#------------------------------------------------------------------------------
#$Date: 2016-03-23 20:59:17 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179434 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/31/4333185.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_4333185
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            'C40 H76 Cu2 N8 O62 Si W12'
_chemical_formula_weight         4022.46
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           66
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2 2c'
_symmetry_space_group_name_H-M   'C c c m'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.740(5)
_cell_length_b                   22.157(6)
_cell_length_c                   22.245(6)
_cell_measurement_reflns_used    31310
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.1
_cell_measurement_theta_min      2.35
_cell_volume                     8744(4)
_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 0.964
_diffrn_measured_fraction_theta_max 0.964
_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  0.0500
_diffrn_reflns_av_sigmaI/netI    0.0304
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            31736
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.47
_exptl_absorpt_coefficient_mu    16.311
_exptl_absorpt_correction_type   sadabs
_exptl_crystal_colour            purple-red
_exptl_crystal_density_diffrn    3.056
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       slice
_exptl_crystal_F_000             7312
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.446
_refine_diff_density_min         -3.111
_refine_diff_density_rms         0.281
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.141
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     315
_refine_ls_number_reflns         4277
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.141
_refine_ls_R_factor_all          0.0536
_refine_ls_R_factor_gt           0.0507
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0128P)²+709.9399P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1004
_refine_ls_wR_factor_ref         0.1019
_reflns_number_gt                4066
_reflns_number_total             4277
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic061664ysup2.cif
_cod_data_source_block           complex_2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

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_sg_symbol_H-M      Cccm
_cod_database_code               4333185
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z+1/2'
'x, -y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x, y, -z'
'x, -y, z-1/2'
'-x, y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
'-x+1/2, 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 -0.39883(3) -0.17993(2) -0.07903(2) 0.02882(15) Uani 1 1 d .
W2 W -0.2500 -0.2500 -0.15838(3) 0.01717(15) Uani 1 2 d S
W3 W -0.21772(3) -0.11409(2) -0.07937(2) 0.02479(14) Uani 1 1 d .
W4 W -0.43040(5) -0.31607(4) 0.0000 0.0381(2) Uani 1 2 d S
Si1 Si -0.2500 -0.2500 0.0000 0.0230(14) Uani 1 4 d S
O1 O -0.2675(8) -0.2142(7) -0.0594(6) 0.015(3) Uani 0.50 1 d P
O2 O -0.2910(13) -0.3159(10) 0.0000 0.023(5) Uani 0.50 2 d SP
O3 O -0.3443(13) -0.2328(11) 0.0000 0.021(5) Uani 0.50 2 d SP
O4 O -0.2500 -0.2500 -0.2353(7) 0.065(6) Uani 1 2 d S
O5 O -0.4209(18) -0.1541(8) 0.0000 0.111(11) Uani 1 2 d S
O6 O -0.1176(6) -0.1349(9) -0.0599(5) 0.089(6) Uani 1 1 d .
O7 O -0.4415(13) -0.2549(5) -0.0593(5) 0.115(8) Uani 1 1 d .
O8 O -0.3473(5) -0.2198(5) -0.1417(7) 0.067(4) Uani 1 1 d .
O9 O -0.2311(9) -0.0838(14) 0.0000 0.101(10) Uani 1 2 d S
O10 O -0.2138(5) -0.1710(4) -0.1433(7) 0.063(4) Uani 1 1 d .
O11 O -0.3230(5) -0.1190(5) -0.0836(6) 0.057(4) Uani 1 1 d .
O12 O -0.2045(7) -0.0487(4) -0.1182(5) 0.055(3) Uani 1 1 d .
O13 O -0.4703(5) -0.1465(4) -0.1161(4) 0.036(2) Uani 1 1 d .
O14 O -0.5181(7) -0.3459(6) 0.0000 0.035(3) Uani 1 2 d S
Cu1 Cu -0.5000 0.0000 -0.2500 0.0526(13) Uani 1 4 d S
Cu2 Cu -0.5000 -0.5000 -0.2500 0.0139(5) Uani 1 4 d S
N1 N -0.5000 -0.0898(6) -0.2500 0.025(3) Uani 1 2 d S
C1 C -0.4392(7) -0.1219(5) -0.2648(6) 0.028(3) Uani 1 1 d .
H1A H -0.3955 -0.1001 -0.2766 0.033 Uiso 1 1 calc R
C2 C -0.4344(7) -0.1836(5) -0.2645(6) 0.025(3) Uani 1 1 d .
H2A H -0.3885 -0.2036 -0.2738 0.030 Uiso 1 1 calc R
C3 C -0.5000 -0.2165(7) -0.2500 0.018(3) Uani 1 2 d S
C4 C -0.5000 -0.2825(8) -0.2500 0.021(3) Uani 1 2 d S
C5 C -0.4528(7) -0.3162(5) -0.2119(5) 0.025(3) Uani 1 1 d .
H5A H -0.4190 -0.2959 -0.1856 0.030 Uiso 1 1 calc R
C6 C -0.4550(6) -0.3786(5) -0.2120(5) 0.019(2) Uani 1 1 d .
H6A H -0.4239 -0.4001 -0.1847 0.022 Uiso 1 1 calc R
N2 N -0.5000 -0.4100(6) -0.2500 0.017(3) Uani 1 2 d S
N3 N -0.5000 -0.5000 -0.1597(6) 0.022(3) Uani 1 2 d S
C11 C -0.5539(7) -0.4713(5) -0.1277(5) 0.023(2) Uani 1 1 d .
H11A H -0.5931 -0.4511 -0.1488 0.027 Uiso 1 1 calc R
C12 C -0.5545(7) -0.4701(5) -0.0667(5) 0.023(3) Uani 1 1 d .
H12A H -0.5930 -0.4484 -0.0464 0.027 Uiso 1 1 calc R
C13 C -0.5000 -0.5000 -0.0331(8) 0.022(4) Uani 1 2 d S
C14 C -0.5000 0.0000 -0.0332(7) 0.025(4) Uani 1 2 d S
C15 C -0.4335(10) -0.0028(8) -0.0667(6) 0.046(4) Uani 1 1 d .
H15A H -0.3865 -0.0045 -0.0464 0.055 Uiso 1 1 calc R
C16 C -0.4348(11) -0.0033(8) -0.1277(6) 0.047(4) Uani 1 1 d .
H16A H -0.3884 -0.0060 -0.1488 0.057 Uiso 1 1 calc R
N4 N -0.5000 0.0000 -0.1599(6) 0.037(4) Uani 1 2 d S
O1W O -0.3642(7) -0.5000 -0.2500 0.024(3) Uani 1 2 d S
H1WA H -0.331(8) -0.468(6) -0.258(7) 0.04(4) Uiso 1 1 d .
O2W O -0.2538(9) -0.6264(9) -0.1067(9) 0.107(7) Uani 1 1 d .
H2WA H -0.2625 -0.5952 -0.0856 0.129 Uiso 1 1 d R
H2WB H -0.2138 -0.6444 -0.0954 0.129 Uiso 1 1 d R
O3W O -0.1219(8) -0.6764(8) -0.0654(8) 0.090(5) Uani 1 1 d .
H3WA H -0.0819 -0.6649 -0.0831 0.108 Uiso 0.50 1 d PR
H3WB H -0.1202 -0.6675 -0.0283 0.108 Uiso 0.50 1 d PR
H3WC H -0.1267 -0.7144 -0.0694 0.108 Uiso 1 1 d R
O4W O -0.2586(15) -0.5542(12) 0.0000 0.125(11) Uani 1 2 d SU
H4WA H -0.2951 -0.5294 0.0000 0.150 Uiso 1 2 d SR
H4WB H -0.2187 -0.5329 0.0000 0.150 Uiso 1 2 d SR
O5W O -0.3765(10) -0.7026(11) -0.0940(10) 0.134(8) Uani 1 1 d .
H5WA H -0.3463 -0.6852 -0.1181 0.161 Uiso 1 1 d R
H5WB H -0.3849 -0.6871 -0.0597 0.161 Uiso 1 1 d R
O6W O -0.1615(6) -0.5000 -0.2500 0.024(3) Uani 1 2 d S
H6WA H -0.1896 -0.5305 -0.2441 0.029 Uiso 1 1 d R
O7W O -0.2624(6) -0.5971(5) -0.2316(6) 0.055(3) Uani 1 1 d .
H7WA H -0.2617 -0.6126 -0.1966 0.065 Uiso 1 1 d R
H7WB H -0.2632 -0.6238 -0.2590 0.065 Uiso 1 1 d 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'
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
O13 W1 O7 101.6(8) . .
O13 W1 O8 102.1(5) . .
O7 W1 O8 87.3(6) . .
O13 W1 O5 99.6(10) . .
O7 W1 O5 88.1(6) . .
O8 W1 O5 158.3(10) . .
O13 W1 O11 101.2(5) . .
O7 W1 O11 157.3(8) . .
O8 W1 O11 87.2(4) . .
O5 W1 O11 88.9(7) . .
O13 W1 O3 155.0(6) . .
O7 W1 O3 62.9(8) . .
O8 W1 O3 96.9(6) . .
O5 W1 O3 62.3(9) . .
O11 W1 O3 95.9(7) . .
O13 W1 O1 157.6(5) . .
O7 W1 O1 93.8(8) . .
O8 W1 O1 62.1(5) . .
O5 W1 O1 97.1(10) . .
O11 W1 O1 64.2(5) . .
O3 W1 O1 47.4(6) . .
O4 W2 O8 101.3(5) . .
O4 W2 O8 101.3(5) . 6_445
O8 W2 O8 157.4(10) . 6_445
O4 W2 O10 100.2(5) . .
O8 W2 O10 87.0(4) . .
O8 W2 O10 89.0(5) 6_445 .
O4 W2 O10 100.2(5) . 6_445
O8 W2 O10 89.0(5) . 6_445
O8 W2 O10 87.0(4) 6_445 6_445
O10 W2 O10 159.6(10) . 6_445
O4 W2 O1 158.9(3) . .
O8 W2 O1 65.0(6) . .
O8 W2 O1 93.2(6) 6_445 .
O10 W2 O1 64.5(6) . .
O10 W2 O1 95.8(6) 6_445 .
O4 W2 O1 158.9(3) . 6_445
O8 W2 O1 93.2(6) . 6_445
O8 W2 O1 65.0(6) 6_445 6_445
O10 W2 O1 95.8(6) . 6_445
O10 W2 O1 64.5(6) 6_445 6_445
O1 W2 O1 42.3(7) . 6_445
O12 W3 O11 99.3(6) . .
O12 W3 O6 101.2(7) . .
O11 W3 O6 159.5(7) . .
O12 W3 O10 100.3(6) . .
O11 W3 O10 87.8(4) . .
O6 W3 O10 88.6(6) . .
O12 W3 O9 100.9(10) . .
O11 W3 O9 86.7(6) . .
O6 W3 O9 89.4(6) . .
O10 W3 O9 158.7(10) . .
O12 W3 O2 158.7(6) . 13_445
O11 W3 O2 93.7(7) . 13_445
O6 W3 O2 66.7(7) . 13_445
O10 W3 O2 97.0(6) . 13_445
O9 W3 O2 62.9(10) . 13_445
O12 W3 O1 156.9(6) . .
O11 W3 O1 66.0(5) . .
O6 W3 O1 94.5(7) . .
O10 W3 O1 62.9(5) . .
O9 W3 O1 96.1(10) . .
O2 W3 O1 44.4(5) 13_445 .
O14 W4 O7 100.6(7) . 10
O14 W4 O7 100.6(7) . .
O7 W4 O7 87.8(7) 10 .
O14 W4 O6 100.8(6) . 6_445
O7 W4 O6 158.7(8) 10 6_445
O7 W4 O6 88.2(7) . 6_445
O14 W4 O6 100.8(6) . 13_445
O7 W4 O6 88.2(7) 10 13_445
O7 W4 O6 158.7(8) . 13_445
O6 W4 O6 87.9(8) 6_445 13_445
O14 W4 O3 152.7(7) . .
O7 W4 O3 61.1(6) 10 .
O7 W4 O3 61.1(6) . .
O6 W4 O3 98.8(7) 6_445 .
O6 W4 O3 98.8(7) 13_445 .
O14 W4 O2 157.1(7) . .
O7 W4 O2 95.9(8) 10 .
O7 W4 O2 95.9(8) . .
O6 W4 O2 63.7(5) 6_445 .
O6 W4 O2 63.7(5) 13_445 .
O3 W4 O2 50.3(8) . .
O1 Si1 O1 180.0(11) 6_445 10
O1 Si1 O1 65.6(10) 6_445 .
O1 Si1 O1 114.4(10) 10 .
O1 Si1 O1 114.4(10) 6_445 13_445
O1 Si1 O1 65.6(10) 10 13_445
O1 Si1 O1 180.0(11) . 13_445
O1 Si1 O2 68.7(7) 6_445 .
O1 Si1 O2 111.3(7) 10 .
O1 Si1 O2 111.3(7) . .
O1 Si1 O2 68.7(7) 13_445 .
O1 Si1 O2 111.3(7) 6_445 13_445
O1 Si1 O2 68.7(7) 10 13_445
O1 Si1 O2 68.7(7) . 13_445
O1 Si1 O2 111.3(7) 13_445 13_445
O2 Si1 O2 180.0(15) . 13_445
O1 Si1 O3 72.3(6) 6_445 13_445
O1 Si1 O3 107.7(6) 10 13_445
O1 Si1 O3 107.7(6) . 13_445
O1 Si1 O3 72.3(6) 13_445 13_445
O2 Si1 O3 103.6(12) . 13_445
O2 Si1 O3 76.4(12) 13_445 13_445
O1 Si1 O3 107.7(6) 6_445 .
O1 Si1 O3 72.3(6) 10 .
O1 Si1 O3 72.3(6) . .
O1 Si1 O3 107.7(6) 13_445 .
O2 Si1 O3 76.4(12) . .
O2 Si1 O3 103.6(12) 13_445 .
O3 Si1 O3 180.0(16) 13_445 .
Si1 O1 O1 57.2(5) . 6_445
Si1 O1 O2 57.2(8) . 13_445
O1 O1 O2 97.7(11) 6_445 13_445
Si1 O1 W2 126.1(8) . .
O1 O1 W2 68.9(3) 6_445 .
O2 O1 W2 136.9(10) 13_445 .
Si1 O1 W3 122.8(8) . .
O1 O1 W3 135.9(12) 6_445 .
O2 O1 W3 65.7(7) 13_445 .
W2 O1 W3 95.1(5) . .
Si1 O1 W1 119.1(7) . .
O1 O1 W1 128.7(12) 6_445 .
O2 O1 W1 123.6(10) 13_445 .
W2 O1 W1 93.6(5) . .
W3 O1 W1 91.7(5) . .
Si1 O2 O1 54.1(7) . 13_445
Si1 O2 O1 54.1(7) . 6_445
O1 O2 O1 93.9(13) 13_445 6_445
Si1 O2 W3 124.1(6) . 6_445
O1 O2 W3 138.9(14) 13_445 6_445
O1 O2 W3 70.0(6) 6_445 6_445
Si1 O2 W3 124.1(6) . 13_445
O1 O2 W3 70.0(6) 13_445 13_445
O1 O2 W3 138.9(14) 6_445 13_445
W3 O2 W3 97.1(9) 6_445 13_445
Si1 O2 W4 116.6(13) . .
O1 O2 W4 125.1(9) 13_445 .
O1 O2 W4 125.1(9) 6_445 .
W3 O2 W4 93.7(6) 6_445 .
W3 O2 W4 93.7(6) 13_445 .
Si1 O3 W1 121.2(7) . 10
Si1 O3 W1 121.2(7) . .
W1 O3 W1 98.3(9) 10 .
Si1 O3 W4 116.8(12) . .
W1 O3 W4 97.0(7) 10 .
W1 O3 W4 97.0(7) . .
W1 O5 W1 137.0(15) . 10
W3 O6 W4 135.7(8) . 13_445
W1 O7 W4 138.7(10) . .
W2 O8 W1 138.9(8) . .
W3 O9 W3 136.1(16) . 10
W2 O10 W3 137.1(8) . .
W3 O11 W1 137.8(6) . .
N1 Cu1 N1 180.000(1) 2_455 .
N1 Cu1 N4 90.0 2_455 3_454
N1 Cu1 N4 90.0 . 3_454
N1 Cu1 N4 90.0 2_455 .
N1 Cu1 N4 90.0 . .
N4 Cu1 N4 180.0 3_454 .
N1 Cu1 O6W 90.0 2_455 5_455
N1 Cu1 O6W 90.000(1) . 5_455
N4 Cu1 O6W 90.0 3_454 5_455
N4 Cu1 O6W 90.0 . 5_455
N2 Cu2 N2 180.000(3) 2_445 .
N2 Cu2 N3 90.0 2_445 3_454
N2 Cu2 N3 90.0 . 3_454
N2 Cu2 N3 90.0 2_445 .
N2 Cu2 N3 90.0 . .
N3 Cu2 N3 180.000(1) 3_454 .
N2 Cu2 O1W 90.000(2) 2_445 2_445
N2 Cu2 O1W 90.000(1) . 2_445
N3 Cu2 O1W 90.000(1) 3_454 2_445
N3 Cu2 O1W 90.000(1) . 2_445
N2 Cu2 O1W 90.000(1) 2_445 .
N2 Cu2 O1W 90.000(2) . .
N3 Cu2 O1W 90.000(1) 3_454 .
N3 Cu2 O1W 90.000(1) . .
O1W Cu2 O1W 180.0 2_445 .
C1 N1 C1 115.5(14) 3_454 .
C1 N1 Cu1 122.2(7) 3_454 .
C1 N1 Cu1 122.2(7) . .
N1 C1 C2 125.6(12) . .
C1 C2 C3 117.7(12) . .
C2 C3 C2 117.8(15) 3_454 .
C2 C3 C4 121.1(7) 3_454 .
C2 C3 C4 121.1(7) . .
C5 C4 C5 115.8(15) 3_454 .
C5 C4 C3 122.1(8) 3_454 .
C5 C4 C3 122.1(8) . .
C6 C5 C4 120.8(11) . .
N2 C6 C5 122.1(11) . .
C6 N2 C6 118.2(14) . 3_454
C6 N2 Cu2 120.9(7) . .
C6 N2 Cu2 120.9(7) 3_454 .
C11 N3 C11 116.5(14) . 2_445
C11 N3 Cu2 121.8(7) . .
C11 N3 Cu2 121.8(7) 2_445 .
N3 C11 C12 122.7(12) . .
C11 C12 C13 121.5(12) . .
C12 C13 C12 115.0(15) . 2_445
C12 C13 C13 122.5(8) . 9_445
C12 C13 C13 122.5(8) 2_445 9_445
C15 C14 C15 115.5(17) 2_455 .
C15 C14 C14 122.3(8) 2_455 9_455
C15 C14 C14 122.3(8) . 9_455
C16 C15 C14 121.3(16) . .
C15 C16 N4 122.6(16) . .
C16 N4 C16 116.7(16) . 2_455
C16 N4 Cu1 121.7(8) . .
C16 N4 Cu1 121.7(8) 2_455 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O13 1.684(9) .
W1 O7 1.878(10) .
W1 O8 1.888(12) .
W1 O5 1.889(10) .
W1 O11 1.909(10) .
W1 O3 2.324(16) .
W1 O1 2.489(14) .
W2 O4 1.710(15) .
W2 O8 1.887(9) .
W2 O8 1.887(9) 6_445
W2 O10 1.895(9) .
W2 O10 1.895(9) 6_445
W2 O1 2.360(14) .
W2 O1 2.360(14) 6_445
W3 O12 1.704(10) .
W3 O11 1.873(9) .
W3 O6 1.885(9) .
W3 O10 1.902(11) .
W3 O9 1.903(11) .
W3 O2 2.356(16) 13_445
W3 O1 2.429(15) .
W4 O14 1.690(12) .
W4 O7 1.901(13) 10
W4 O7 1.901(13) .
W4 O6 1.919(13) 6_445
W4 O6 1.919(13) 13_445
W4 O3 2.40(2) .
W4 O2 2.47(2) .
Si1 O1 1.573(14) 6_445
Si1 O1 1.573(14) 10
Si1 O1 1.573(14) .
Si1 O1 1.573(14) 13_445
Si1 O2 1.63(2) .
Si1 O2 1.63(2) 13_445
Si1 O3 1.72(2) 13_445
Si1 O3 1.72(2) .
O1 O1 1.70(3) 6_445
O1 O2 1.81(2) 13_445
O2 O1 1.81(2) 13_445
O2 O1 1.81(2) 6_445
O2 W3 2.356(16) 6_445
O2 W3 2.356(16) 13_445
O3 W1 2.324(16) 10
O5 W1 1.889(10) 10
O6 W4 1.919(13) 13_445
O9 W3 1.903(11) 10
Cu1 N1 1.989(14) 2_455
Cu1 N1 1.989(14) .
Cu1 N4 2.005(13) 3_454
Cu1 N4 2.005(13) .
Cu1 O6W 2.865(11) 5_455
Cu2 N2 1.994(13) 2_445
Cu2 N2 1.994(13) .
Cu2 N3 2.008(14) 3_454
Cu2 N3 2.008(14) .
Cu2 O1W 2.408(13) 2_445
Cu2 O1W 2.408(13) .
N1 C1 1.333(15) 3_454
N1 C1 1.333(15) .
C1 C2 1.371(17) .
C2 C3 1.410(14) .
C3 C2 1.410(14) 3_454
C3 C4 1.46(2) .
C4 C5 1.407(14) 3_454
C4 C5 1.407(14) .
C5 C6 1.382(16) .
C6 N2 1.355(13) .
N2 C6 1.355(13) 3_454
N3 C11 1.351(14) .
N3 C11 1.351(14) 2_445
C11 C12 1.359(16) .
C12 C13 1.389(15) .
C13 C12 1.389(15) 2_445
C13 C13 1.47(3) 9_445
C14 C15 1.396(19) 2_455
C14 C15 1.396(19) .
C14 C14 1.48(3) 9_455
C15 C16 1.36(2) .
C16 N4 1.362(19) .
N4 C16 1.362(19) 2_455
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1W H1WA O7W 0.95(13) 1.90(14) 2.839(14) 175(14) 4_544
O2W H2WA O4W 0.85 2.11 2.86(3) 147.4 .
O2W H2WB O3W 0.85 1.90 2.75(2) 173.6 .
O3W H3WA O13 0.85 2.15 2.991(18) 169.4 5_545
O3W H3WB O3W 0.85 2.10 2.91(3) 160.9 10
O3W H3WC O5W 0.85 1.92 2.75(3) 167.0 6_435
O4W H4WA O9 0.85 2.55 3.06(4) 119.9 13_445
O5W H5WA O2W 0.85 2.11 2.77(3) 133.9 .
O5W H5WB O14 0.85 2.29 3.00(2) 141.3 9_445
O6W H6WA O7W 0.85 1.98 2.829(13) 175.1 .
O7W H7WA O2W 0.85 2.03 2.86(2) 164.6 .
O7W H7WB O10 0.85 2.45 3.26(2) 159.7 7_444
