#------------------------------------------------------------------------------
#$Date: 2016-03-23 20:59:17 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179434 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/31/4333190.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_4333190
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            'C60 H63 Cu2 N12 O48 Si W12'
_chemical_formula_weight         4081.59
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           36
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'C 2c -2c'
_symmetry_space_group_name_H-M   'C c m 21'
_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                   22.098(4)
_cell_length_b                   22.769(4)
_cell_length_c                   16.907(3)
_cell_measurement_reflns_used    37403
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.16
_cell_measurement_theta_min      2.84
_cell_volume                     8507(3)
_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 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Smart Apex 2000'
_diffrn_measurement_method       'omega scan'
_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  0.0366
_diffrn_reflns_av_sigmaI/netI    0.0351
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            35300
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         1.28
_exptl_absorpt_coefficient_mu    16.757
_exptl_absorpt_correction_type   sadabs
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    3.187
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             7404
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.147
_refine_diff_density_min         -2.245
_refine_diff_density_rms         0.262
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     615
_refine_ls_number_reflns         9476
_refine_ls_number_restraints     60
_refine_ls_restrained_S_all      1.085
_refine_ls_R_factor_all          0.0431
_refine_ls_R_factor_gt           0.0404
_refine_ls_shift/su_max          0.037
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0069P)²+390.6822P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0838
_refine_ls_wR_factor_ref         0.0847
_reflns_number_gt                8938
_reflns_number_total             9476
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic061664ysup8.cif
_cod_data_source_block           p
_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_cell_volume        8507(2)
_cod_original_sg_symbol_H-M      Ccm2(1)
_cod_database_code               4333190
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x, y, z+1/2'
'x, -y, 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+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
W1 W 0.303109(17) 0.425671(16) -0.15229(2) 0.02267(8) Uani 1 1 d .
W2 W 0.199477(17) 0.420854(17) -0.48606(2) 0.02454(9) Uani 1 1 d .
W3 W 0.24989(2) 0.347040(12) -0.32448(3) 0.02033(6) Uani 1 1 d .
W4 W 0.16972(3) 0.5000 -0.14659(4) 0.03128(14) Uani 1 2 d S
W5 W 0.34247(3) 0.5000 -0.49163(3) 0.03065(14) Uani 1 2 d S
W6 W 0.392798(17) 0.425726(16) -0.33196(2) 0.02674(9) Uani 1 1 d .
W7 W 0.115534(17) 0.420825(17) -0.31772(2) 0.02826(10) Uani 1 1 d .
Si1 Si 0.25222(16) 0.5000 -0.3196(2) 0.0156(6) Uani 1 2 d SD
O1 O 0.3179(3) 0.5000 -0.3549(5) 0.0237(11) Uani 0.81 2 d SPD
O2 O 0.2199(2) 0.4434(2) -0.3494(3) 0.0237(11) Uani 1 1 d D
O3 O 0.2558(3) 0.5000 -0.2287(3) 0.0237(11) Uani 1.19 2 d SPD
O7 O 0.3733(5) 0.5000 -0.5806(6) 0.035(3) Uani 1 2 d S
O9 O 0.3317(4) 0.3811(4) -0.0812(4) 0.040(2) Uani 1 1 d .
O10 O 0.4547(3) 0.3815(3) -0.3271(5) 0.0368(19) Uani 1 1 d .
O11 O 0.2566(4) 0.2720(3) -0.3165(5) 0.0333(16) Uani 1 1 d .
O12 O 0.0460(3) 0.3906(3) -0.3064(5) 0.038(2) Uani 1 1 d U
O24 O 0.1190(5) 0.5000 -0.0701(7) 0.041(3) Uani 1 2 d S
O4 O 0.1635(3) 0.3511(3) -0.2989(4) 0.0270(17) Uani 1 1 d .
O5 O 0.3656(3) 0.4302(3) -0.2265(4) 0.0318(18) Uani 1 1 d .
O6 O 0.3287(4) 0.5000 -0.1086(6) 0.034(3) Uani 1 2 d S
O8 O 0.4341(4) 0.5000 -0.3179(6) 0.026(2) Uani 1 2 d S
O13 O 0.3293(3) 0.3697(3) -0.3466(5) 0.038(2) Uani 1 1 d .
O14 O 0.2315(3) 0.3508(3) -0.4311(4) 0.0266(16) Uani 1 1 d U
O15 O 0.2809(3) 0.4431(4) -0.4992(5) 0.042(2) Uani 1 1 d .
O16 O 0.1000(5) 0.5000 -0.3371(7) 0.042(3) Uani 1 2 d S
O17 O 0.2245(3) 0.4411(3) -0.1042(4) 0.0298(17) Uani 1 1 d .
O18 O 0.1398(3) 0.4433(3) -0.2141(3) 0.0279(17) Uani 1 1 d .
O19 O 0.2655(3) 0.3730(3) -0.2199(4) 0.0277(17) Uani 1 1 d .
O20 O 0.1761(5) 0.5000 -0.4980(7) 0.055(3) Uani 1 2 d S
O21 O 0.1258(3) 0.4094(3) -0.4283(4) 0.0323(19) Uani 1 1 d .
O22 O 0.3952(3) 0.4410(3) -0.4423(4) 0.0305(18) Uani 1 1 d .
O23 O 0.1787(4) 0.3907(4) -0.5723(5) 0.050(2) Uani 1 1 d .
Cu1 Cu -0.01897(4) 0.25012(7) -0.07313(10) 0.0221(2) Uani 1 1 d .
N1 N -0.1089(3) 0.2498(5) -0.0727(7) 0.0223(14) Uani 1 1 d .
C1 C -0.1395(4) 0.2529(4) -0.1387(6) 0.026(2) Uani 1 1 d .
H1A H -0.1176 0.2568 -0.1867 0.031 Uiso 1 1 calc R
C2 C -0.2025(4) 0.2508(4) -0.1424(5) 0.024(2) Uani 1 1 d .
H2A H -0.2227 0.2516 -0.1920 0.029 Uiso 1 1 calc R
C3 C -0.2353(3) 0.2475(5) -0.0726(8) 0.0216(18) Uani 1 1 d .
C4 C -0.2018(4) 0.2453(4) -0.0032(6) 0.027(2) Uani 1 1 d .
H4A H -0.2219 0.2422 0.0463 0.033 Uiso 1 1 calc R
C5 C -0.1413(4) 0.2476(5) -0.0055(7) 0.029(3) Uani 1 1 d .
H5A H -0.1199 0.2478 0.0433 0.035 Uiso 1 1 calc R
C6 C -0.3019(3) 0.2462(5) -0.0714(8) 0.0229(18) Uani 1 1 d .
C7 C -0.3337(4) 0.2065(5) -0.1145(7) 0.037(3) Uani 1 1 d .
H7A H -0.3133 0.1768 -0.1436 0.045 Uiso 1 1 calc R
C8 C -0.3977(4) 0.2102(5) -0.1152(6) 0.032(3) Uani 1 1 d .
H8A H -0.4197 0.1831 -0.1468 0.038 Uiso 1 1 calc R
C9 C -0.3956(4) 0.2885(5) -0.0322(6) 0.024(2) Uani 1 1 d .
H9A H -0.4168 0.3183 -0.0043 0.029 Uiso 1 1 calc R
C10 C -0.3348(4) 0.2881(5) -0.0273(5) 0.023(2) Uani 1 1 d .
H10A H -0.3143 0.3155 0.0055 0.028 Uiso 1 1 calc R
N2 N -0.4282(3) 0.2497(5) -0.0738(6) 0.0231(15) Uani 1 1 d .
N3 N -0.0199(3) 0.3437(3) -0.0749(5) 0.025(2) Uani 1 1 d .
C11 C -0.0305(5) 0.3758(5) -0.1406(7) 0.037(2) Uani 1 1 d U
H11A H -0.0385 0.3548 -0.1880 0.045 Uiso 1 1 calc R
C12 C -0.0308(4) 0.4338(4) -0.1448(7) 0.035(3) Uani 1 1 d .
H12A H -0.0383 0.4528 -0.1939 0.042 Uiso 1 1 calc R
C13 C -0.0196(4) 0.4688(4) -0.0735(6) 0.029(3) Uani 1 1 d .
C14 C -0.0063(5) 0.4358(4) -0.0072(6) 0.026(2) Uani 1 1 d U
H14A H 0.0046 0.4557 0.0401 0.032 Uiso 1 1 calc R
C15 C -0.0082(5) 0.3727(5) -0.0066(7) 0.039(3) Uani 1 1 d .
H15A H -0.0013 0.3516 0.0410 0.047 Uiso 1 1 calc R
N4 N -0.0200(3) 0.1571(3) -0.0716(5) 0.026(2) Uani 1 1 d .
C16 C -0.0087(5) 0.1246(4) -0.1320(5) 0.024(2) Uani 1 1 d .
H16A H 0.0019 0.1442 -0.1796 0.029 Uiso 1 1 calc R
C17 C -0.0104(7) 0.0650(5) -0.1342(8) 0.054(4) Uani 1 1 d .
H17A H -0.0054 0.0454 -0.1834 0.065 Uiso 1 1 calc R
C18 C -0.0192(4) 0.0330(4) -0.0679(7) 0.025(3) Uani 1 1 d .
C19 C -0.0297(6) 0.0650(5) -0.0046(7) 0.046(4) Uani 1 1 d .
H19A H -0.0381 0.0460 0.0441 0.056 Uiso 1 1 calc R
C20 C -0.0287(5) 0.1265(4) -0.0074(8) 0.039(3) Uani 1 1 d .
H20A H -0.0347 0.1472 0.0407 0.047 Uiso 1 1 calc R
N5 N 0.1543(6) 0.3464(3) 0.1600(4) 0.086(5) Uani 1 1 d D
C21 C 0.1608(12) 0.3781(3) 0.0918(6) 0.141(6) Uani 1 1 d DU
H21A H 0.1688 0.3584 0.0434 0.169 Uiso 1 1 calc R
C22 C 0.1560(9) 0.4386(3) 0.0927(5) 0.102(7) Uani 1 1 d D
H22A H 0.1484 0.4593 0.0449 0.122 Uiso 1 1 calc R
C23 C 0.1621(6) 0.4689(3) 0.1626(4) 0.067(5) Uani 1 1 d D
C24 C 0.1768(7) 0.4363(3) 0.2294(5) 0.067(5) Uani 1 1 d D
H24A H 0.1942 0.4546 0.2745 0.081 Uiso 1 1 calc R
C25 C 0.1658(9) 0.3765(3) 0.2289(6) 0.106(8) Uani 1 1 d D
H25A H 0.1661 0.3556 0.2775 0.127 Uiso 1 1 calc R
N6 N -0.1590(6) 0.1561(3) 0.1811(4) 0.096(6) Uani 1 1 d D
C31 C -0.1490(9) 0.1263(3) 0.2499(6) 0.094(6) Uani 1 1 d D
H31A H -0.1342 0.1473 0.2944 0.112 Uiso 1 1 calc R
C32 C -0.1596(12) 0.0668(3) 0.2571(4) 0.135(10) Uani 1 1 d D
H32A H -0.1627 0.0493 0.3080 0.162 Uiso 1 1 calc R
C33 C -0.1658(5) 0.0329(3) 0.1900(4) 0.046(3) Uani 1 1 d D
C34 C -0.1653(9) 0.0620(3) 0.1183(5) 0.088(6) Uani 1 1 d D
H34A H -0.1607 0.0405 0.0706 0.106 Uiso 1 1 calc R
C35 C -0.1715(7) 0.1223(3) 0.1161(6) 0.098(7) Uani 1 1 d D
H35A H -0.1846 0.1407 0.0687 0.117 Uiso 0.50 1 calc PR
O1W O 0.0103(3) 0.2502(3) 0.2822(4) 0.037(2) Uani 1 1 d .
H1WB H -0.0234 0.2371 0.2655 0.044 Uiso 1 1 d R
H1WA H 0.0397 0.2332 0.2592 0.044 Uiso 1 1 d R
O2W O -0.0079(3) 0.2517(3) 0.0698(4) 0.0301(19) Uani 1 1 d .
H2WB H 0.0242 0.2347 0.0857 0.036 Uiso 1 1 d R
H2WA H -0.0387 0.2386 0.0941 0.036 Uiso 1 1 d R
O3W O -0.0917(3) 0.2539(3) 0.1909(4) 0.0276(17) Uani 1 1 d .
H3WA H -0.1116 0.2857 0.1941 0.033 Uiso 1 1 d R
H3WB H -0.1144 0.2239 0.1942 0.033 Uiso 1 1 d R
O4W O 0.0974(3) 0.2420(3) 0.1608(6) 0.044(2) Uani 1 1 d .
H4WA H 0.1159 0.2094 0.1577 0.053 Uiso 1 1 d R
H4WB H 0.1212 0.2711 0.1572 0.053 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
O9 W1 O19 102.5(3) . .
O9 W1 O5 103.5(4) . .
O19 W1 O5 87.3(3) . .
O9 W1 O6 98.3(4) . .
O19 W1 O6 159.1(4) . .
O5 W1 O6 89.6(4) . .
O9 W1 O17 98.3(3) . .
O19 W1 O17 88.5(3) . .
O5 W1 O17 158.2(3) . .
O6 W1 O17 86.7(3) . .
O9 W1 O3 167.8(3) . .
O19 W1 O3 85.9(2) . .
O5 W1 O3 85.5(3) . .
O6 W1 O3 73.3(3) . .
O17 W1 O3 72.9(3) . .
O23 W2 O15 105.6(4) . .
O23 W2 O20 102.9(5) . .
O15 W2 O20 89.5(4) . .
O23 W2 O21 98.9(4) . .
O15 W2 O21 155.3(3) . .
O20 W2 O21 87.2(4) . .
O23 W2 O14 100.1(4) . .
O15 W2 O14 86.0(3) . .
O20 W2 O14 156.9(4) . .
O21 W2 O14 87.4(3) . .
O23 W2 O2 166.6(3) . .
O15 W2 O2 82.9(3) . .
O20 W2 O2 87.2(4) . .
O21 W2 O2 72.5(2) . .
O14 W2 O2 69.7(2) . .
O11 W3 O14 98.1(4) . .
O11 W3 O13 102.1(4) . .
O14 W3 O13 89.9(3) . .
O11 W3 O19 102.8(4) . .
O14 W3 O19 159.1(3) . .
O13 W3 O19 86.0(3) . .
O11 W3 O4 96.5(3) . .
O14 W3 O4 89.9(3) . .
O13 W3 O4 161.2(3) . .
O19 W3 O4 87.5(3) . .
O11 W3 O2 166.8(3) . .
O14 W3 O2 73.6(2) . .
O13 W3 O2 88.3(3) . .
O19 W3 O2 85.8(2) . .
O4 W3 O2 73.6(2) . .
O24 W4 O18 103.4(4) . .
O24 W4 O18 103.4(4) . 4_565
O18 W4 O18 88.8(4) . 4_565
O24 W4 O17 97.4(4) . 4_565
O18 W4 O17 159.1(3) . 4_565
O18 W4 O17 88.2(3) 4_565 4_565
O24 W4 O17 97.4(4) . .
O18 W4 O17 88.2(3) . .
O18 W4 O17 159.1(3) 4_565 .
O17 W4 O17 87.3(4) 4_565 .
O24 W4 O3 167.0(4) . .
O18 W4 O3 85.7(2) . .
O18 W4 O3 85.7(2) 4_565 .
O17 W4 O3 73.4(2) 4_565 .
O17 W4 O3 73.4(2) . .
O7 W5 O15 103.7(3) . .
O7 W5 O15 103.7(3) . 4_565
O15 W5 O15 86.9(5) . 4_565
O7 W5 O22 98.2(3) . 4_565
O15 W5 O22 158.1(3) . 4_565
O15 W5 O22 89.2(3) 4_565 4_565
O7 W5 O22 98.2(3) . .
O15 W5 O22 89.2(3) . .
O15 W5 O22 158.1(3) 4_565 .
O22 W5 O22 86.3(4) 4_565 .
O7 W5 O1 168.8(4) . .
O15 W5 O1 84.3(3) . .
O15 W5 O1 84.3(3) 4_565 .
O22 W5 O1 73.9(2) 4_565 .
O22 W5 O1 73.9(2) . .
O10 W6 O5 104.0(4) . .
O10 W6 O22 97.7(4) . .
O5 W6 O22 158.2(3) . .
O10 W6 O13 101.7(3) . .
O5 W6 O13 85.7(3) . .
O22 W6 O13 90.9(3) . .
O10 W6 O8 97.6(3) . .
O5 W6 O8 89.2(4) . .
O22 W6 O8 87.0(3) . .
O13 W6 O8 160.7(3) . .
O10 W6 O1 168.7(3) . .
O5 W6 O1 84.0(3) . .
O22 W6 O1 74.4(3) . .
O13 W6 O1 86.7(3) . .
O8 W6 O1 74.2(2) . .
O12 W7 O16 104.2(4) . .
O12 W7 O21 99.4(4) . .
O16 W7 O21 88.9(4) . .
O12 W7 O18 105.1(4) . .
O16 W7 O18 87.4(4) . .
O21 W7 O18 155.4(3) . .
O12 W7 O4 98.4(3) . .
O16 W7 O4 157.4(4) . .
O21 W7 O4 89.1(3) . .
O18 W7 O4 85.1(3) . .
O12 W7 O2 166.9(3) . .
O16 W7 O2 86.1(4) . .
O21 W7 O2 72.4(2) . .
O18 W7 O2 83.1(2) . .
O4 W7 O2 71.8(2) . .
O3 Si1 O2 110.3(3) . .
O3 Si1 O2 110.3(3) . 4_565
O2 Si1 O2 111.7(5) . 4_565
O3 Si1 O1 109.4(5) . .
O2 Si1 O1 107.5(3) . .
O2 Si1 O1 107.5(3) 4_565 .
Si1 O1 W5 125.5(5) . .
Si1 O1 W6 125.2(3) . 4_565
W5 O1 W6 90.0(2) . 4_565
Si1 O1 W6 125.2(3) . .
W5 O1 W6 90.0(2) . .
W6 O1 W6 89.7(2) 4_565 .
Si1 O2 W3 126.2(3) . .
Si1 O2 W2 125.0(3) . .
W3 O2 W2 91.54(17) . .
Si1 O2 W7 122.6(3) . .
W3 O2 W7 91.78(17) . .
W2 O2 W7 89.34(17) . .
Si1 O3 W4 123.1(4) . .
Si1 O3 W1 124.5(2) . 4_565
W4 O3 W1 92.02(15) . 4_565
Si1 O3 W1 124.5(2) . .
W4 O3 W1 92.02(15) . .
W1 O3 W1 91.1(2) 4_565 .
W7 O4 W3 122.5(4) . .
W1 O5 W6 150.2(4) . .
W1 O6 W1 122.4(6) . 4_565
W6 O8 W6 121.8(4) . 4_565
W3 O13 W6 148.0(4) . .
W3 O14 W2 125.0(3) . .
W2 O15 W5 150.2(5) . .
W7 O16 W7 150.5(7) 4_565 .
W4 O17 W1 121.7(4) . .
W4 O18 W7 149.1(4) . .
W1 O19 W3 149.1(4) . .
W2 O20 W2 145.8(7) 4_565 .
W7 O21 W2 125.7(4) . .
W6 O22 W5 121.8(4) . .
N1 Cu1 N2 179.9(5) . 8
N1 Cu1 N4 89.2(4) . .
N2 Cu1 N4 90.8(4) 8 .
N1 Cu1 N3 89.6(4) . .
N2 Cu1 N3 90.4(4) 8 .
N4 Cu1 N3 178.8(3) . .
N1 Cu1 O2W 95.6(4) . .
N2 Cu1 O2W 84.5(4) 8 .
N4 Cu1 O2W 90.2(3) . .
N3 Cu1 O2W 90.0(3) . .
N1 Cu1 O1W 94.7(4) . 3_554
N2 Cu1 O1W 85.2(4) 8 3_554
N4 Cu1 O1W 90.8(3) . 3_554
N3 Cu1 O1W 89.2(3) . 3_554
O2W Cu1 O1W 169.7(2) . 3_554
C1 N1 C5 116.6(7) . .
C1 N1 Cu1 121.0(8) . .
C5 N1 Cu1 122.4(8) . .
N1 C1 C2 123.7(9) . .
C3 C2 C1 119.0(8) . .
C2 C3 C4 116.2(7) . .
C2 C3 C6 122.3(11) . .
C4 C3 C6 121.4(11) . .
C5 C4 C3 120.5(10) . .
C4 C5 N1 123.9(10) . .
C7 C6 C10 117.9(7) . .
C7 C6 C3 121.5(11) . .
C10 C6 C3 120.6(10) . .
C6 C7 C8 118.8(10) . .
N2 C8 C7 122.9(10) . .
N2 C9 C10 124.3(9) . .
C9 C10 C6 119.0(9) . .
C8 N2 C9 116.9(7) . .
C8 N2 Cu1 120.9(7) . 8_455
C9 N2 Cu1 122.2(7) . 8_455
C11 N3 C15 118.1(9) . .
C11 N3 Cu1 123.7(7) . .
C15 N3 Cu1 118.2(7) . .
C12 C11 N3 125.9(11) . .
C11 C12 C13 119.8(11) . .
C14 C13 C13 122.9(6) . 4_565
C14 C13 C12 114.1(9) . .
C13 C13 C12 122.9(6) 4_565 .
C13 C14 C15 122.8(9) . .
N3 C15 C14 119.1(10) . .
C16 N4 C20 112.5(8) . .
C16 N4 Cu1 124.3(7) . .
C20 N4 Cu1 123.1(7) . .
N4 C16 C17 126.2(10) . .
C18 C17 C16 121.4(12) . .
C19 C18 C17 113.6(10) . .
C19 C18 C18 123.7(7) . 4
C17 C18 C18 122.7(7) . 4
C18 C19 C20 121.6(11) . .
N4 C20 C19 124.3(11) . .
C21 N5 C25 115.5(8) . .
N5 C21 C22 120.6(9) . .
C23 C22 C21 120.1(8) . .
C22 C23 C24 116.9(7) . .
C22 C23 C23 120.1(4) . 4_565
C24 C23 C23 122.3(4) . 4_565
C25 C24 C23 118.7(8) . .
N5 C25 C24 121.9(8) . .
C31 N6 C35 116.0(7) . .
N6 C31 C32 122.4(8) . .
C33 C32 C31 119.5(7) . .
C32 C33 C34 116.9(7) . .
C32 C33 C33 124.0(4) . 4
C34 C33 C33 118.7(4) . 4
C35 C34 C33 120.1(8) . .
N6 C35 C34 121.1(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O9 1.695(7) .
W1 O19 1.854(6) .
W1 O5 1.868(6) .
W1 O6 1.931(5) .
W1 O17 1.950(7) .
W1 O3 2.371(4) .
W2 O23 1.677(9) .
W2 O15 1.881(7) .
W2 O20 1.885(4) .
W2 O21 1.916(7) .
W2 O14 1.977(7) .
W2 O2 2.409(5) .
W3 O11 1.719(6) .
W3 O14 1.850(7) .
W3 O13 1.867(7) .
W3 O19 1.896(6) .
W3 O4 1.959(6) .
W3 O2 2.329(5) .
W4 O24 1.711(11) .
W4 O18 1.847(6) .
W4 O18 1.847(6) 4_565
W4 O17 1.944(7) 4_565
W4 O17 1.944(7) .
W4 O3 2.355(6) .
W5 O7 1.651(10) .
W5 O15 1.884(7) .
W5 O15 1.884(7) 4_565
W5 O22 1.964(7) 4_565
W5 O22 1.964(7) .
W5 O1 2.375(8) .
W6 O10 1.701(6) .
W6 O5 1.885(7) .
W6 O22 1.899(7) .
W6 O13 1.912(7) .
W6 O8 1.936(4) .
W6 O1 2.397(5) .
W7 O12 1.696(7) .
W7 O16 1.864(3) .
W7 O21 1.901(7) .
W7 O18 1.902(6) .
W7 O4 1.934(7) .
W7 O2 2.424(5) .
Si1 O3 1.539(6) .
Si1 O2 1.558(5) .
Si1 O2 1.558(5) 4_565
Si1 O1 1.570(6) .
O1 W6 2.397(5) 4_565
O3 W1 2.371(4) 4_565
O6 W1 1.931(5) 4_565
O8 W6 1.936(4) 4_565
O16 W7 1.864(3) 4_565
O20 W2 1.885(4) 4_565
Cu1 N1 1.986(6) .
Cu1 N2 2.007(6) 8
Cu1 N4 2.119(8) .
Cu1 N3 2.131(8) .
Cu1 O2W 2.429(8) .
Cu1 O1W 2.453(7) 3_554
N1 C1 1.306(15) .
N1 C5 1.345(15) .
C1 C2 1.395(13) .
C2 C3 1.388(15) .
C3 C4 1.389(16) .
C3 C6 1.472(10) .
C4 C5 1.339(14) .
C6 C7 1.356(16) .
C6 C10 1.411(15) .
C7 C8 1.418(13) .
C8 N2 1.322(14) .
C9 N2 1.340(14) .
C9 C10 1.347(13) .
N2 Cu1 2.007(6) 8_455
N3 C11 1.349(14) .
N3 C15 1.355(14) .
C11 C12 1.324(14) .
C12 C13 1.466(15) .
C13 C14 1.380(14) .
C13 C13 1.42(2) 4_565
C14 C15 1.439(13) .
N4 C16 1.285(13) .
N4 C20 1.304(15) .
C16 C17 1.359(14) .
C17 C18 1.351(17) .
C18 C19 1.316(16) .
C18 C18 1.501(17) 4
C19 C20 1.401(15) .
N5 C21 1.368(8) .
N5 C25 1.374(8) .
C21 C22 1.382(8) .
C22 C23 1.376(8) .
C23 C24 1.391(8) .
C23 C23 1.415(15) 4_565
C24 C25 1.383(8) .
N6 C31 1.364(8) .
N6 C35 1.369(8) .
C31 C32 1.380(8) .
C32 C33 1.379(8) .
C33 C34 1.381(8) .
C33 C33 1.498(14) 4
C34 C35 1.380(8) .
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 H1WB O3W 0.85 2.00 2.733(10) 143.2 .
O1W H1WA O4W 0.85 2.11 2.820(12) 141.3 .
O2W H2WB O4W 0.85 2.06 2.797(11) 144.1 .
O2W H2WA O3W 0.85 2.04 2.762(10) 142.0 .
O3W H3WA O4 0.85 1.88 2.730(9) 173.7 3
O3W H3WB N6 0.85 1.85 2.685(11) 168.6 .
O4W H4WA O13 0.85 2.17 3.019(11) 174.7 6
O4W H4WA O10 0.85 2.60 3.045(10) 113.5 6
O4W H4WB N5 0.85 1.86 2.690(11) 163.7 .
