#------------------------------------------------------------------------------
#$Date: 2018-02-04 00:24:23 +0200 (Sun, 04 Feb 2018) $
#$Revision: 206112 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/43/4514362.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_4514362
loop_
_publ_author_name
'Lu, Bing-Bing'
'Yang, Jin'
'Che, Guang-Bo'
'Pei, Wen-Yuan'
'Ma, Jian-Fang'
_publ_section_title
;
 Highly Stable Copper(I)-Based Metal-Organic Framework Assembled with
 Resorcin[4]arene and Polyoxometalate for Efficient Heterogeneous
 Catalysis of Azide-Alkyne "Click" Reaction.
;
_journal_issue                   3
_journal_name_full               'ACS applied materials & interfaces'
_journal_page_first              2628
_journal_page_last               2636
_journal_paper_doi               10.1021/acsami.7b17306
_journal_volume                  10
_journal_year                    2018
_chemical_formula_moiety         'C140 H128 Cu4 N24 O48 Si W12 6H2O 2C3H7NO'
_chemical_formula_sum            'C146 H154 Cu4 N26 O56 Si W12'
_chemical_formula_weight         5657.39
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                95.26
_cell_angle_beta                 105.90
_cell_angle_gamma                98.58
_cell_formula_units_Z            1
_cell_length_a                   14.285
_cell_length_b                   16.578
_cell_length_c                   17.357
_cell_measurement_reflns_used    5624
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.1206
_cell_measurement_theta_min      2.9079
_cell_volume                     3870.771
_computing_cell_refinement       CrysAlis
_computing_data_collection       10.2375
_computing_data_reduction        CrysAlis
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.2375
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.836
_diffrn_measurement_device_type  'Xcalibur, Ruby, Gemini ultra'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0465
_diffrn_reflns_av_unetI/netI     0.1156
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.836
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            28340
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.836
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         29.186
_diffrn_reflns_theta_min         2.914
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    9.516
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.44737
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.427
_exptl_crystal_description       block
_exptl_crystal_F_000             2678
_exptl_crystal_size_max          0.51
_exptl_crystal_size_mid          0.47
_exptl_crystal_size_min          0.39
_refine_diff_density_max         2.003
_refine_diff_density_min         -1.590
_refine_diff_density_rms         0.233
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1027
_refine_ls_number_reflns         17523
_refine_ls_number_restraints     43
_refine_ls_restrained_S_all      0.997
_refine_ls_R_factor_all          0.1347
_refine_ls_R_factor_gt           0.0691
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0594P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1390
_refine_ls_wR_factor_ref         0.1632
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9622
_reflns_number_total             17523
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            am7b17306_si_002.cif
_cod_data_source_block           shelx
_cod_depositor_comments          'Adding full bibliography for 4514362.cif.'
_cod_original_cell_volume        3870.8
_cod_database_code               4514362
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_platon_squeeze_void_probe_radius 1.20
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Si1 Si 1.0000 0.5000 1.0000 0.0138(8) Uani 1 2 d S . P
Cu1 Cu 1.45569(16) -0.01798(13) 0.91026(13) 0.0712(6) Uani 1 1 d . . .
Cu2 Cu 1.4670(2) -0.42052(18) 0.52591(19) 0.1108(9) Uani 1 1 d . . .
W1 W 1.14461(5) 0.46326(4) 0.87026(4) 0.05011(18) Uani 1 1 d . . .
W2 W 0.92318(4) 0.32523(3) 0.84992(4) 0.04813(17) Uani 1 1 d . . .
W3 W 0.91497(4) 0.52404(4) 0.79486(3) 0.05032(18) Uani 1 1 d . . .
W4 W 1.23449(4) 0.44656(4) 1.07759(4) 0.04780(17) Uani 1 1 d . . .
W5 W 1.01734(4) 0.30139(3) 1.05450(3) 0.04431(16) Uani 1 1 d . . .
W6 W 0.78285(4) 0.35811(3) 0.98549(3) 0.04308(16) Uani 1 1 d . . .
C1 C 0.8548(9) 0.0579(7) 0.5319(8) 0.038(3) Uani 1 1 d . . .
H1 H 0.8064 0.0291 0.4863 0.045 Uiso 1 1 calc R U .
C2 C 0.9114(10) 0.1272(8) 0.5223(8) 0.043(3) Uani 1 1 d . . .
C3 C 0.9826(11) 0.1705(9) 0.5912(9) 0.054(4) Uani 1 1 d . . .
C4 C 0.9941(11) 0.1432(9) 0.6662(8) 0.053(4) Uani 1 1 d . . .
H4 H 1.0410 0.1730 0.7121 0.064 Uiso 1 1 calc R U .
C5 C 0.9353(10) 0.0717(9) 0.6715(8) 0.045(3) Uani 1 1 d . . .
C6 C 0.8629(10) 0.0269(9) 0.6033(8) 0.045(3) Uani 1 1 d . . .
C7 C 0.8057(10) -0.0570(8) 0.6118(9) 0.049(4) Uani 1 1 d . . .
H7 H 0.7913 -0.0492 0.6637 0.059 Uiso 1 1 calc R U .
C8 C 0.8780(10) -0.1189(8) 0.6208(8) 0.043(3) Uani 1 1 d . . .
C9 C 0.8756(11) -0.1754(9) 0.6766(9) 0.051(4) Uani 1 1 d . . .
C10 C 0.9449(13) -0.2256(9) 0.6925(9) 0.063(5) Uani 1 1 d . . .
H10 H 0.9437 -0.2622 0.7300 0.076 Uiso 1 1 calc R U .
C11 C 1.0170(11) -0.2215(9) 0.6523(8) 0.053(4) Uani 1 1 d . . .
C12 C 1.0185(11) -0.1687(8) 0.5944(8) 0.052(4) Uani 1 1 d . . .
C13 C 0.9497(11) -0.1178(9) 0.5831(9) 0.054(4) Uani 1 1 d . . .
H13 H 0.9524 -0.0800 0.5470 0.065 Uiso 1 1 calc R U .
C14 C 1.1238(13) -0.2917(11) 0.7465(9) 0.071(5) Uani 1 1 d . . .
H14A H 1.0755 -0.3358 0.7538 0.085 Uiso 1 1 calc R U .
H14B H 1.1344 -0.2455 0.7884 0.085 Uiso 1 1 calc R U .
C15 C 1.2182(14) -0.3201(12) 0.7488(10) 0.080(6) Uani 1 1 d . . .
H15A H 1.2491 -0.3316 0.8028 0.096 Uiso 1 1 calc R U .
H15B H 1.2630 -0.2770 0.7359 0.096 Uiso 1 1 calc R U .
C16 C 1.1991(13) -0.3957(11) 0.6895(12) 0.081(6) Uani 1 1 d . . .
H16A H 1.1515 -0.3895 0.6396 0.097 Uiso 1 1 calc R U .
H16B H 1.1709 -0.4425 0.7108 0.097 Uiso 1 1 calc R U .
C17 C 1.3739(15) -0.4320(12) 0.7287(13) 0.094(7) Uani 1 1 d . . .
H17 H 1.3794 -0.4429 0.7812 0.113 Uiso 1 1 calc R U .
C18 C 1.4429(16) -0.4316(12) 0.6877(14) 0.090(6) Uani 1 1 d . . .
H18 H 1.5050 -0.4451 0.7084 0.109 Uiso 1 1 calc R U .
C19 C 1.3189(16) -0.3992(12) 0.6068(9) 0.075(6) Uani 1 1 d . . .
C20 C 1.2638(18) -0.3720(17) 0.5385(11) 0.189(17) Uani 1 1 d G . .
C21 C 1.1686(19) -0.4159(12) 0.5016(12) 0.20(2) Uani 1 1 d G . .
H21 H 1.1440 -0.4606 0.5236 0.239 Uiso 1 1 calc R U .
C22 C 1.1102(15) -0.3931(14) 0.4318(13) 0.188(12) Uani 1 1 d G U .
H22 H 1.0465 -0.4224 0.4071 0.225 Uiso 1 1 calc R U .
C23 C 1.147(2) -0.3264(15) 0.3989(11) 0.167(10) Uani 1 1 d G U .
H23 H 1.1079 -0.3111 0.3522 0.200 Uiso 1 1 calc R U .
C24 C 1.242(2) -0.2825(13) 0.4358(17) 0.290(17) Uani 1 1 d G U .
H24 H 1.2668 -0.2379 0.4138 0.348 Uiso 1 1 calc R U .
N3 N 1.3006(16) -0.3053(17) 0.5056(17) 0.38(2) Uani 1 1 d G U .
C25 C 0.760(2) -0.2510(13) 0.7248(19) 0.148(12) Uani 1 1 d . . .
H25A H 0.8035 -0.2751 0.7657 0.178 Uiso 1 1 calc R U .
H25B H 0.7407 -0.2874 0.6740 0.178 Uiso 1 1 calc R U .
C26 C 0.667(2) -0.2372(14) 0.7504(16) 0.143(11) Uani 1 1 d . . .
H26A H 0.6363 -0.1953 0.7225 0.172 Uiso 1 1 calc R U .
H26B H 0.6182 -0.2879 0.7379 0.172 Uiso 1 1 calc R U .
C27 C 0.7037(15) -0.2096(12) 0.8408(14) 0.098(7) Uani 1 1 d . . .
H27A H 0.7546 -0.1606 0.8533 0.118 Uiso 1 1 calc R U .
H27B H 0.7313 -0.2526 0.8687 0.118 Uiso 1 1 calc R U .
C28 C 0.5516(15) -0.2471(11) 0.8877(13) 0.093(7) Uani 1 1 d . . .
H28 H 0.5567 -0.3021 0.8908 0.112 Uiso 1 1 calc R U .
C29 C 0.4800(13) -0.2113(11) 0.9037(14) 0.095(7) Uani 1 1 d . . .
H29 H 0.4252 -0.2367 0.9173 0.115 Uiso 1 1 calc R U .
C30 C 0.5824(11) -0.1207(10) 0.8704(10) 0.063(4) Uani 1 1 d . . .
C31 C 0.6244(12) -0.0381(9) 0.8562(9) 0.055(4) Uani 1 1 d . . .
C32 C 0.7013(13) -0.0209(11) 0.8235(10) 0.072(5) Uani 1 1 d . . .
H32 H 0.7325 -0.0627 0.8090 0.087 Uiso 1 1 calc R U .
C33 C 0.7321(14) 0.0598(11) 0.8121(13) 0.087(6) Uani 1 1 d . . .
H33 H 0.7830 0.0719 0.7888 0.104 Uiso 1 1 calc R U .
C34 C 0.6877(15) 0.1202(12) 0.8351(13) 0.094(6) Uani 1 1 d . . .
H34 H 0.7075 0.1744 0.8282 0.113 Uiso 1 1 calc R U .
C35 C 0.6129(13) 0.0998(10) 0.8686(12) 0.076(5) Uani 1 1 d . . .
H35 H 0.5838 0.1420 0.8858 0.092 Uiso 1 1 calc R U .
C36 C 1.0241(12) 0.0719(12) 0.8097(9) 0.073(5) Uani 1 1 d . . .
H36A H 1.0256 0.1291 0.8287 0.088 Uiso 1 1 calc R U .
H36B H 1.0845 0.0674 0.7956 0.088 Uiso 1 1 calc R U .
C37 C 1.0113(13) 0.0172(16) 0.8732(11) 0.114(9) Uani 1 1 d . . .
H37A H 1.0010 -0.0397 0.8489 0.137 Uiso 1 1 calc R U .
H37B H 0.9514 0.0252 0.8866 0.137 Uiso 1 1 calc R U .
C38 C 1.0959(13) 0.0299(16) 0.9525(11) 0.117(9) Uani 1 1 d . . .
H38A H 1.1142 0.0881 0.9738 0.141 Uiso 1 1 calc DR U .
H38B H 1.0736 0.0009 0.9921 0.141 Uiso 1 1 calc R U .
C39 C 1.1914(16) -0.0833(16) 0.9412(12) 0.103(8) Uani 1 1 d . . .
H39 H 1.1430 -0.1248 0.9467 0.124 Uiso 1 1 calc R U .
C40 C 1.2777(18) -0.0922(13) 0.9338(12) 0.093(6) Uani 1 1 d . . .
H40 H 1.3019 -0.1413 0.9347 0.112 Uiso 1 1 calc R U .
C41 C 1.2707(11) 0.0351(10) 0.9274(9) 0.055(4) Uani 1 1 d . . .
C42 C 1.2911(14) 0.1203(13) 0.9157(10) 0.075(5) Uani 1 1 d . . .
C43 C 1.2369(15) 0.1733(10) 0.9073(13) 0.148(13) Uani 1 1 d . . .
H43 H 1.1711 0.1516 0.9018 0.177 Uiso 1 1 calc DR U .
C44 C 1.251(3) 0.246(2) 0.9046(19) 0.156(11) Uani 1 1 d . U .
H44 H 1.2095 0.2782 0.9200 0.187 Uiso 1 1 calc R U .
C45 C 1.323(3) 0.2781(15) 0.8802(17) 0.167(15) Uani 1 1 d . . .
H45 H 1.3234 0.3280 0.8595 0.201 Uiso 1 1 calc R U .
C46 C 1.395(3) 0.2392(17) 0.885(3) 0.218(19) Uani 1 1 d . . .
H46 H 1.4538 0.2643 0.8774 0.261 Uiso 1 1 calc R U .
C47 C 1.1125(14) 0.2872(10) 0.6491(11) 0.079(5) Uani 1 1 d . . .
H47A H 1.1539 0.2512 0.6768 0.095 Uiso 1 1 calc R U .
H47B H 1.0830 0.3131 0.6868 0.095 Uiso 1 1 calc R U .
C48 C 1.1740(14) 0.3527(11) 0.6179(11) 0.079(5) Uani 1 1 d . . .
H48A H 1.1321 0.3876 0.5887 0.094 Uiso 1 1 calc R U .
H48B H 1.2246 0.3870 0.6628 0.094 Uiso 1 1 calc R U .
C49 C 1.2217(13) 0.3092(9) 0.5621(11) 0.071(5) Uani 1 1 d . . .
H49A H 1.2675 0.2784 0.5934 0.085 Uiso 1 1 calc R U .
H49B H 1.1707 0.2701 0.5215 0.085 Uiso 1 1 calc R U .
C50 C 1.2337(13) 0.3958(10) 0.4513(10) 0.071(5) Uani 1 1 d . . .
H50 H 1.1662 0.3909 0.4265 0.085 Uiso 1 1 calc R U .
C51 C 1.3038(14) 0.4327(11) 0.4251(11) 0.075(5) Uani 1 1 d . . .
H51 H 1.2947 0.4597 0.3796 0.090 Uiso 1 1 calc R U .
C52 C 1.3757(11) 0.3865(10) 0.5374(10) 0.060(4) Uani 1 1 d . . .
C53 C 1.4535(13) 0.3741(9) 0.6044(10) 0.062(4) Uani 1 1 d . . .
C54 C 1.4487(13) 0.3608(12) 0.6806(10) 0.081(6) Uani 1 1 d . . .
H54 H 1.3871 0.3542 0.6900 0.097 Uiso 1 1 calc R U .
C55 C 1.5304(18) 0.3569(15) 0.7436(13) 0.115(8) Uani 1 1 d . . .
H55 H 1.5255 0.3477 0.7945 0.138 Uiso 1 1 calc R U .
C56 C 1.6180(15) 0.3673(13) 0.7271(14) 0.102(7) Uani 1 1 d . . .
H56 H 1.6753 0.3637 0.7671 0.123 Uiso 1 1 calc R U .
C57 C 1.6238(15) 0.3836(12) 0.6492(12) 0.089(6) Uani 1 1 d . . .
H57 H 1.6851 0.3917 0.6393 0.107 Uiso 1 1 calc R U .
C58 C 0.8945(12) 0.1621(10) 0.4409(8) 0.062(4) Uani 1 1 d . . .
H58 H 0.8811 0.2179 0.4502 0.075 Uiso 1 1 calc R U .
C59 C 0.8000(10) 0.1095(11) 0.3765(8) 0.092(7) Uani 1 1 d G . .
C60 C 0.7056(13) 0.1276(11) 0.3650(10) 0.198(18) Uani 1 1 d G . .
H60 H 0.6971 0.1763 0.3911 0.237 Uiso 1 1 calc R U .
C61 C 0.6240(9) 0.0729(15) 0.3143(11) 0.180(17) Uani 1 1 d G . .
H61 H 0.5608 0.0850 0.3066 0.216 Uiso 1 1 calc R U .
C62 C 0.6367(13) 0.0001(14) 0.2752(10) 0.244(17) Uani 1 1 d G U .
H62 H 0.5821 -0.0365 0.2414 0.293 Uiso 1 1 calc R U .
C63 C 0.7311(17) -0.0179(12) 0.2868(11) 0.186(12) Uani 1 1 d G U .
H63 H 0.7397 -0.0666 0.2606 0.223 Uiso 1 1 calc R U .
C64 C 0.8128(11) 0.0368(13) 0.3374(10) 0.196(18) Uani 1 1 d G . .
H64 H 0.8759 0.0247 0.3451 0.236 Uiso 1 1 calc R U .
C65 C 0.7106(13) -0.0841(10) 0.5509(11) 0.069(5) Uani 1 1 d . . .
C66 C 0.6236(16) -0.0767(19) 0.5660(16) 0.145(12) Uani 1 1 d . . .
H66 H 0.6255 -0.0541 0.6176 0.174 Uiso 1 1 calc R U .
C67 C 0.531(2) -0.101(2) 0.508(3) 0.166(15) Uani 1 1 d . . .
H67 H 0.4738 -0.0939 0.5206 0.199 Uiso 1 1 calc R U .
C68 C 0.527(2) -0.137(2) 0.430(3) 0.182(17) Uani 1 1 d . . .
H68 H 0.4652 -0.1560 0.3922 0.219 Uiso 1 1 calc R U .
C69 C 0.608(2) -0.1443(16) 0.4087(17) 0.139(11) Uani 1 1 d . . .
H69 H 0.6053 -0.1645 0.3562 0.167 Uiso 1 1 calc R U .
C70 C 0.7049(16) -0.1186(10) 0.4739(16) 0.113(9) Uani 1 1 d . . .
H70 H 0.7630 -0.1261 0.4621 0.136 Uiso 1 1 calc R U .
N1 N 1.2929(11) -0.4121(8) 0.6723(8) 0.073(4) Uani 1 1 d . . .
N2 N 1.4108(13) -0.4095(9) 0.6138(11) 0.083(4) Uani 1 1 d . . .
N4 N 0.6148(11) -0.1916(9) 0.8665(8) 0.076(4) Uani 1 1 d . . .
N5 N 0.5035(10) -0.1276(8) 0.8962(9) 0.076(4) Uani 1 1 d . . .
N6 N 0.5782(9) 0.0210(9) 0.8786(8) 0.067(4) Uani 1 1 d . . .
N7 N 1.1846(10) -0.0009(12) 0.9395(8) 0.077(4) Uani 1 1 d . . .
N8 N 1.3264(10) -0.0196(8) 0.9247(8) 0.064(4) Uani 1 1 d . . .
N9 N 1.383(3) 0.1499(18) 0.905(2) 0.219(14) Uani 1 1 d . . .
N10 N 1.2752(10) 0.3656(8) 0.5212(8) 0.067(4) Uani 1 1 d . . .
N11 N 1.3935(10) 0.4248(9) 0.4762(8) 0.068(4) Uani 1 1 d . . .
N12 N 1.5437(11) 0.3874(8) 0.5908(9) 0.071(4) Uani 1 1 d . . .
O3 O 0.8734(9) 0.5383(7) 0.6973(6) 0.083(4) Uani 1 1 d . . .
O5 O 0.8812(9) 0.4087(7) 0.7884(9) 0.105(5) Uani 1 1 d . . .
O6 O 1.0549(9) 0.3658(7) 0.8467(9) 0.108(5) Uani 1 1 d . . .
O2 O 1.2139(8) 0.4467(6) 0.8078(6) 0.063(3) Uani 1 1 d . . .
O4 O 1.0460(8) 0.5140(6) 0.8047(9) 0.105(5) Uani 1 1 d . . .
O10 O 0.7991(9) 0.5283(8) 0.8275(8) 0.096(4) Uani 1 1 d . . .
O7 O 0.8138(8) 0.3230(8) 0.8889(6) 0.081(4) Uani 1 1 d . . .
O8 O 0.9872(7) 0.2789(8) 0.9416(6) 0.085(4) Uani 1 1 d . . .
O9 O 1.2167(12) 0.4261(6) 0.9626(6) 0.102(5) Uani 1 1 d . . .
O11 O 0.7297(12) 0.4417(7) 0.9278(6) 0.100(5) Uani 1 1 d . . .
O12 O 0.6798(7) 0.2907(7) 0.9769(6) 0.073(3) Uani 1 1 d . . .
O13 O 0.8801(7) 0.3014(8) 1.0413(6) 0.076(4) Uani 1 1 d . . .
O15 O 1.0402(8) 0.3690(8) 1.1578(7) 0.091(4) Uani 1 1 d . . .
O14 O 1.0248(8) 0.2070(6) 1.0799(7) 0.073(3) Uani 1 1 d . . .
O17 O 1.3455(8) 0.4199(7) 1.1130(7) 0.079(4) Uani 1 1 d . . .
O16 O 1.1505(8) 0.3432(8) 1.0617(7) 0.089(4) Uani 1 1 d . . .
O1 O 0.8871(10) 0.2420(7) 0.7788(6) 0.083(4) Uani 1 1 d . . .
O18 O 0.7951(12) 0.4282(6) 1.0817(6) 0.104(5) Uani 1 1 d . . .
O23 O 1.0371(8) 0.2413(6) 0.5809(6) 0.062(3) Uani 1 1 d . . .
O24 O 0.9400(7) 0.0409(7) 0.7433(5) 0.064(3) Uani 1 1 d . . .
O25 O 0.8047(8) -0.1744(7) 0.7169(7) 0.070(3) Uani 1 1 d . . .
O26 O 1.0914(8) -0.2674(7) 0.6677(6) 0.071(3) Uani 1 1 d . . .
O19 O 1.0651(10) 0.4462(9) 1.0610(9) 0.030(4) Uani 0.5 1 d . . P
O21 O 0.8860(11) 0.4878(9) 1.0057(9) 0.035(4) Uani 0.5 1 d . . P
O20 O 0.9954(12) 0.4650(9) 0.9065(10) 0.036(4) Uani 0.5 1 d . . P
O22 O 1.0456(12) 0.5936(10) 1.0189(9) 0.038(4) Uani 0.5 1 d . . P
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
O22 Si1 O22 180.0(12) 2_767 .
O22 Si1 O19 112.1(8) 2_767 2_767
O22 Si1 O19 67.9(8) . 2_767
O22 Si1 O19 67.9(8) 2_767 .
O22 Si1 O19 112.1(8) . .
O19 Si1 O19 180.0 2_767 .
O22 Si1 O21 71.2(8) 2_767 .
O22 Si1 O21 108.8(8) . .
O19 Si1 O21 69.3(7) 2_767 .
O19 Si1 O21 110.7(7) . .
O22 Si1 O21 108.8(8) 2_767 2_767
O22 Si1 O21 71.2(8) . 2_767
O19 Si1 O21 110.7(7) 2_767 2_767
O19 Si1 O21 69.3(7) . 2_767
O21 Si1 O21 180.0 . 2_767
O22 Si1 O20 109.5(8) 2_767 2_767
O22 Si1 O20 70.5(8) . 2_767
O19 Si1 O20 108.0(7) 2_767 2_767
O19 Si1 O20 72.0(7) . 2_767
O21 Si1 O20 72.3(8) . 2_767
O21 Si1 O20 107.7(8) 2_767 2_767
O22 Si1 O20 70.5(8) 2_767 .
O22 Si1 O20 109.5(8) . .
O19 Si1 O20 72.0(7) 2_767 .
O19 Si1 O20 108.0(7) . .
O21 Si1 O20 107.7(8) . .
O21 Si1 O20 72.3(8) 2_767 .
O20 Si1 O20 180.0(9) 2_767 .
N8 Cu1 N6 159.1(5) . 1_655
N8 Cu1 N5 118.7(6) . 1_655
N6 Cu1 N5 80.1(6) 1_655 1_655
N8 Cu1 Cu1 89.2(4) . 2_857
N6 Cu1 Cu1 98.1(4) 1_655 2_857
N5 Cu1 Cu1 96.2(4) 1_655 2_857
N2 Cu2 N11 131.6(7) . 2_856
N2 Cu2 N12 142.5(7) . 2_856
N11 Cu2 N12 81.2(6) 2_856 2_856
O2 W1 O6 101.8(6) . .
O2 W1 O9 100.4(6) . .
O6 W1 O9 89.3(6) . .
O2 W1 O18 99.9(6) . 2_767
O6 W1 O18 158.2(7) . 2_767
O9 W1 O18 88.6(5) . 2_767
O2 W1 O4 101.2(6) . .
O6 W1 O4 89.4(5) . .
O9 W1 O4 158.2(6) . .
O18 W1 O4 84.7(5) 2_767 .
O2 W1 O20 156.0(6) . .
O6 W1 O20 63.0(6) . .
O9 W1 O20 97.9(6) . .
O18 W1 O20 95.9(6) 2_767 .
O4 W1 O20 62.3(5) . .
O2 W1 O21 156.0(5) . 2_767
O6 W1 O21 96.8(6) . 2_767
O9 W1 O21 64.6(5) . 2_767
O18 W1 O21 62.9(5) 2_767 2_767
O4 W1 O21 94.0(6) . 2_767
O20 W1 O21 47.9(5) . 2_767
O1 W2 O7 102.1(6) . .
O1 W2 O5 101.4(6) . .
O7 W2 O5 89.2(5) . .
O1 W2 O8 100.9(5) . .
O7 W2 O8 88.9(4) . .
O5 W2 O8 157.5(6) . .
O1 W2 O6 102.4(7) . .
O7 W2 O6 155.4(6) . .
O5 W2 O6 87.7(5) . .
O8 W2 O6 84.8(5) . .
O1 W2 O20 156.3(6) . .
O7 W2 O20 95.1(6) . .
O5 W2 O20 62.4(6) . .
O8 W2 O20 95.5(5) . .
O6 W2 O20 62.0(6) . .
O1 W2 O22 158.3(6) . 2_767
O7 W2 O22 64.8(5) . 2_767
O5 W2 O22 95.8(6) . 2_767
O8 W2 O22 63.3(5) . 2_767
O6 W2 O22 91.3(6) . 2_767
O20 W2 O22 45.3(5) . 2_767
O3 W3 O15 100.0(6) . 2_767
O3 W3 O4 102.0(6) . .
O15 W3 O4 88.4(5) 2_767 .
O3 W3 O5 102.0(6) . .
O15 W3 O5 157.8(6) 2_767 .
O4 W3 O5 89.6(5) . .
O3 W3 O10 100.3(6) . .
O15 W3 O10 87.7(5) 2_767 .
O4 W3 O10 157.7(6) . .
O5 W3 O10 85.9(5) . .
O3 W3 O20 158.2(6) . .
O15 W3 O20 96.1(6) 2_767 .
O4 W3 O20 63.6(5) . .
O5 W3 O20 63.4(6) . .
O10 W3 O20 95.0(6) . .
O3 W3 O19 154.2(5) . 2_767
O15 W3 O19 62.6(5) 2_767 2_767
O4 W3 O19 96.6(6) . 2_767
O5 W3 O19 95.8(6) . 2_767
O10 W3 O19 62.3(5) . 2_767
O20 W3 O19 47.6(5) . 2_767
O17 W4 O11 101.5(6) . 2_767
O17 W4 O10 102.0(6) . 2_767
O11 W4 O10 90.8(5) 2_767 2_767
O17 W4 O16 100.6(5) . .
O11 W4 O16 157.7(6) 2_767 .
O10 W4 O16 87.8(5) 2_767 .
O17 W4 O9 100.1(6) . .
O11 W4 O9 87.9(5) 2_767 .
O10 W4 O9 157.6(6) 2_767 .
O16 W4 O9 85.1(5) . .
O17 W4 O19 157.4(5) . .
O11 W4 O19 96.8(6) 2_767 .
O10 W4 O19 64.4(5) 2_767 .
O16 W4 O19 62.6(5) . .
O9 W4 O19 93.5(6) . .
O17 W4 O21 156.3(6) . 2_767
O11 W4 O21 62.2(5) 2_767 2_767
O10 W4 O21 95.7(6) 2_767 2_767
O16 W4 O21 95.7(5) . 2_767
O9 W4 O21 64.1(5) . 2_767
O19 W4 O21 46.2(5) . 2_767
O14 W5 O8 100.6(6) . .
O14 W5 O16 101.6(6) . .
O8 W5 O16 90.1(5) . .
O14 W5 O13 100.0(5) . .
O8 W5 O13 88.4(4) . .
O16 W5 O13 158.2(6) . .
O14 W5 O15 103.4(6) . .
O8 W5 O15 156.0(6) . .
O16 W5 O15 86.9(5) . .
O13 W5 O15 85.6(5) . .
O14 W5 O19 157.4(5) . .
O8 W5 O19 95.1(5) . .
O16 W5 O19 62.0(5) . .
O13 W5 O19 96.4(5) . .
O15 W5 O19 62.5(5) . .
O14 W5 O22 158.6(6) . 2_767
O8 W5 O22 64.4(5) . 2_767
O16 W5 O22 93.9(6) . 2_767
O13 W5 O22 65.9(5) . 2_767
O15 W5 O22 92.0(6) . 2_767
O19 W5 O22 43.9(5) . 2_767
O12 W6 O13 100.6(5) . .
O12 W6 O18 101.9(6) . .
O13 W6 O18 91.4(5) . .
O12 W6 O7 101.6(6) . .
O13 W6 O7 87.6(4) . .
O18 W6 O7 156.2(6) . .
O12 W6 O11 101.2(6) . .
O13 W6 O11 158.0(6) . .
O18 W6 O11 87.0(4) . .
O7 W6 O11 85.1(5) . .
O12 W6 O21 157.5(6) . .
O13 W6 O21 97.2(5) . .
O18 W6 O21 63.8(6) . .
O7 W6 O21 92.8(6) . .
O11 W6 O21 62.5(6) . .
O12 W6 O22 157.3(6) . 2_767
O13 W6 O22 64.0(5) . 2_767
O18 W6 O22 95.4(6) . 2_767
O7 W6 O22 62.9(5) . 2_767
O11 W6 O22 94.2(6) . 2_767
O21 W6 O22 45.2(6) . 2_767
C2 C1 C6 125.3(13) . .
C1 C2 C3 116.9(12) . .
C1 C2 C58 122.9(13) . .
C3 C2 C58 120.1(13) . .
O23 C3 C4 122.9(14) . .
O23 C3 C2 116.1(12) . .
C4 C3 C2 120.9(13) . .
C5 C4 C3 119.2(13) . .
C4 C5 O24 123.2(12) . .
C4 C5 C6 121.1(12) . .
O24 C5 C6 115.6(12) . .
C1 C6 C5 116.5(12) . .
C1 C6 C7 124.7(13) . .
C5 C6 C7 118.5(11) . .
C65 C7 C6 114.5(12) . .
C65 C7 C8 115.9(13) . .
C6 C7 C8 107.5(11) . .
C13 C8 C9 117.3(11) . .
C13 C8 C7 123.8(11) . .
C9 C8 C7 118.6(12) . .
C10 C9 O25 122.3(12) . .
C10 C9 C8 120.5(13) . .
O25 C9 C8 117.2(12) . .
C9 C10 C11 119.7(12) . .
O26 C11 C10 122.8(11) . .
O26 C11 C12 116.2(13) . .
C10 C11 C12 121.0(12) . .
C13 C12 C11 116.9(13) . .
C13 C12 C58 124.9(12) . 2_756
C11 C12 C58 117.5(13) . 2_756
C8 C13 C12 124.6(13) . .
O26 C14 C15 104.5(12) . .
C14 C15 C16 110.1(16) . .
C15 C16 N1 111.4(15) . .
C18 C17 N1 102.9(18) . .
N2 C18 C17 112.1(18) . .
N1 C19 N2 112.2(15) . .
N1 C19 C20 127(2) . .
N2 C19 C20 120.6(19) . .
C19 C20 C21 117(2) . .
C19 C20 N3 123(2) . .
C21 C20 N3 120.0 . .
C22 C21 C20 120.0 . .
C21 C22 C23 120.0 . .
C22 C23 C24 120.0 . .
N3 C24 C23 120.0 . .
C24 N3 C20 120.0 . .
O25 C25 C26 105.7(17) . .
C27 C26 C25 105(2) . .
C26 C27 N4 106.3(17) . .
C29 C28 N4 109.4(15) . .
C28 C29 N5 106.6(15) . .
N5 C30 N4 111.4(15) . .
N5 C30 C31 117.9(14) . .
N4 C30 C31 130.5(15) . .
N6 C31 C32 121.9(15) . .
N6 C31 C30 112.4(14) . .
C32 C31 C30 125.7(14) . .
C31 C32 C33 119.5(16) . .
C34 C33 C32 119.6(19) . .
C33 C34 C35 118.5(18) . .
C34 C35 N6 123.9(17) . .
O24 C36 C37 103.6(14) . .
C36 C37 C38 117.3(17) . .
N7 C38 C37 111.2(17) . .
C40 C39 N7 108(2) . .
C39 C40 N8 109.5(19) . .
N8 C41 N7 109.5(15) . .
N8 C41 C42 127.1(16) . .
N7 C41 C42 123.3(15) . .
C43 C42 N9 111(2) . .
C43 C42 C41 130.7(19) . .
N9 C42 C41 117.6(18) . .
C44 C43 C42 134(3) . .
C43 C44 C45 119(3) . .
C46 C45 C44 117(3) . .
C45 C46 N9 119(3) . .
O23 C47 C48 107.4(14) . .
C49 C48 C47 108.1(14) . .
N10 C49 C48 113.5(13) . .
C51 C50 N10 109.3(15) . .
C50 C51 N11 108.3(15) . .
N11 C52 N10 107.3(13) . .
N11 C52 C53 122.3(15) . .
N10 C52 C53 130.4(16) . .
N12 C53 C54 118.8(15) . .
N12 C53 C52 112.7(16) . .
C54 C53 C52 128.0(17) . .
C55 C54 C53 123.4(18) . .
C56 C55 C54 116(2) . .
C55 C56 C57 120.7(17) . .
N12 C57 C56 121(2) . .
C12 C58 C2 115.5(12) 2_756 .
C12 C58 C59 109.2(12) 2_756 .
C2 C58 C59 110.1(12) . .
C60 C59 C64 120.0 . .
C60 C59 C58 123.2(14) . .
C64 C59 C58 116.4(14) . .
C59 C60 C61 120.0 . .
C62 C61 C60 120.0 . .
C61 C62 C63 120.0 . .
C64 C63 C62 120.0 . .
C63 C64 C59 120.0 . .
C66 C65 C70 117(2) . .
C66 C65 C7 122.4(19) . .
C70 C65 C7 120.9(18) . .
C65 C66 C67 123(3) . .
C66 C67 C68 119(3) . .
C69 C68 C67 122(3) . .
C68 C69 C70 117(3) . .
C65 C70 C69 122(2) . .
C19 N1 C17 107.8(16) . .
C19 N1 C16 126.5(15) . .
C17 N1 C16 125.0(16) . .
C19 N2 C18 104.8(16) . .
C19 N2 Cu2 125.1(14) . .
C18 N2 Cu2 128.0(14) . .
C30 N4 C28 106.8(14) . .
C30 N4 C27 128.1(16) . .
C28 N4 C27 125.1(15) . .
C30 N5 C29 105.6(13) . .
C30 N5 Cu1 113.0(11) . 1_455
C29 N5 Cu1 141.4(12) . 1_455
C31 N6 C35 116.6(14) . .
C31 N6 Cu1 116.1(11) . 1_455
C35 N6 Cu1 126.8(12) . 1_455
C41 N7 C39 105.1(15) . .
C41 N7 C38 134.6(18) . .
C39 N7 C38 120.3(19) . .
C41 N8 C40 108.2(16) . .
C41 N8 Cu1 134.7(12) . .
C40 N8 Cu1 117.0(13) . .
C42 N9 C46 114(2) . .
C52 N10 C50 107.0(14) . .
C52 N10 C49 126.5(14) . .
C50 N10 C49 125.7(14) . .
C52 N11 C51 107.9(14) . .
C52 N11 Cu2 109.1(10) . 2_856
C51 N11 Cu2 139.8(12) . 2_856
C57 N12 C53 119.8(17) . .
C57 N12 Cu2 128.6(14) . 2_856
C53 N12 Cu2 111.5(11) . 2_856
W3 O5 W2 137.7(8) . .
W1 O6 W2 139.4(8) . .
W3 O4 W1 137.4(7) . .
W4 O10 W3 138.5(7) 2_767 .
W2 O7 W6 139.6(7) . .
W5 O8 W2 137.7(7) . .
W1 O9 W4 136.4(7) . .
W4 O11 W6 138.8(8) 2_767 .
W6 O13 W5 136.8(6) . .
W3 O15 W5 139.9(7) 2_767 .
W4 O16 W5 138.5(7) . .
W1 O18 W6 137.7(7) 2_767 .
C3 O23 C47 118.5(12) . .
C5 O24 C36 117.8(12) . .
C25 O25 C9 114.4(13) . .
C11 O26 C14 118.8(10) . .
Si1 O19 O22 54.1(6) . 2_767
Si1 O19 W4 123.5(7) . .
O22 O19 W4 134.2(10) 2_767 .
Si1 O19 W5 122.4(8) . .
O22 O19 W5 68.3(7) 2_767 .
W4 O19 W5 96.6(5) . .
Si1 O19 W3 118.2(7) . 2_767
O22 O19 W3 128.3(9) 2_767 2_767
W4 O19 W3 94.6(5) . 2_767
W5 O19 W3 94.7(5) . 2_767
Si1 O21 W6 123.4(8) . .
Si1 O21 W4 120.9(8) . 2_767
W6 O21 W4 96.2(5) . 2_767
Si1 O21 W1 119.6(7) . 2_767
W6 O21 W1 95.5(6) . 2_767
W4 O21 W1 94.6(6) 2_767 2_767
Si1 O20 W3 122.1(7) . .
Si1 O20 W1 120.1(8) . .
W3 O20 W1 96.0(6) . .
Si1 O20 W2 120.8(8) . .
W3 O20 W2 96.2(6) . .
W1 O20 W2 95.2(6) . .
Si1 O22 O19 58.0(7) . 2_767
Si1 O22 W5 125.7(8) . 2_767
O19 O22 W5 67.8(6) 2_767 2_767
Si1 O22 W2 123.4(8) . 2_767
O19 O22 W2 132.5(10) 2_767 2_767
W5 O22 W2 93.8(6) 2_767 2_767
Si1 O22 W6 120.2(9) . 2_767
O19 O22 W6 130.4(9) 2_767 2_767
W5 O22 W6 92.9(5) 2_767 2_767
W2 O22 W6 92.2(5) 2_767 2_767
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Si1 O22 1.559(16) 2_767
Si1 O22 1.559(16) .
Si1 O19 1.632(13) 2_767
Si1 O19 1.632(13) .
Si1 O21 1.642(16) .
Si1 O21 1.642(16) 2_767
Si1 O20 1.652(17) 2_767
Si1 O20 1.653(17) .
Cu1 N8 1.928(14) .
Cu1 N6 2.009(13) 1_655
Cu1 N5 2.051(13) 1_655
Cu1 Cu1 2.989(4) 2_857
Cu2 N2 1.916(16) .
Cu2 N11 2.015(13) 2_856
Cu2 N12 2.119(14) 2_856
W1 O2 1.687(9) .
W1 O6 1.842(13) .
W1 O9 1.865(10) .
W1 O18 1.882(12) 2_767
W1 O4 1.907(9) .
W1 O20 2.386(16) .
W1 O21 2.406(17) 2_767
W2 O1 1.679(10) .
W2 O7 1.862(11) .
W2 O5 1.892(10) .
W2 O8 1.896(9) .
W2 O6 1.919(13) .
W2 O20 2.391(16) .
W2 O22 2.428(16) 2_767
W3 O3 1.685(9) .
W3 O15 1.826(13) 2_767
W3 O4 1.867(11) .
W3 O5 1.887(11) .
W3 O10 1.900(12) .
W3 O20 2.344(14) .
W3 O19 2.435(15) 2_767
W4 O17 1.677(9) .
W4 O11 1.865(11) 2_767
W4 O10 1.866(12) 2_767
W4 O16 1.889(13) .
W4 O9 1.932(11) .
W4 O19 2.356(14) .
W4 O21 2.391(14) 2_767
W5 O14 1.675(8) .
W5 O8 1.876(10) .
W5 O16 1.891(12) .
W5 O13 1.910(10) .
W5 O15 1.944(12) .
W5 O19 2.379(15) .
W5 O22 2.389(14) 2_767
W6 O12 1.672(10) .
W6 O13 1.890(9) .
W6 O18 1.896(11) .
W6 O7 1.910(11) .
W6 O11 1.910(9) .
W6 O21 2.356(15) .
W6 O22 2.486(17) 2_767
C1 C2 1.355(17) .
C1 C6 1.366(16) .
C2 C3 1.393(19) .
C2 C58 1.547(16) .
C3 O23 1.362(16) .
C3 C4 1.393(18) .
C4 C5 1.372(18) .
C5 O24 1.377(14) .
C5 C6 1.401(19) .
C6 C7 1.546(18) .
C7 C65 1.45(2) .
C7 C8 1.549(17) .
C8 C13 1.357(19) .
C8 C9 1.412(17) .
C9 C10 1.375(18) .
C9 O25 1.380(16) .
C10 C11 1.39(2) .
C11 O26 1.379(14) .
C11 C12 1.394(18) .
C12 C13 1.375(18) .
C12 C58 1.52(2) 2_756
C14 O26 1.434(15) .
C14 C15 1.48(2) .
C15 C16 1.49(2) .
C16 N1 1.51(2) .
C17 C18 1.36(3) .
C17 N1 1.40(2) .
C18 N2 1.34(2) .
C19 N1 1.31(2) .
C19 N2 1.32(2) .
C19 C20 1.39(2) .
C20 C21 1.3900 .
C20 N3 1.3900 .
C21 C22 1.3900 .
C22 C23 1.3900 .
C23 C24 1.3900 .
C24 N3 1.3900 .
C25 O25 1.37(2) .
C25 C26 1.55(3) .
C26 C27 1.51(3) .
C27 N4 1.52(2) .
C28 C29 1.34(2) .
C28 N4 1.34(2) .
C29 N5 1.405(19) .
C30 N5 1.315(19) .
C30 N4 1.328(18) .
C30 C31 1.48(2) .
C31 N6 1.346(18) .
C31 C32 1.37(2) .
C32 C33 1.39(2) .
C33 C34 1.35(2) .
C34 C35 1.36(2) .
C35 N6 1.37(2) .
C36 O24 1.409(17) .
C36 C37 1.52(2) .
C37 C38 1.54(2) .
C38 N7 1.50(2) .
C39 C40 1.30(3) .
C39 N7 1.39(3) .
C40 N8 1.34(2) .
C41 N8 1.298(17) .
C41 N7 1.36(2) .
C41 C42 1.44(2) .
C42 C43 1.25(2) .
C42 N9 1.40(3) .
C43 C44 1.19(3) .
C44 C45 1.29(4) .
C45 C46 1.28(4) .
C46 N9 1.54(3) .
C47 O23 1.426(19) .
C47 C48 1.53(2) .
C48 C49 1.52(2) .
C49 N10 1.47(2) .
C50 C51 1.30(2) .
C50 N10 1.370(18) .
C51 N11 1.376(19) .
C52 N11 1.349(19) .
C52 N10 1.369(19) .
C52 C53 1.43(2) .
C53 N12 1.36(2) .
C53 C54 1.38(2) .
C54 C55 1.38(2) .
C55 C56 1.35(3) .
C56 C57 1.43(3) .
C57 N12 1.318(19) .
C58 C12 1.52(2) 2_756
C58 C59 1.573(19) .
C59 C60 1.3900 .
C59 C64 1.3900 .
C60 C61 1.3900 .
C61 C62 1.3900 .
C62 C63 1.3900 .
C63 C64 1.3900 .
C65 C66 1.36(3) .
C65 C70 1.38(3) .
C66 C67 1.40(4) .
C67 C68 1.41(4) .
C68 C69 1.33(4) .
C69 C70 1.50(3) .
N5 Cu1 2.051(13) 1_455
N6 Cu1 2.009(13) 1_455
N11 Cu2 2.015(13) 2_856
N12 Cu2 2.119(14) 2_856
O10 W4 1.866(12) 2_767
O11 W4 1.865(11) 2_767
O15 W3 1.826(13) 2_767
O18 W1 1.882(12) 2_767
O19 O22 1.78(2) 2_767
O19 W3 2.435(15) 2_767
O21 W4 2.391(14) 2_767
O21 W1 2.406(17) 2_767
O22 O19 1.78(2) 2_767
O22 W5 2.389(14) 2_767
O22 W2 2.428(16) 2_767
O22 W6 2.486(17) 2_767
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.296 0.872 0.364 21 3 ' '
2 0.500 0.500 1.000 107 38 ' '
3 0.514 0.246 0.371 31 4 ' '
4 0.486 0.754 0.629 31 4 ' '
5 0.704 0.128 0.636 21 3 ' '
