#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:45:22 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180052 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/46/7034664.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_7034664
loop_
_publ_author_name
'Zhao, De-Chuan'
'Hu, Yang-Yang'
'Ding, Hong'
'Guo, Hai-Yang'
'Cui, Xiao-Bing'
'Zhang, Xiao'
'Huo, Qi-Sheng'
'Xu, Ji-Qing'
_publ_section_title
;
 Polyoxometalate-based organic-inorganic hybrid compounds containing
 transition metal mixed-organic-ligand complexes of N-containing and
 pyridinecarboxylate ligands.
;
_journal_issue                   19
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8971
_journal_page_last               8983
_journal_paper_doi               10.1039/c5dt00201j
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C52 H40 Cl2 Cu4 N10 O46 Si W12'
_chemical_formula_weight         4100.29
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-03-09 deposited with the CCDC.
2015-03-30 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.953(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.070(4)
_cell_length_b                   13.496(3)
_cell_length_c                   18.814(5)
_cell_measurement_reflns_used    10087
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      35.28
_cell_measurement_theta_min      2.20
_cell_volume                     3826.0(17)
_computing_data_collection       'Bruker XSCANS'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker P4'
_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  0.0379
_diffrn_reflns_av_unetI/netI     0.0408
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            15229
_diffrn_reflns_theta_full        25.84
_diffrn_reflns_theta_max         25.84
_diffrn_reflns_theta_min         1.86
_exptl_absorpt_coefficient_mu    19.232
_exptl_absorpt_correction_T_max  0.1071
_exptl_absorpt_correction_T_min  0.0687
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    3.559
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3684
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.21
_refine_diff_density_max         3.604
_refine_diff_density_min         -2.689
_refine_diff_density_rms         0.493
_refine_ls_extinction_coef       0.00025(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     593
_refine_ls_number_reflns         7252
_refine_ls_number_restraints     542
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.1086
_refine_ls_R_factor_gt           0.1076
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0001P)²+1223.2614P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2300
_refine_ls_wR_factor_ref         0.2304
_reflns_number_gt                7110
_reflns_number_total             7252
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt00201j2.cif
_cod_data_source_block           k3
_cod_depositor_comments
'Adding full bibliography for 7034662--7034666.cif.'
_cod_original_cell_volume        3825.9(16)
_cod_original_sg_symbol_H-M      p2(1)/n
_cod_database_code               7034664
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'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 0.58053(9) 1.48224(10) -0.67511(7) 0.0319(3) Uani 1 1 d .
W2 W 0.67646(9) 1.33973(10) -0.53742(7) 0.0311(3) Uani 1 1 d .
W3 W 0.59907(10) 1.36080(10) -0.36248(8) 0.0363(4) Uani 1 1 d U
W4 W 0.70832(9) 1.59958(11) -0.54081(8) 0.0335(3) Uani 1 1 d U
W5 W 0.46911(11) 1.23939(10) -0.49352(8) 0.0374(4) Uani 1 1 d .
W6 W 0.62784(10) 1.62053(11) -0.36707(8) 0.0392(4) Uani 1 1 d .
Si1 Si 0.5000 1.5000 -0.5000 0.030(3) Uani 1 2 d S
O1 O 0.454(3) 1.606(3) -0.520(3) 0.038(6) Uani 0.50 1 d PU
O2 O 0.585(4) 1.482(4) -0.544(3) 0.046(4) Uani 0.50 1 d PU
O3 O 0.475(4) 1.499(4) -0.586(3) 0.042(5) Uani 0.50 1 d PU
O4 O 0.431(3) 1.411(4) -0.515(3) 0.042(5) Uani 0.50 1 d PU
Cu2 Cu 0.8078(3) 1.1129(3) -0.6233(3) 0.0427(11) Uani 1 1 d .
Cu1 Cu 0.8942(3) 0.7977(4) -0.4774(3) 0.0475(12) Uani 1 1 d .
O22 O 0.4510(16) 1.1197(15) -0.4910(11) 0.030(5) Uani 1 1 d U
O21 O 0.7619(17) 1.2679(18) -0.5552(13) 0.042(5) Uani 1 1 d U
O20 O 0.6898(14) 1.6764(19) -0.3040(12) 0.038(5) Uani 1 1 d U
O18 O 0.6200(19) 1.475(2) -0.7555(15) 0.053(6) Uani 1 1 d U
O19 O 0.8054(18) 1.6509(18) -0.5592(13) 0.044(6) Uani 1 1 d U
O17 O 0.6481(16) 1.2950(19) -0.2950(13) 0.040(5) Uani 1 1 d U
O16 O 0.7345(19) 1.467(2) -0.5305(14) 0.048(4) Uani 1 1 d U
O15 O 0.6618(18) 1.5708(18) -0.6326(14) 0.046(4) Uani 1 1 d U
O14 O 0.683(2) 1.327(2) -0.4332(15) 0.055(4) Uani 1 1 d U
O13 O 0.522(2) 1.603(2) -0.3137(18) 0.058(5) Uani 1 1 d U
O12 O 0.713(2) 1.612(2) -0.4413(16) 0.057(4) Uani 1 1 d U
O11 O 0.6397(19) 1.3716(19) -0.6287(14) 0.047(4) Uani 1 1 d U
O10 O 0.5834(19) 1.246(2) -0.5360(14) 0.051(4) Uani 1 1 d U
O9 O 0.6489(19) 1.488(2) -0.3525(16) 0.054(4) Uani 1 1 d U
O8 O 0.4963(19) 1.411(2) -0.3202(17) 0.055(4) Uani 1 1 d U
O7 O 0.6346(19) 1.709(2) -0.5465(14) 0.049(4) Uani 1 1 d U
O6 O 0.5281(18) 1.257(2) -0.4042(14) 0.051(4) Uani 1 1 d U
O5 O 0.4222(19) 1.269(2) -0.5845(14) 0.048(4) Uani 1 1 d U
Cl1 Cl 0.9526(6) 1.1016(6) -0.5955(5) 0.045(2) Uani 1 1 d .
N4 N 0.8202(18) 1.202(2) -0.7080(14) 0.029(6) Uani 1 1 d U
O41 O 0.8382(18) 0.9038(18) -0.5275(12) 0.041(5) Uani 1 1 d U
N5 N 0.7584(19) 0.901(2) -0.3129(14) 0.038(7) Uani 1 1 d .
O43 O 0.8195(18) 0.8183(17) -0.3960(12) 0.041(6) Uani 1 1 d U
N2 N 0.9480(16) 0.6769(19) -0.4354(13) 0.026(6) Uani 1 1 d .
N1 N 0.9877(16) 0.7792(19) -0.5498(14) 0.025(5) Uani 1 1 d .
C1 C 1.006(2) 0.837(3) -0.6026(17) 0.042(10) Uani 1 1 d .
H1A H 0.9688 0.8908 -0.6117 0.051 Uiso 1 1 calc R
C16 C 0.738(2) 1.220(3) -0.7424(19) 0.037(8) Uani 1 1 d U
N3 N 0.6824(18) 1.1110(19) -0.6581(14) 0.029(6) Uani 1 1 d .
C23 C 0.714(3) 0.985(3) -0.288(2) 0.046(9) Uani 1 1 d U
H23A H 0.6987 0.9888 -0.2406 0.055 Uiso 1 1 calc R
C25 C 0.7650(19) 0.974(2) -0.4271(15) 0.021(6) Uani 1 1 d U
C6 C 1.0164(19) 0.648(2) -0.4712(15) 0.024(6) Uani 1 1 d U
C10 C 0.926(2) 0.636(3) -0.3764(18) 0.034(7) Uani 1 1 d U
H10A H 0.8785 0.6624 -0.3515 0.041 Uiso 1 1 calc R
O40 O 0.768(2) 1.046(2) -0.5383(13) 0.050(6) Uani 1 1 d U
C15 C 0.665(2) 1.168(2) -0.7170(17) 0.030(7) Uani 1 1 d U
C24 C 0.783(2) 0.893(2) -0.3821(17) 0.031(7) Uani 1 1 d U
C20 C 0.892(3) 1.245(3) -0.730(2) 0.054(11) Uani 1 1 d .
H20A H 0.9455 1.2330 -0.7066 0.065 Uiso 1 1 calc R
C5 C 1.042(2) 0.696(3) -0.5323(19) 0.037(8) Uani 1 1 d U
C22 C 0.693(2) 1.058(3) -0.332(2) 0.049(11) Uani 1 1 d .
H22A H 0.6609 1.1124 -0.3158 0.059 Uiso 1 1 calc R
C9 C 0.970(2) 0.555(2) -0.349(2) 0.041(9) Uani 1 1 d .
H9A H 0.9515 0.5252 -0.3072 0.049 Uiso 1 1 calc R
C17 C 0.744(3) 1.287(3) -0.8028(17) 0.050(11) Uani 1 1 d .
H17A H 0.6929 1.3037 -0.8286 0.060 Uiso 1 1 calc R
C18 C 0.822(3) 1.326(3) -0.822(2) 0.046(9) Uani 1 1 d U
H18A H 0.8245 1.3666 -0.8612 0.055 Uiso 1 1 calc R
C11 C 0.614(2) 1.065(2) -0.6271(18) 0.029(7) Uani 1 1 d .
H11A H 0.6233 1.0239 -0.5877 0.034 Uiso 1 1 calc R
C26 C 0.7916(19) 0.977(2) -0.5006(19) 0.031(7) Uani 1 1 d .
C21 C 0.720(2) 1.051(3) -0.402(2) 0.042(9) Uani 1 1 d .
H21A H 0.7053 1.1023 -0.4328 0.051 Uiso 1 1 calc R
C2 C 1.073(3) 0.824(3) -0.643(2) 0.048(10) Uani 1 1 d .
H2A H 1.0845 0.8698 -0.6780 0.058 Uiso 1 1 calc R
C12 C 0.527(2) 1.080(3) -0.6566(19) 0.038(8) Uani 1 1 d U
H12A H 0.4793 1.0464 -0.6369 0.045 Uiso 1 1 calc R
C8 C 1.042(3) 0.519(3) -0.386(2) 0.044(9) Uani 1 1 d U
H8A H 1.0764 0.4675 -0.3682 0.053 Uiso 1 1 calc R
C14 C 0.577(3) 1.182(4) -0.739(2) 0.058(12) Uani 1 1 d .
H14A H 0.5640 1.2243 -0.7771 0.069 Uiso 1 1 calc R
C19 C 0.892(3) 1.306(3) -0.786(2) 0.043(8) Uani 1 1 d U
H19A H 0.9448 1.3357 -0.7989 0.052 Uiso 1 1 calc R
C3 C 1.126(3) 0.745(3) -0.635(2) 0.042(8) Uani 1 1 d U
H3A H 1.1714 0.7333 -0.6665 0.051 Uiso 1 1 calc R
C13 C 0.514(3) 1.135(3) -0.706(2) 0.045(9) Uani 1 1 d .
H13A H 0.4556 1.1440 -0.7216 0.054 Uiso 1 1 calc R
C7 C 1.060(3) 0.558(3) -0.443(2) 0.043(8) Uani 1 1 d U
H7A H 1.1038 0.5287 -0.4703 0.052 Uiso 1 1 calc R
C4 C 1.111(2) 0.680(3) -0.5796(19) 0.038(8) Uani 1 1 d .
H4A H 1.1479 0.6252 -0.5735 0.046 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'
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'
Cl Cl 0.1484 0.1585 '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
O18 W1 O8 103.8(14) . 3_684
O18 W1 O15 100.7(14) . .
O8 W1 O15 85.9(12) 3_684 .
O18 W1 O13 99.5(14) . 3_684
O8 W1 O13 87.9(12) 3_684 3_684
O15 W1 O13 159.7(13) . 3_684
O18 W1 O11 101.5(13) . .
O8 W1 O11 154.7(13) 3_684 .
O15 W1 O11 90.4(11) . .
O13 W1 O11 87.0(12) 3_684 .
O18 W1 O3 158.3(16) . .
O8 W1 O3 61.8(15) 3_684 .
O15 W1 O3 94.5(15) . .
O13 W1 O3 65.6(16) 3_684 .
O11 W1 O3 93.7(15) . .
O18 W1 O2 156.9(16) . .
O8 W1 O2 93.2(16) 3_684 .
O15 W1 O2 64.5(15) . .
O13 W1 O2 96.6(16) 3_684 .
O11 W1 O2 62.9(15) . .
O3 W1 O2 44.8(18) . .
O21 W2 O11 99.9(12) . .
O21 W2 O10 101.1(13) . .
O11 W2 O10 87.6(12) . .
O21 W2 O16 100.4(12) . .
O11 W2 O16 89.1(11) . .
O10 W2 O16 158.5(13) . .
O21 W2 O14 97.0(12) . .
O11 W2 O14 163.0(13) . .
O10 W2 O14 87.4(11) . .
O16 W2 O14 89.7(11) . .
O21 W2 O2 157.2(16) . .
O11 W2 O2 66.1(15) . .
O10 W2 O2 96.3(16) . .
O16 W2 O2 63.0(16) . .
O14 W2 O2 98.4(16) . .
O21 W2 O1 158.1(15) . 3_684
O11 W2 O1 96.4(15) . 3_684
O10 W2 O1 64.9(15) . 3_684
O16 W2 O1 94.4(15) . 3_684
O14 W2 O1 66.8(15) . 3_684
O2 W2 O1 44.6(17) . 3_684
O17 W3 O8 102.9(13) . .
O17 W3 O9 103.5(13) . .
O8 W3 O9 87.6(12) . .
O17 W3 O14 96.2(13) . .
O8 W3 O14 160.6(13) . .
O9 W3 O14 91.1(12) . .
O17 W3 O6 98.8(12) . .
O8 W3 O6 88.9(12) . .
O9 W3 O6 157.6(13) . .
O14 W3 O6 85.0(12) . .
O17 W3 O1 157.2(14) . 3_684
O8 W3 O1 93.3(15) . 3_684
O9 W3 O1 92.9(15) . 3_684
O14 W3 O1 67.4(14) . 3_684
O6 W3 O1 65.2(14) . 3_684
O17 W3 O3 155.0(15) . 3_684
O8 W3 O3 60.4(15) . 3_684
O9 W3 O3 60.1(16) . 3_684
O14 W3 O3 102.4(15) . 3_684
O6 W3 O3 99.2(15) . 3_684
O1 W3 O3 47.8(16) 3_684 3_684
O19 W4 O16 103.8(13) . .
O19 W4 O7 100.7(13) . .
O16 W4 O7 155.3(13) . .
O19 W4 O12 98.7(13) . .
O16 W4 O12 88.7(12) . .
O7 W4 O12 90.1(12) . .
O19 W4 O15 102.1(12) . .
O16 W4 O15 88.4(11) . .
O7 W4 O15 84.1(11) . .
O12 W4 O15 159.1(13) . .
O19 W4 O4 155.4(16) . 3_684
O16 W4 O4 94.7(15) . 3_684
O7 W4 O4 62.6(15) . 3_684
O12 W4 O4 65.3(16) . 3_684
O15 W4 O4 94.4(15) . 3_684
O19 W4 O2 159.7(16) . .
O16 W4 O2 62.2(15) . .
O7 W4 O2 93.4(16) . .
O12 W4 O2 95.8(16) . .
O15 W4 O2 64.7(15) . .
O4 W4 O2 44.9(18) 3_684 .
O22 W5 O7 102.4(12) . 3_684
O22 W5 O5 100.2(12) . .
O7 W5 O5 89.0(11) 3_684 .
O22 W5 O6 99.8(12) . .
O7 W5 O6 88.9(12) 3_684 .
O5 W5 O6 159.9(12) . .
O22 W5 O10 102.2(12) . .
O7 W5 O10 155.4(12) 3_684 .
O5 W5 O10 86.4(12) . .
O6 W5 O10 87.2(11) . .
O22 W5 O1 159.3(14) . 3_684
O7 W5 O1 92.1(14) 3_684 3_684
O5 W5 O1 94.7(14) . 3_684
O6 W5 O1 65.4(14) . 3_684
O10 W5 O1 64.3(14) . 3_684
O22 W5 O4 155.3(15) . .
O7 W5 O4 61.0(15) 3_684 .
O5 W5 O4 63.7(15) . .
O6 W5 O4 98.0(15) . .
O10 W5 O4 95.6(15) . .
O1 W5 O4 45.4(16) 3_684 .
O20 W6 O9 103.9(13) . .
O20 W6 O5 101.5(13) . 3_684
O9 W6 O5 154.5(13) . 3_684
O20 W6 O12 99.8(12) . .
O9 W6 O12 86.1(13) . .
O5 W6 O12 87.9(12) 3_684 .
O20 W6 O13 98.3(13) . .
O9 W6 O13 87.1(12) . .
O5 W6 O13 91.0(12) 3_684 .
O12 W6 O13 161.8(13) . .
O20 W6 O3 156.1(15) . 3_684
O9 W6 O3 60.5(15) . 3_684
O5 W6 O3 95.8(15) 3_684 3_684
O12 W6 O3 97.2(15) . 3_684
O13 W6 O3 64.8(15) . 3_684
O20 W6 O4 157.3(15) . 3_684
O9 W6 O4 91.3(15) . 3_684
O5 W6 O4 64.0(15) 3_684 3_684
O12 W6 O4 63.9(15) . 3_684
O13 W6 O4 99.4(16) . 3_684
O3 W6 O4 46.6(17) 3_684 3_684
O2 Si1 O2 180(3) 3_684 .
O2 Si1 O4 109(3) 3_684 3_684
O2 Si1 O4 71(3) . 3_684
O2 Si1 O4 71(3) 3_684 .
O2 Si1 O4 109(3) . .
O4 Si1 O4 180(4) 3_684 .
O2 Si1 O1 69(3) 3_684 .
O2 Si1 O1 111(3) . .
O4 Si1 O1 70(2) 3_684 .
O4 Si1 O1 110(2) . .
O2 Si1 O1 111(3) 3_684 3_684
O2 Si1 O1 69(3) . 3_684
O4 Si1 O1 110(2) 3_684 3_684
O4 Si1 O1 70(2) . 3_684
O1 Si1 O1 180(3) . 3_684
O2 Si1 O3 70(3) 3_684 3_684
O2 Si1 O3 110(3) . 3_684
O4 Si1 O3 71(3) 3_684 3_684
O4 Si1 O3 109(3) . 3_684
O1 Si1 O3 108(2) . 3_684
O1 Si1 O3 72(2) 3_684 3_684
O2 Si1 O3 110(3) 3_684 .
O2 Si1 O3 70(3) . .
O4 Si1 O3 109(3) 3_684 .
O4 Si1 O3 71(3) . .
O1 Si1 O3 72(2) . .
O1 Si1 O3 108(2) 3_684 .
O3 Si1 O3 180.000(7) 3_684 .
Si1 O1 O2 54(2) . 3_684
Si1 O1 W2 121(3) . 3_684
O2 O1 W2 67(2) 3_684 3_684
Si1 O1 W3 121(2) . 3_684
O2 O1 W3 129(3) 3_684 3_684
W2 O1 W3 95.4(17) 3_684 3_684
Si1 O1 W5 123(3) . 3_684
O2 O1 W5 132(3) 3_684 3_684
W2 O1 W5 95.1(16) 3_684 3_684
W3 O1 W5 95.2(17) 3_684 3_684
Si1 O2 O1 58(2) . 3_684
Si1 O2 W2 126(3) . .
O1 O2 W2 68(2) 3_684 .
Si1 O2 W4 121(3) . .
O1 O2 W4 132(3) 3_684 .
W2 O2 W4 94.7(19) . .
Si1 O2 W1 122(3) . .
O1 O2 W1 132(3) 3_684 .
W2 O2 W1 93.5(18) . .
W4 O2 W1 91.8(19) . .
Si1 O3 W1 123(3) . .
Si1 O3 W3 119(3) . 3_684
W1 O3 W3 95.8(17) . 3_684
Si1 O3 W6 120(3) . 3_684
W1 O3 W6 96.4(18) . 3_684
W3 O3 W6 95.1(18) 3_684 3_684
Si1 O4 W4 123(3) . 3_684
Si1 O4 W6 122(3) . 3_684
W4 O4 W6 94.9(18) 3_684 3_684
Si1 O4 W5 122(3) . .
W4 O4 W5 94.3(18) 3_684 .
W6 O4 W5 93.8(18) 3_684 .
O40 Cu2 N3 87.5(12) . .
O40 Cu2 N4 165.0(11) . .
N3 Cu2 N4 81.2(11) . .
O40 Cu2 Cl1 95.4(9) . .
N3 Cu2 Cl1 172.7(8) . .
N4 Cu2 Cl1 97.1(8) . .
O41 Cu1 O43 91.4(10) . .
O41 Cu1 N2 172.9(11) . .
O43 Cu1 N2 92.4(10) . .
O41 Cu1 N1 93.9(11) . .
O43 Cu1 N1 170.6(11) . .
N2 Cu1 N1 83.1(11) . .
W4 O16 W2 139.5(16) . .
W1 O15 W4 138.3(15) . .
W3 O14 W2 130.4(16) . .
W6 O13 W1 133.2(17) . 3_684
W4 O12 W6 135.6(17) . .
W2 O11 W1 136.6(15) . .
W2 O10 W5 135.4(16) . .
W6 O9 W3 143.7(17) . .
W1 O8 W3 141.4(18) 3_684 .
W4 O7 W5 140.9(16) . 3_684
W5 O6 W3 134.2(16) . .
W5 O5 W6 138.2(16) . 3_684
C20 N4 C16 120(3) . .
C20 N4 Cu2 128(3) . .
C16 N4 Cu2 112(2) . .
C26 O41 Cu1 128(2) . .
C24 N5 C23 122(3) . .
C24 O43 Cu1 125(2) . .
C10 N2 C6 122(3) . .
C10 N2 Cu1 126(2) . .
C6 N2 Cu1 111(2) . .
C1 N1 C5 122(3) . .
C1 N1 Cu1 128(2) . .
C5 N1 Cu1 110(2) . .
C2 C1 N1 123(4) . .
C15 C16 N4 116(3) . .
C15 C16 C17 130(3) . .
N4 C16 C17 114(3) . .
C11 N3 C15 118(3) . .
C11 N3 Cu2 126(2) . .
C15 N3 Cu2 115(2) . .
C22 C23 N5 121(4) . .
C21 C25 C24 119(3) . .
C21 C25 C26 118(3) . .
C24 C25 C26 123(3) . .
N2 C6 C5 121(3) . .
N2 C6 C7 115(3) . .
C5 C6 C7 124(3) . .
N2 C10 C9 122(3) . .
C26 O40 Cu2 137(3) . .
N3 C15 C14 119(3) . .
N3 C15 C16 115(3) . .
C14 C15 C16 125(4) . .
O43 C24 N5 115(3) . .
O43 C24 C25 128(3) . .
N5 C24 C25 117(3) . .
N4 C20 C19 123(4) . .
C6 C5 C4 133(3) . .
C6 C5 N1 113(3) . .
C4 C5 N1 114(3) . .
C23 C22 C21 118(4) . .
C10 C9 C8 118(4) . .
C18 C17 C16 121(4) . .
C19 C18 C17 120(4) . .
N3 C11 C12 118(3) . .
O40 C26 O41 120(3) . .
O40 C26 C25 119(3) . .
O41 C26 C25 120(3) . .
C25 C21 C22 123(3) . .
C1 C2 C3 121(4) . .
C13 C12 C11 122(4) . .
C7 C8 C9 118(4) . .
C13 C14 C15 119(4) . .
C18 C19 C20 122(4) . .
C2 C3 C4 119(4) . .
C12 C13 C14 124(4) . .
C8 C7 C6 124(4) . .
C3 C4 C5 121(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O18 1.64(3) .
W1 O8 1.85(3) 3_684
W1 O15 1.88(3) .
W1 O13 1.93(3) 3_684
W1 O11 1.94(3) .
W1 O3 2.35(5) .
W1 O2 2.46(5) .
W2 O21 1.65(3) .
W2 O11 1.85(3) .
W2 O10 1.89(3) .
W2 O16 1.93(3) .
W2 O14 1.97(3) .
W2 O2 2.37(5) .
W2 O1 2.37(5) 3_684
W3 O17 1.71(2) .
W3 O8 1.88(3) .
W3 O9 1.88(3) .
W3 O14 1.91(3) .
W3 O6 1.93(3) .
W3 O1 2.39(5) 3_684
W3 O3 2.39(5) 3_684
W4 O19 1.66(3) .
W4 O16 1.84(3) .
W4 O7 1.85(3) .
W4 O12 1.88(3) .
W4 O15 1.89(3) .
W4 O4 2.37(5) 3_684
W4 O2 2.45(5) .
W5 O22 1.64(2) .
W5 O7 1.88(3) 3_684
W5 O5 1.88(3) .
W5 O6 1.90(3) .
W5 O10 1.91(3) .
W5 O1 2.39(5) 3_684
W5 O4 2.43(5) .
W6 O20 1.68(2) .
W6 O9 1.84(3) .
W6 O5 1.89(3) 3_684
W6 O12 1.92(3) .
W6 O13 1.92(3) .
W6 O3 2.39(5) 3_684
W6 O4 2.41(5) 3_684
Si1 O2 1.56(6) 3_684
Si1 O2 1.56(6) .
Si1 O4 1.61(5) 3_684
Si1 O4 1.61(5) .
Si1 O1 1.63(5) .
Si1 O1 1.63(5) 3_684
Si1 O3 1.65(5) 3_684
Si1 O3 1.65(5) .
O1 O2 1.80(7) 3_684
O1 W2 2.37(5) 3_684
O1 W3 2.39(5) 3_684
O1 W5 2.39(5) 3_684
O2 O1 1.80(7) 3_684
O3 W3 2.39(5) 3_684
O3 W6 2.39(5) 3_684
O4 W4 2.37(5) 3_684
O4 W6 2.41(5) 3_684
Cu2 O40 1.94(2) .
Cu2 N3 1.99(3) .
Cu2 N4 2.00(3) .
Cu2 Cl1 2.240(11) .
Cu1 O41 1.90(2) .
Cu1 O43 1.94(2) .
Cu1 N2 1.98(3) .
Cu1 N1 1.99(3) .
O13 W1 1.93(3) 3_684
O8 W1 1.85(3) 3_684
O7 W5 1.88(3) 3_684
O5 W6 1.89(3) 3_684
N4 C20 1.31(5) .
N4 C16 1.41(4) .
O41 C26 1.32(4) .
N5 C24 1.36(4) .
N5 C23 1.40(5) .
O43 C24 1.18(4) .
N2 C10 1.29(4) .
N2 C6 1.30(4) .
N1 C1 1.30(5) .
N1 C5 1.43(4) .
C1 C2 1.28(5) .
C16 C15 1.39(5) .
C16 C17 1.46(5) .
N3 C11 1.35(4) .
N3 C15 1.38(4) .
C23 C22 1.31(6) .
C25 C21 1.33(5) .
C25 C24 1.41(4) .
C25 C26 1.45(4) .
C6 C5 1.38(5) .
C6 C7 1.47(5) .
C10 C9 1.37(5) .
O40 C26 1.22(4) .
C15 C14 1.39(5) .
C20 C19 1.33(6) .
C5 C4 1.40(5) .
C22 C21 1.40(5) .
C9 C8 1.39(5) .
C17 C18 1.33(6) .
C18 C19 1.27(5) .
C11 C12 1.43(5) .
C2 C3 1.34(6) .
C12 C13 1.20(5) .
C8 C7 1.22(5) .
C14 C13 1.32(6) .
C3 C4 1.38(5) .
