#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/54/4505499.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_4505499
loop_
_publ_author_name
'Liu, Ming-guan'
'Zhang, Peng-peng'
'Peng, Jun'
'Meng, Hua-xin'
'Wang, Xiang'
'Zhu, Min'
'Wang, Dan-dan'
'Meng, Cui-li'
'Alimaje, Kundawlet'
_publ_section_title
;
 Organic--Inorganic Hybrids Constructed from Mixed-Valence Multinuclear
 Copper Complexes and Templated by Keggin Polyoxometalates
;
_journal_issue                   3
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1273
_journal_paper_doi               10.1021/cg2012809
_journal_volume                  12
_journal_year                    2012
_chemical_formula_sum            'C36 H38 Cu7 N30 O48 Si W12'
_chemical_formula_weight         4337.85
_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                99.5940(11)
_cell_angle_beta                 91.4080(10)
_cell_angle_gamma                111.3580(9)
_cell_formula_units_Z            1
_cell_length_a                   11.9372(10)
_cell_length_b                   13.8906(11)
_cell_length_c                   14.1593(11)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      7.5
_cell_volume                     2146.7(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  '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  0.0249
_diffrn_reflns_av_sigmaI/netI    0.0554
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            10888
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.46
_exptl_absorpt_coefficient_mu    17.811
_exptl_absorpt_correction_T_max  0.118
_exptl_absorpt_correction_T_min  0.095
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            'yellow green'
_exptl_crystal_density_diffrn    3.345
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1939.0
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.12
_refine_diff_density_max         3.051
_refine_diff_density_min         -1.707
_refine_diff_density_rms         0.397
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     625
_refine_ls_number_reflns         7468
_refine_ls_number_restraints     60
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0762
_refine_ls_R_factor_gt           0.0605
_refine_ls_shift/su_max          0.030
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0757P)²+97.9135P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1563
_refine_ls_wR_factor_ref         0.1749
_reflns_number_gt                6124
_reflns_number_total             7566
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg2012809_si_006.cif
_cod_data_source_block           pp
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P-1   '
_cod_original_formula_sum        'C36 H38 Cu7 N30 O48 Si W12 '
_cod_database_code               4505499
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 -0.5000 0.5000 0.0223(15) Uani 1 2 d S
Cu1 Cu 0.4508(3) -1.0003(2) 0.61797(18) 0.0401(7) Uani 1 1 d .
Cu2 Cu 0.6816(2) -0.9655(2) 0.99486(16) 0.0306(6) Uani 1 1 d .
Cu3 Cu 1.0000 -0.5000 1.0000 0.0383(9) Uani 1 2 d S
Cu4 Cu 0.7454(2) -0.9469(2) 0.77694(17) 0.0301(6) Uani 1 1 d .
O23 O 0.7837(12) -0.9905(12) 0.8963(9) 0.035(3) Uani 1 1 d .
O1 O 0.262(2) -0.571(2) 0.1651(11) 0.078(7) Uani 1 1 d .
OW1 O 0.8595(18) -0.3959(19) 1.0193(13) 0.074(6) Uani 1 1 d .
O2 O 0.2175(19) -0.5674(15) 0.3543(14) 0.066(6) Uani 1 1 d .
O3 O 0.665(2) -0.5780(16) 0.3080(15) 0.077(6) Uani 1 1 d U
O4 O 0.5001(19) -0.5193(17) 0.2354(18) 0.081(6) Uani 1 1 d U
O5 O 0.2613(17) -0.8850(12) 0.3164(13) 0.057(5) Uani 1 1 d .
O6 O 0.3290(18) -0.6850(14) 0.2806(13) 0.057(5) Uani 1 1 d .
O7 O 0.0304(14) -0.6590(14) 0.4643(15) 0.056(5) Uani 1 1 d .
O8 O 0.7343(15) -0.7327(13) 0.3623(11) 0.047(4) Uani 1 1 d .
O9 O 0.213(3) -0.6209(15) 0.6033(14) 0.105(10) Uani 1 1 d .
O10 O 0.612(2) -0.426(2) 0.5677(19) 0.029(6) Uani 0.50 1 d P
O11 O 0.3778(19) -0.781(2) 0.5029(16) 0.083(6) Uani 1 1 d U
O12 O 0.785(3) -0.5409(15) 0.4759(15) 0.101(10) Uani 1 1 d .
O13 O 0.378(2) -0.504(2) 0.5485(17) 0.023(6) Uani 0.50 1 d PU
O14 O 0.3793(17) -0.4042(16) 0.310(2) 0.096(9) Uani 1 1 d .
O15 O 0.7317(15) -0.4260(16) 0.1969(11) 0.058(5) Uani 1 1 d .
O16 O 0.2162(17) -0.7259(14) 0.4345(13) 0.057(5) Uani 1 1 d .
O17 O 0.4901(15) -0.8129(11) 0.6616(13) 0.047(4) Uani 1 1 d .
O18 O 0.491(2) -0.4637(19) 0.3957(18) 0.023(6) Uani 0.50 1 d P
O19 O 0.493(2) -0.618(2) 0.4817(18) 0.025(6) Uani 0.50 1 d PU
O20 O 0.6153(17) -0.7054(19) 0.5233(14) 0.074(6) Uani 1 1 d U
O21 O 0.3815(16) -0.6724(15) 0.674(2) 0.087(8) Uani 1 1 d .
O22 O 0.4992(19) -0.744(2) 0.3519(16) 0.082(6) Uani 1 1 d U
N1 N 0.7453(17) -0.8003(14) 0.9675(13) 0.040(5) Uani 1 1 d .
N2 N 0.8054(18) -0.7125(15) 1.0306(12) 0.042(5) Uani 1 1 d .
N3 N 0.7633(17) -0.7857(13) 0.8768(12) 0.035(4) Uani 1 1 d .
N4 N 0.8643(18) -0.6379(14) 0.9800(12) 0.040(5) Uani 1 1 d .
N5 N 0.9769(17) -0.5281(12) 0.8534(12) 0.035(4) Uani 1 1 d .
N6 N 0.7829(17) -0.9363(16) 0.5020(13) 0.040(5) Uani 1 1 d .
N7 N 0.6615(16) -0.9610(14) 0.4940(11) 0.031(4) Uani 1 1 d .
N8 N 0.6233(14) -0.9595(13) 0.5783(11) 0.027(4) Uani 1 1 d .
N9 N 0.7188(14) -0.9310(13) 0.6446(11) 0.027(4) Uani 1 1 d .
N10 N 0.9203(14) -0.8931(14) 0.7409(12) 0.032(4) Uani 1 1 d .
N11 N 0.4266(13) -1.0304(14) 0.9016(10) 0.027(4) Uani 1 1 d .
N12 N 0.5444(13) -1.0076(12) 0.8922(10) 0.021(3) Uani 1 1 d .
N13 N 0.5646(14) -1.0026(13) 0.8009(10) 0.025(4) Uani 1 1 d .
N14 N 0.4592(14) -1.0240(12) 0.7502(10) 0.024(3) Uani 1 1 d .
N15 N 0.1983(15) -1.0666(16) 0.8894(13) 0.041(5) Uani 1 1 d .
W1 W 0.49478(8) -0.71322(8) 0.60692(7) 0.0401(3) Uani 1 1 d .
W2 W 0.34212(7) -0.75934(7) 0.37761(6) 0.0311(2) Uani 1 1 d .
W3 W 0.66092(9) -0.65779(8) 0.40767(6) 0.0389(3) Uani 1 1 d U
W4 W 0.33942(7) -0.54621(7) 0.27341(6) 0.0307(2) Uani 1 1 d .
W5 W 0.18154(7) -0.60535(7) 0.47804(6) 0.0311(2) Uani 1 1 d .
W6 W 0.65820(9) -0.45036(7) 0.29455(6) 0.0373(3) Uani 1 1 d U
C1 C 0.2442(18) -1.0718(16) 0.8033(14) 0.030(4) Uani 1 1 d .
C2 C 0.173(2) -1.1000(19) 0.7184(14) 0.041(6) Uani 1 1 d .
H2A H 0.2077 -1.0994 0.6601 0.049 Uiso 1 1 calc R
C3 C 0.0492(19) -1.1295(18) 0.7207(15) 0.040(5) Uani 1 1 d .
H3A H -0.0016 -1.1508 0.6640 0.048 Uiso 1 1 calc R
C4 C 0.002(2) -1.126(2) 0.8103(17) 0.048(6) Uani 1 1 d .
H4A H -0.0804 -1.1448 0.8144 0.057 Uiso 1 1 calc R
C5 C 0.0776(18) -1.0968(19) 0.8891(14) 0.035(5) Uani 1 1 d .
H5A H 0.0450 -1.0969 0.9481 0.042 Uiso 1 1 calc R
C6 C 1.130(2) -0.851(2) 0.7625(17) 0.049(7) Uani 1 1 d .
H6A H 1.1997 -0.8331 0.8036 0.059 Uiso 1 1 calc R
C7 C 1.138(2) -0.856(2) 0.666(2) 0.059(8) Uani 1 1 d .
H7A H 1.2118 -0.8456 0.6411 0.071 Uiso 1 1 calc R
C8 C 1.003(2) -0.494(2) 0.6974(17) 0.047(6) Uani 1 1 d .
H8A H 1.0453 -0.4504 0.6560 0.056 Uiso 1 1 calc R
C9 C 1.035(2) -0.878(2) 0.6054(19) 0.054(7) Uani 1 1 d .
H9A H 1.0387 -0.8813 0.5395 0.064 Uiso 1 1 calc R
C10 C 1.032(2) -0.456(2) 0.7967(17) 0.043(6) Uani 1 1 d .
H10A H 1.0847 -0.3882 0.8223 0.052 Uiso 1 1 calc R
C11 C 0.915(2) -0.5928(16) 0.6566(16) 0.036(5) Uani 1 1 d .
H11A H 0.8959 -0.6144 0.5904 0.044 Uiso 1 1 calc R
C12 C 0.930(2) -0.8952(19) 0.6460(19) 0.050(6) Uani 1 1 d .
C13 C 0.8136(18) -0.9171(16) 0.5947(12) 0.028(5) Uani 1 1 d .
C14 C 0.3768(19) -1.0394(15) 0.8144(14) 0.029(5) Uani 1 1 d .
C15 C 1.020(2) -0.871(2) 0.7985(19) 0.051(6) Uani 1 1 d U
H15A H 1.0150 -0.8694 0.8642 0.062 Uiso 1 1 calc R
C16 C 0.8918(18) -0.6221(15) 0.8137(15) 0.028(4) Uani 1 1 d .
C17 C 0.8416(19) -0.6843(18) 0.8869(14) 0.034(5) Uani 1 1 d .
C18 C 0.8579(19) -0.6554(16) 0.7199(16) 0.038(5) Uani 1 1 d .
H18A H 0.7964 -0.7204 0.6976 0.046 Uiso 1 1 calc R
OW3 O 0.559(3) -0.752(2) 0.148(2) 0.125(11) Uani 1 1 d .
OW2 O 0.433(4) -0.793(4) -0.042(4) 0.33(4) Uani 1 1 d .
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
O10 Si1 O10 180.0(18) 2_646 .
O10 Si1 O19 111.5(13) 2_646 2_646
O10 Si1 O19 68.5(13) . 2_646
O10 Si1 O19 68.5(13) 2_646 .
O10 Si1 O19 111.5(13) . .
O19 Si1 O19 180.000(2) 2_646 .
O10 Si1 O13 110.6(13) 2_646 2_646
O10 Si1 O13 69.4(13) . 2_646
O19 Si1 O13 105.0(13) 2_646 2_646
O19 Si1 O13 75.0(13) . 2_646
O10 Si1 O13 69.4(13) 2_646 .
O10 Si1 O13 110.6(13) . .
O19 Si1 O13 75.0(13) 2_646 .
O19 Si1 O13 105.0(13) . .
O13 Si1 O13 180.0(17) 2_646 .
O10 Si1 O18 66.3(13) 2_646 .
O10 Si1 O18 113.7(13) . .
O19 Si1 O18 70.6(12) 2_646 .
O19 Si1 O18 109.4(12) . .
O13 Si1 O18 73.8(12) 2_646 .
O13 Si1 O18 106.2(12) . .
O10 Si1 O18 113.7(13) 2_646 2_646
O10 Si1 O18 66.3(13) . 2_646
O19 Si1 O18 109.4(12) 2_646 2_646
O19 Si1 O18 70.6(12) . 2_646
O13 Si1 O18 106.2(12) 2_646 2_646
O13 Si1 O18 73.8(12) . 2_646
O18 Si1 O18 180.000(4) . 2_646
N7 Cu1 N14 140.9(7) 2_636 .
N7 Cu1 N8 109.9(7) 2_636 .
N14 Cu1 N8 106.0(6) . .
N7 Cu1 O17 100.6(7) 2_636 .
N14 Cu1 O17 95.9(6) . .
N8 Cu1 O17 87.6(6) . .
O23 Cu2 N11 168.3(7) . 2_637
O23 Cu2 N12 89.2(6) . .
N11 Cu2 N12 92.2(6) 2_637 .
O23 Cu2 N15 97.5(6) . 2_637
N11 Cu2 N15 80.3(6) 2_637 2_637
N12 Cu2 N15 171.8(6) . 2_637
O23 Cu2 N1 86.1(7) . .
N11 Cu2 N1 105.6(7) 2_637 .
N12 Cu2 N1 89.5(7) . .
N15 Cu2 N1 95.8(8) 2_637 .
N4 Cu3 N4 180.000(2) . 2_747
N4 Cu3 N5 98.5(6) . 2_747
N4 Cu3 N5 81.5(6) 2_747 2_747
N4 Cu3 N5 81.5(6) . .
N4 Cu3 N5 98.5(6) 2_747 .
N5 Cu3 N5 180.000(2) 2_747 .
N9 Cu4 O23 166.4(7) . .
N9 Cu4 N10 79.7(7) . .
O23 Cu4 N10 95.2(6) . .
N9 Cu4 N13 95.5(6) . .
O23 Cu4 N13 89.4(6) . .
N10 Cu4 N13 175.1(6) . .
N9 Cu4 N3 106.5(6) . .
O23 Cu4 N3 86.4(6) . .
N10 Cu4 N3 94.9(7) . .
N13 Cu4 N3 87.3(6) . .
Cu2 O23 Cu4 110.3(7) . .
W4 O2 W5 140.0(11) . .
W6 O3 W3 139.0(13) . .
W6 O4 W4 136.5(13) . .
W2 O6 W4 137.2(10) . .
W5 O9 W6 135.8(16) . 2_646
Si1 O10 O18 59.9(13) . 2_646
Si1 O10 O19 57.1(13) . 2_646
O18 O10 O19 97.8(18) 2_646 2_646
Si1 O10 O13 57.2(12) . 2_646
O18 O10 O13 94.9(17) 2_646 2_646
O19 O10 O13 91.1(17) 2_646 2_646
Si1 O10 W2 123.9(15) . 2_646
O18 O10 W2 130.9(16) 2_646 2_646
O19 O10 W2 66.9(12) 2_646 2_646
O13 O10 W2 129.9(16) 2_646 2_646
Si1 O10 W4 123.9(15) . 2_646
O18 O10 W4 64.1(12) 2_646 2_646
O19 O10 W4 135.0(16) 2_646 2_646
O13 O10 W4 129.1(15) 2_646 2_646
W2 O10 W4 93.5(9) 2_646 2_646
Si1 O10 W5 121.8(13) . 2_646
O18 O10 W5 129.3(16) 2_646 2_646
O19 O10 W5 126.5(16) 2_646 2_646
O13 O10 W5 64.5(11) 2_646 2_646
W2 O10 W5 92.4(9) 2_646 2_646
W4 O10 W5 92.7(9) 2_646 2_646
W1 O11 W2 138.2(13) . .
W3 O12 W5 138.5(16) . 2_646
Si1 O13 O10 53.4(12) . 2_646
Si1 O13 W5 125.1(13) . .
O10 O13 W5 71.7(12) 2_646 .
Si1 O13 W6 121.2(12) . 2_646
O10 O13 W6 134.7(16) 2_646 2_646
W5 O13 W6 95.5(9) . 2_646
Si1 O13 W3 119.5(13) . 2_646
O10 O13 W3 130.2(15) 2_646 2_646
W5 O13 W3 94.8(9) . 2_646
W6 O13 W3 93.3(9) 2_646 2_646
W4 O14 W1 137.3(15) . 2_646
W5 O16 W2 138.1(10) . .
W1 O17 Cu1 138.4(9) . .
Si1 O18 O10 53.8(12) . 2_646
Si1 O18 W4 126.5(12) . .
O10 O18 W4 72.7(12) 2_646 .
Si1 O18 W1 119.4(13) . 2_646
O10 O18 W1 135.8(15) 2_646 2_646
W4 O18 W1 96.8(9) . 2_646
Si1 O18 W6 117.6(12) . .
O10 O18 W6 129.7(15) 2_646 .
W4 O18 W6 96.0(9) . .
W1 O18 W6 93.5(8) 2_646 .
Si1 O19 O10 54.4(11) . 2_646
Si1 O19 W2 124.1(13) . .
O10 O19 W2 69.8(12) 2_646 .
Si1 O19 W1 123.8(13) . .
O10 O19 W1 134.9(16) 2_646 .
W2 O19 W1 95.9(9) . .
Si1 O19 W3 118.7(13) . .
O10 O19 W3 129.5(15) 2_646 .
W2 O19 W3 93.6(9) . .
W1 O19 W3 92.7(8) . .
W1 O20 W3 138.9(12) . .
W1 O21 W6 138.3(12) . 2_646
W2 O22 W3 137.4(14) . .
N2 N1 N3 111.2(16) . .
N2 N1 Cu2 126.8(14) . .
N3 N1 Cu2 118.1(12) . .
N1 N2 N4 107.3(15) . .
N1 N3 C17 104.3(16) . .
N1 N3 Cu4 109.8(12) . .
C17 N3 Cu4 134.6(14) . .
C17 N4 N2 106.8(17) . .
C17 N4 Cu3 111.5(14) . .
N2 N4 Cu3 139.2(13) . .
C16 N5 C10 120.2(18) . .
C16 N5 Cu3 114.4(13) . .
C10 N5 Cu3 125.1(15) . .
C13 N6 N7 104.9(16) . .
N8 N7 N6 109.4(16) . .
N8 N7 Cu1 120.0(13) . 2_636
N6 N7 Cu1 130.5(13) . 2_636
N7 N8 N9 108.8(15) . .
N7 N8 Cu1 130.0(13) . .
N9 N8 Cu1 121.1(12) . .
C13 N9 N8 105.2(15) . .
C13 N9 Cu4 114.6(13) . .
N8 N9 Cu4 136.9(12) . .
C15 N10 C12 119(2) . .
C15 N10 Cu4 126.7(16) . .
C12 N10 Cu4 114.0(15) . .
C14 N11 N12 105.6(15) . .
C14 N11 Cu2 115.0(13) . 2_637
N12 N11 Cu2 138.7(11) . 2_637
N13 N12 N11 109.2(13) . .
N13 N12 Cu2 121.2(11) . .
N11 N12 Cu2 129.1(11) . .
N12 N13 N14 108.6(14) . .
N12 N13 Cu4 114.3(11) . .
N14 N13 Cu4 136.5(11) . .
N13 N14 C14 105.3(15) . .
N13 N14 Cu1 122.1(12) . .
C14 N14 Cu1 131.0(14) . .
C1 N15 C5 117.4(18) . .
C1 N15 Cu2 115.2(13) . 2_637
C5 N15 Cu2 126.7(14) . 2_637
O17 W1 O20 103.5(9) . .
O17 W1 O11 102.6(9) . .
O20 W1 O11 89.5(9) . .
O17 W1 O21 98.5(10) . .
O20 W1 O21 157.7(10) . .
O11 W1 O21 89.2(10) . .
O17 W1 O14 100.7(10) . 2_646
O20 W1 O14 84.7(9) . 2_646
O11 W1 O14 156.7(11) . 2_646
O21 W1 O14 87.7(8) . 2_646
O17 W1 O19 160.0(8) . .
O20 W1 O19 65.1(9) . .
O11 W1 O19 62.5(10) . .
O21 W1 O19 94.7(10) . .
O14 W1 O19 94.8(11) 2_646 .
O17 W1 O18 153.9(8) . 2_646
O20 W1 O18 93.2(9) . 2_646
O11 W1 O18 97.3(10) . 2_646
O21 W1 O18 64.9(9) . 2_646
O14 W1 O18 60.7(10) 2_646 2_646
O19 W1 O18 46.0(9) . 2_646
O5 W2 O22 101.4(10) . .
O5 W2 O16 100.0(9) . .
O22 W2 O16 158.4(10) . .
O5 W2 O6 98.6(9) . .
O22 W2 O6 91.7(9) . .
O16 W2 O6 88.1(7) . .
O5 W2 O11 103.0(10) . .
O22 W2 O11 88.3(9) . .
O16 W2 O11 84.0(9) . .
O6 W2 O11 157.9(10) . .
O5 W2 O19 159.8(9) . .
O22 W2 O19 66.0(10) . .
O16 W2 O19 92.6(9) . .
O6 W2 O19 97.6(9) . .
O11 W2 O19 62.4(9) . .
O5 W2 O10 156.8(10) . 2_646
O22 W2 O10 95.5(10) . 2_646
O16 W2 O10 64.9(8) . 2_646
O6 W2 O10 64.9(9) . 2_646
O11 W2 O10 93.1(10) . 2_646
O19 W2 O10 43.3(9) . 2_646
O8 W3 O12 101.8(11) . .
O8 W3 O20 102.3(9) . .
O12 W3 O20 90.0(10) . .
O8 W3 O3 101.5(9) . .
O12 W3 O3 87.8(9) . .
O20 W3 O3 156.0(10) . .
O8 W3 O22 100.1(9) . .
O12 W3 O22 158.0(12) . .
O20 W3 O22 87.5(9) . .
O3 W3 O22 85.6(9) . .
O8 W3 O13 156.8(8) . 2_646
O12 W3 O13 62.5(10) . 2_646
O20 W3 O13 95.0(9) . 2_646
O3 W3 O13 63.0(9) . 2_646
O22 W3 O13 95.9(9) . 2_646
O8 W3 O19 156.4(9) . .
O12 W3 O19 96.8(11) . .
O20 W3 O19 62.8(9) . .
O3 W3 O19 93.6(9) . .
O22 W3 O19 62.8(9) . .
O13 W3 O19 46.8(8) 2_646 .
O1 W4 O14 101.8(13) . .
O1 W4 O2 101.8(10) . .
O14 W4 O2 88.8(9) . .
O1 W4 O6 99.4(10) . .
O14 W4 O6 158.8(11) . .
O2 W4 O6 86.6(7) . .
O1 W4 O4 100.3(10) . .
O14 W4 O4 89.1(8) . .
O2 W4 O4 157.8(10) . .
O6 W4 O4 87.4(9) . .
O1 W4 O18 158.9(11) . .
O14 W4 O18 64.5(11) . .
O2 W4 O18 94.2(9) . .
O6 W4 O18 95.2(9) . .
O4 W4 O18 65.1(9) . .
O1 W4 O10 157.8(11) . 2_646
O14 W4 O10 95.2(11) . 2_646
O2 W4 O10 64.2(9) . 2_646
O6 W4 O10 64.2(8) . 2_646
O4 W4 O10 94.0(10) . 2_646
O18 W4 O10 43.2(9) . 2_646
O7 W5 O9 101.1(12) . .
O7 W5 O16 99.6(9) . .
O9 W5 O16 87.7(8) . .
O7 W5 O12 103.3(11) . 2_646
O9 W5 O12 89.6(8) . 2_646
O16 W5 O12 157.0(11) . 2_646
O7 W5 O2 101.5(9) . .
O9 W5 O2 157.5(12) . .
O16 W5 O2 87.7(7) . .
O12 W5 O2 86.1(9) 2_646 .
O7 W5 O13 160.0(9) . .
O9 W5 O13 65.2(11) . .
O16 W5 O13 94.4(9) . .
O12 W5 O13 63.9(11) 2_646 .
O2 W5 O13 93.2(9) . .
O7 W5 O10 156.1(9) . 2_646
O9 W5 O10 95.6(12) . 2_646
O16 W5 O10 64.0(8) . 2_646
O12 W5 O10 93.6(11) 2_646 2_646
O2 W5 O10 62.7(9) . 2_646
O13 W5 O10 43.8(9) . 2_646
O15 W6 O3 102.3(10) . .
O15 W6 O4 99.2(9) . .
O3 W6 O4 90.2(10) . .
O15 W6 O21 100.6(11) . 2_646
O3 W6 O21 157.1(11) . 2_646
O4 W6 O21 86.5(9) . 2_646
O15 W6 O9 101.6(11) . 2_646
O3 W6 O9 90.0(8) . 2_646
O4 W6 O9 158.6(12) . 2_646
O21 W6 O9 85.1(9) 2_646 2_646
O15 W6 O13 157.8(9) . 2_646
O3 W6 O13 64.4(9) . 2_646
O4 W6 O13 98.5(9) . 2_646
O21 W6 O13 93.7(10) 2_646 2_646
O9 W6 O13 62.6(10) 2_646 2_646
O15 W6 O18 154.7(9) . .
O3 W6 O18 95.1(10) . .
O4 W6 O18 62.2(9) . .
O21 W6 O18 63.4(9) 2_646 .
O9 W6 O18 96.5(11) 2_646 .
O13 W6 O18 47.4(8) 2_646 .
N15 C1 C2 122(2) . .
N15 C1 C14 111.6(17) . .
C2 C1 C14 126.1(19) . .
C1 C2 C3 119(2) . .
C2 C3 C4 118.5(19) . .
C5 C4 C3 119(2) . .
C4 C5 N15 124(2) . .
C15 C6 C7 120(2) . .
C6 C7 C9 120(2) . .
C10 C8 C11 124(2) . .
C12 C9 C7 117(2) . .
N5 C10 C8 115(2) . .
C18 C11 C8 116(2) . .
N10 C12 C9 123(2) . .
N10 C12 C13 111(2) . .
C9 C12 C13 125(2) . .
N6 C13 N9 111.7(19) . .
N6 C13 C12 129.7(19) . .
N9 C13 C12 118.2(18) . .
N11 C14 N14 111.2(18) . .
N11 C14 C1 116.7(18) . .
N14 C14 C1 131.9(18) . .
N10 C15 C6 121(2) . .
C18 C16 N5 124.9(19) . .
C18 C16 C17 123.8(19) . .
N5 C16 C17 111.2(17) . .
N4 C17 N3 110.3(17) . .
N4 C17 C16 119.5(19) . .
N3 C17 C16 129.9(18) . .
C16 C18 C11 119.3(19) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Si1 O10 1.54(3) 2_646
Si1 O10 1.54(3) .
Si1 O19 1.59(3) 2_646
Si1 O19 1.59(3) .
Si1 O13 1.61(3) 2_646
Si1 O13 1.61(3) .
Si1 O18 1.65(2) .
Si1 O18 1.65(2) 2_646
Cu1 N7 1.920(16) 2_636
Cu1 N14 1.960(15) .
Cu1 N8 2.047(16) .
Cu1 O17 2.437(15) .
Cu2 O23 1.945(14) .
Cu2 N11 1.972(15) 2_637
Cu2 N12 2.010(14) .
Cu2 N15 2.029(18) 2_637
Cu2 N1 2.244(19) .
Cu3 N4 1.977(17) .
Cu3 N4 1.977(17) 2_747
Cu3 N5 2.040(17) 2_747
Cu3 N5 2.040(17) .
Cu4 N9 1.954(16) .
Cu4 O23 1.985(14) .
Cu4 N10 2.055(16) .
Cu4 N13 2.068(16) .
Cu4 N3 2.374(17) .
O1 W4 1.685(16) .
O2 W4 1.843(17) .
O2 W5 1.927(18) .
O3 W6 1.84(2) .
O3 W3 1.93(2) .
O4 W6 1.88(2) .
O4 W4 1.92(2) .
O5 W2 1.720(14) .
O6 W2 1.886(17) .
O6 W4 1.907(16) .
O7 W5 1.674(15) .
O8 W3 1.653(15) .
O9 W5 1.866(19) .
O9 W6 1.94(2) 2_646
O10 O18 1.75(4) 2_646
O10 O19 1.76(4) 2_646
O10 O13 1.80(4) 2_646
O10 W2 2.41(3) 2_646
O10 W4 2.44(3) 2_646
O10 W5 2.46(3) 2_646
O11 W1 1.87(2) .
O11 W2 1.91(2) .
O12 W3 1.85(2) .
O12 W5 1.91(2) 2_646
O13 O10 1.80(4) 2_646
O13 W5 2.34(2) .
O13 W6 2.42(2) 2_646
O13 W3 2.44(3) 2_646
O14 W4 1.83(2) .
O14 W1 1.95(2) 2_646
O15 W6 1.672(14) .
O16 W5 1.878(16) .
O16 W2 1.889(16) .
O17 W1 1.680(16) .
O18 O10 1.75(4) 2_646
O18 W4 2.29(2) .
O18 W1 2.41(2) 2_646
O18 W6 2.45(2) .
O19 O10 1.76(4) 2_646
O19 W2 2.37(3) .
O19 W1 2.38(2) .
O19 W3 2.48(3) .
O20 W1 1.87(2) .
O20 W3 1.89(2) .
O21 W1 1.872(18) .
O21 W6 1.917(19) 2_646
O22 W2 1.86(2) .
O22 W3 1.93(2) .
N1 N2 1.33(2) .
N1 N3 1.34(2) .
N2 N4 1.35(2) .
N3 C17 1.36(3) .
N4 C17 1.34(3) .
N5 C16 1.35(3) .
N5 C10 1.37(3) .
N6 C13 1.31(3) .
N6 N7 1.36(2) .
N7 N8 1.29(2) .
N7 Cu1 1.920(16) 2_636
N8 N9 1.35(2) .
N9 C13 1.32(2) .
N10 C15 1.34(3) .
N10 C12 1.35(3) .
N11 C14 1.32(2) .
N11 N12 1.34(2) .
N11 Cu2 1.972(15) 2_637
N12 N13 1.329(19) .
N13 N14 1.34(2) .
N14 C14 1.34(3) .
N15 C1 1.35(3) .
N15 C5 1.35(3) .
N15 Cu2 2.029(18) 2_637
W1 O14 1.95(2) 2_646
W1 O18 2.41(2) 2_646
W2 O10 2.41(3) 2_646
W3 O13 2.44(3) 2_646
W4 O10 2.44(3) 2_646
W5 O12 1.91(2) 2_646
W5 O10 2.46(3) 2_646
W6 O21 1.917(19) 2_646
W6 O9 1.94(2) 2_646
W6 O13 2.42(2) 2_646
C1 C2 1.37(3) .
C1 C14 1.48(3) .
C2 C3 1.39(3) .
C3 C4 1.40(3) .
C4 C5 1.32(3) .
C6 C15 1.37(3) .
C6 C7 1.36(3) .
C7 C9 1.39(4) .
C8 C10 1.40(3) .
C8 C11 1.41(3) .
C9 C12 1.35(3) .
C11 C18 1.37(3) .
C12 C13 1.45(3) .
C16 C18 1.33(3) .
C16 C17 1.46(3) .
