(8) . .
O4 Si1 O3 69.4(8) 3_567 .
O2 Si1 O3 70.4(9) 3_567 .
O2 Si1 O3 109.6(9) . .
O4 Si1 O3 69.4(8) . 3_567
O4 Si1 O3 110.6(8) 3_567 3_567
O2 Si1 O3 109.6(9) 3_567 3_567
O2 Si1 O3 70.4(9) . 3_567
O3 Si1 O3 180.000(7) . 3_567
O4 Si1 O1 71.0(7) . 3_567
O4 Si1 O1 109.0(7) 3_567 3_567
O2 Si1 O1 108.5(7) 3_567 3_567
O2 Si1 O1 71.5(7) . 3_567
O3 Si1 O1 72.1(9) . 3_567
O3 Si1 O1 107.9(9) 3_567 3_567
O4 Si1 O1 109.0(7) . .
O4 Si1 O1 71.0(7) 3_567 .
O2 Si1 O1 71.5(7) 3_567 .
O2 Si1 O1 108.5(7) . .
O3 Si1 O1 107.9(9) . .
O3 Si1 O1 72.1(9) 3_567 .
O1 Si1 O1 180.0(5) 3_567 .
Si1 O1 O4 54.1(4) . 3_567
Si1 O1 O2 54.0(4) . 3_567
O4 O1 O2 89.7(6) 3_567 3_567
Si1 O1 O3 53.8(5) . 3_567
O4 O1 O3 89.0(9) 3_567 3_567
O2 O1 O3 88.1(9) 3_567 3_567
Si1 O1 W4 131.0(7) . 3_567
O4 O1 W4 174.8(7) 3_567 3_567
O2 O1 W4 94.4(6) 3_567 3_567
O3 O1 W4 94.2(9) 3_567 3_567
Si1 O1 W6 120.9(7) . 3_567
O4 O1 W6 83.4(8) 3_567 3_567
O2 O1 W6 92.3(8) 3_567 3_567
O3 O1 W6 172.4(9) 3_567 3_567
W4 O1 W6 93.4(3) 3_567 3_567
Si1 O1 W5 119.1(5) . .
O4 O1 W5 83.0(5) 3_567 .
O2 O1 W5 172.4(6) 3_567 .
O3 O1 W5 89.5(7) 3_567 .
W4 O1 W5 92.9(3) 3_567 .
W6 O1 W5 89.2(3) 3_567 .
Si1 O2 O4 55.4(6) . 3_567
Si1 O2 O3 54.9(5) . 3_567
O4 O2 O3 92.0(9) 3_567 3_567
Si1 O2 O1 54.5(5) . 3_567
O4 O2 O1 90.2(7) 3_567 3_567
O3 O2 O1 88.5(9) 3_567 3_567
Si1 O2 W3 126.7(9) . .
O4 O2 W3 133.9(9) 3_567 .
O3 O2 W3 71.8(8) 3_567 .
O1 O2 W3 130.6(12) 3_567 .
Si1 O2 W2 126.4(11) . .
O4 O2 W2 71.3(10) 3_567 .
O3 O2 W2 140.0(11) 3_567 .
O1 O2 W2 126.3(9) 3_567 .
W3 O2 W2 93.5(4) . .
Si1 O3 O4 55.1(5) . 3_567
Si1 O3 O2 54.7(5) . 3_567
O4 O3 O2 91.9(8) 3_567 3_567
Si1 O3 O1 54.1(5) . 3_567
O4 O3 O1 89.3(8) 3_567 3_567
O2 O3 O1 88.4(9) 3_567 3_567
Si1 O3 W1 131.4(11) . .
O4 O3 W1 76.5(9) 3_567 .
O2 O3 W1 140.3(14) 3_567 .
O1 O3 W1 128.5(12) 3_567 .
Si1 O3 W3 121.4(11) . 3_567
O4 O3 W3 132.7(13) 3_567 3_567
O2 O3 W3 66.6(9) 3_567 3_567
O1 O3 W3 129.0(11) 3_567 3_567
W1 O3 W3 93.5(4) . 3_567
Si1 O4 O2 55.7(6) . 3_567
Si1 O4 O3 55.5(5) . 3_567
O2 O4 O3 92.3(9) 3_567 3_567
Si1 O4 O1 54.9(5) . 3_567
O2 O4 O1 90.5(8) 3_567 3_567
O3 O4 O1 89.8(9) 3_567 3_567
Si1 O4 W2 123.3(10) . 3_567
O2 O4 W2 67.9(9) 3_567 3_567
O3 O4 W2 126.8(11) 3_567 3_567
O1 O4 W2 136.4(7) 3_567 3_567
W5 O5 W3 135.9(6) . .
W4 O6 W6 132.4(14) . .
W6 O7 W5 136.4(11) . 3_567
W4 O8 W5 131.3(11) . 3_567
W2 O9 W5 134.8(10) . .
W1 O10 W6 135.0(10) 3_567 .
W1 O13 W4 136.9(7) . .
W3 O14 W2 137.1(12) . .
W3 O16 W6 136.1(9) . .
W2 O18 W4 138.2(7) . .
W1 O20 W3 136.9(11) . 3_567
W2 O22 W1 137.7(9) . .
N4 Cu1 N1 131.1(5) . 4_465
N4 Cu1 N5 121.3(5) . .
N1 Cu1 N5 106.0(5) 4_465 .
N3 Cu2 N6 130.0(5) . 2_657
N3 Cu2 N2 126.4(6) . .
N6 Cu2 N2 103.4(5) 2_657 .
C4 N1 C1 117.2(11) . .
C4 N1 Cu1 122.5(9) . 4_666
C1 N1 Cu1 117.9(9) . 4_666
C2 C1 N1 123.0(14) . .
C1 C2 N2 121.7(13) . .
N2 C3 C5 117.5(12) . .
N2 C3 C4 117.8(13) . .
C5 C3 C4 124.3(12) . .
N1 C4 C3 122.7(13) . .
N1 C4 C6 118.2(11) . .
C3 C4 C6 119.0(14) . .
C3 N2 C2 116.8(12) . .
C3 N2 Cu2 122.5(11) . .
C2 N2 Cu2 120.5(10) . .
C10 N3 C7 116.5(13) . .
C10 N3 Cu2 123.9(12) . .
C7 N3 Cu2 119.1(11) . .
N3 C7 C8 121.5(15) . .
N4 C8 C7 122.3(16) . .
N4 C9 C10 123.6(15) . .
N4 C9 C11 116.5(14) . .
C10 C9 C11 119.9(15) . .
N3 C10 C9 120.9(16) . .
N3 C10 C12 116.0(14) . .
C9 C10 C12 123.0(15) . .
C9 N4 C8 114.9(13) . .
C9 N4 Cu1 120.9(10) . .
C8 N4 Cu1 124.1(11) . .
C16 N5 C13 117.4(14) . .
C16 N5 Cu1 124.1(10) . .
C13 N5 Cu1 118.3(10) . .
N5 C13 C14 120.8(15) . .
N6 C14 C13 121.0(16) . .
N6 C15 C16 118.5(13) . .
N6 C15 C17 119.7(17) . .
C16 C15 C17 121.8(14) . .
N5 C16 C15 123.6(12) . .
N5 C16 C18 116.9(13) . .
C15 C16 C18 119.4(12) . .
C14 N6 C15 118.6(14) . .
C14 N6 Cu2 117.2(11) . 2_647
C15 N6 Cu2 124.3(10) . 2_647
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O12 1.629(16) .
W1 O10 1.839(16) 3_567
W1 O20 1.847(12) .
W1 O13 1.868(11) .
W1 O22 1.889(10) .
W1 O3 2.322(17) .
W2 O15 1.650(14) .
W2 O9 1.832(18) .
W2 O18 1.872(11) .
W2 O22 1.887(12) .
W2 O14 1.949(13) .
W2 O2 2.404(18) .
W2 O4 2.458(17) 3_567
W3 O21 1.675(11) .
W3 O14 1.804(19) .
W3 O16 1.884(15) .
W3 O5 1.885(13) .
W3 O20 1.915(17) 3_567
W3 O2 2.394(15) .
W3 O3 2.478(18) 3_567
W4 O11 1.610(15) .
W4 O6 1.88(3) .
W4 O8 1.90(2) .
W4 O18 1.899(12) .
W4 O13 1.904(13) .
W4 O1 2.326(10) 3_567
W5 O19 1.691(12) .
W5 O5 1.866(14) .
W5 O9 1.94(2) .
W5 O7 1.954(18) 3_567
W5 O8 1.96(2) 3_567
W5 O1 2.523(8) .
W6 O17 1.674(12) .
W6 O7 1.810(15) .
W6 O16 1.914(14) .
W6 O6 1.92(3) .
W6 O10 1.949(17) .
W6 O1 2.453(13) 3_567
Si1 O4 1.494(8) .
Si1 O4 1.494(8) 3_567
Si1 O2 1.499(7) 3_567
Si1 O2 1.499(7) .
Si1 O3 1.502(6) .
Si1 O3 1.502(6) 3_567
Si1 O1 1.508(7) 3_567
Si1 O1 1.508(7) .
O1 O4 1.743(18) 3_567
O1 O2 1.757(16) 3_567
O1 O3 1.77(2) 3_567
O1 W4 2.326(10) 3_567
O1 W6 2.453(13) 3_567
O2 O4 1.69(2) 3_567
O2 O3 1.73(2) 3_567
O2 O1 1.757(16) 3_567
O3 O4 1.706(18) 3_567
O3 O2 1.73(2) 3_567
O3 O1 1.77(2) 3_567
O3 W3 2.478(18) 3_567
O4 O2 1.69(2) 3_567
O4 O3 1.706(18) 3_567
O4 O1 1.743(18) 3_567
O4 W2 2.458(17) 3_567
O7 W5 1.954(18) 3_567
O8 W5 1.96(2) 3_567
O10 W1 1.839(16) 3_567
O20 W3 1.915(17) 3_567
Cu1 N4 1.931(11) .
Cu1 N1 1.964(10) 4_465
Cu1 N5 1.991(15) .
Cu2 N3 1.938(12) .
Cu2 N6 1.977(12) 2_657
Cu2 N2 1.996(12) .
N1 C4 1.27(2) .
N1 C1 1.319(18) .
N1 Cu1 1.964(10) 4_666
C1 C2 1.314(18) .
C2 N2 1.36(2) .
C3 N2 1.325(18) .
C3 C5 1.43(2) .
C3 C4 1.439(17) .
C4 C6 1.51(2) .
N3 C10 1.33(2) .
N3 C7 1.33(2) .
C7 C8 1.35(2) .
C8 N4 1.34(2) .
C9 N4 1.31(2) .
C9 C10 1.36(2) .
C9 C11 1.48(2) .
C10 C12 1.47(3) .
N5 C16 1.331(16) .
N5 C13 1.35(2) .
C13 C14 1.41(3) .
C14 N6 1.343(19) .
C15 N6 1.372(19) .
C15 C16 1.40(2) .
C15 C17 1.45(2) .
C16 C18 1.52(2) .
N6 Cu2 1.977(12) 2_647
