#------------------------------------------------------------------------------
#$Date: 2015-09-01 14:24:52 +0300 (Tue, 01 Sep 2015) $
#$Revision: 153869 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/19/7221972.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_7221972
loop_
_publ_author_name
'Chai, Dong-Feng'
'Ma, Zhuo'
'Yan, Hong'
'Qiu, Yunfeng'
'Liu, Hong'
'Guo, Huadong'
'Gao, Guang-Gang'
_publ_section_title
;
 Synergistic Effect of Sandwich Polyoxometalates and Copper-Imidazole
 Complexes for Enhancing Peroxidase-like Activity
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C5RA13265G
_journal_year                    2015
_chemical_formula_sum            'C42 H112 Cu7 N28 Na4 O94 Sb2 W18'
_chemical_formula_weight         6602.89
_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-08-21 deposited with the CCDC.
2015-08-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 103.4610(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.0510(13)
_cell_length_b                   32.530(3)
_cell_length_c                   17.9902(17)
_cell_measurement_reflns_used    2950
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.3752
_cell_measurement_theta_min      2.2483
_cell_volume                     7997.0(13)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART CCD APEX II'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1053
_diffrn_reflns_av_unetI/netI     0.1051
_diffrn_reflns_laue_measured_fraction_full 0.999
_diffrn_reflns_laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            69047
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.066
_diffrn_reflns_theta_min         2.082
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    14.219
_exptl_absorpt_correction_T_max  0.429
_exptl_absorpt_correction_T_min  0.298
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'blue violet'
_exptl_crystal_density_diffrn    2.742
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5736.0
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.050
_platon_squeeze_details
;
;
_refine_diff_density_max         1.286
_refine_diff_density_min         -1.314
_refine_diff_density_rms         0.260
_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     812
_refine_ls_number_reflns         16113
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.998
_refine_ls_R_factor_all          0.0963
_refine_ls_R_factor_gt           0.0478
_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)+(0.0140P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0753
_refine_ls_wR_factor_ref         0.0826
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9318
_reflns_number_total             16113
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5ra13265g2.cif
_cod_data_source_block           2
_cod_database_code               7221972
_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.
;
_shelx_estimated_absorpt_t_min   0.396
_shelx_estimated_absorpt_t_max   0.536
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sb Sb 0.67120(6) 0.67587(3) 0.27331(5) 0.0231(2) Uani 1 1 d . . . . .
W1 W 0.87234(4) 0.65587(2) 0.43029(3) 0.02730(13) Uani 1 1 d . . . . .
W2 W 0.90360(4) 0.65554(2) 0.23219(3) 0.02967(14) Uani 1 1 d . . . . .
W3 W 0.70724(4) 0.65567(2) 0.08544(3) 0.03070(14) Uani 1 1 d . . . . .
W4 W 0.45997(4) 0.65644(2) 0.12218(3) 0.03158(14) Uani 1 1 d . . . . .
W5 W 0.43267(4) 0.65684(2) 0.30218(3) 0.02941(14) Uani 1 1 d . . . . .
W6 W 0.64795(4) 0.65540(2) 0.46489(3) 0.02767(13) Uani 1 1 d . . . . .
W7 W 0.73503(4) 0.57064(2) 0.39358(3) 0.02654(13) Uani 1 1 d . . . . .
W8 W 0.76251(4) 0.57039(2) 0.19255(3) 0.02871(14) Uani 1 1 d . . . . .
W9 W 0.51448(4) 0.57182(2) 0.23178(3) 0.02791(14) Uani 1 1 d . . . . .
Cu1 Cu 0.87426(15) 0.7500 0.32831(12) 0.0298(6) Uani 1 2 d S T P . .
Cu2 Cu 0.59304(15) 0.7500 0.11531(13) 0.0322(6) Uani 1 2 d S T P . .
Cu3 Cu 0.54836(15) 0.7500 0.37787(12) 0.0305(6) Uani 1 2 d S T P . .
Cu4 Cu 0.75978(12) 0.44513(6) 0.44514(10) 0.0440(5) Uani 1 1 d . . . . .
Cu5 Cu 0.40659(12) 0.45450(6) 0.18711(9) 0.0425(5) Uani 1 1 d . . . . .
Na1 Na 0.7804(5) 0.7500 0.4856(4) 0.039(2) Uani 1 2 d S T P . .
Na2 Na 0.8381(5) 0.7500 0.1344(4) 0.045(2) Uani 1 2 d S T P . .
Na3 Na 0.4010(5) 0.7500 0.1994(4) 0.043(2) Uani 1 2 d S T P . .
O1 O 0.9827(6) 0.6604(2) 0.4947(5) 0.037(2) Uani 1 1 d . . . . .
O2 O 0.8534(5) 0.5956(2) 0.4431(4) 0.031(2) Uani 1 1 d . . . . .
O3 O 0.9097(5) 0.6420(2) 0.3377(4) 0.030(2) Uani 1 1 d . . . . .
O4 O 1.0265(5) 0.6578(3) 0.2332(5) 0.042(2) Uani 1 1 d . . . . .
O5 O 0.8903(5) 0.5951(2) 0.2140(4) 0.028(2) Uani 1 1 d . . . . .
O6 O 0.8514(6) 0.6619(2) 0.1240(4) 0.033(2) Uani 1 1 d . . . . .
O7 O 0.7027(6) 0.6588(3) -0.0111(5) 0.050(3) Uani 1 1 d . . . . .
O8 O 0.7350(5) 0.5958(2) 0.0969(4) 0.028(2) Uani 1 1 d . . . . .
O9 O 0.5746(6) 0.6424(2) 0.0841(4) 0.033(2) Uani 1 1 d . . . . .
O10 O 0.3740(6) 0.6602(3) 0.0375(5) 0.039(2) Uani 1 1 d . . . . .
O11 O 0.4469(5) 0.5960(2) 0.1367(4) 0.031(2) Uani 1 1 d . . . . .
O12 O 0.3737(5) 0.6637(2) 0.1927(4) 0.028(2) Uani 1 1 d . . . . .
O13 O 0.3283(6) 0.6618(3) 0.3340(5) 0.045(3) Uani 1 1 d . . . . .
O14 O 0.4223(5) 0.5976(2) 0.2796(4) 0.027(2) Uani 1 1 d . . . . .
O15 O 0.5241(5) 0.6431(2) 0.3942(4) 0.029(2) Uani 1 1 d . . . . .
O16 O 0.6122(6) 0.6569(3) 0.5505(4) 0.039(2) Uani 1 1 d . . . . .
O17 O 0.6744(5) 0.5947(2) 0.4675(4) 0.029(2) Uani 1 1 d . . . . .
O18 O 0.7885(5) 0.6616(2) 0.5037(4) 0.027(2) Uani 1 1 d . . . . .
O19 O 0.8450(5) 0.7075(2) 0.3964(4) 0.030(2) Uani 1 1 d . . . . .
O20 O 0.8745(6) 0.7082(2) 0.2510(4) 0.033(2) Uani 1 1 d . . . . .
O21 O 0.6903(5) 0.7083(2) 0.1110(5) 0.035(2) Uani 1 1 d . . . . .
O22 O 0.5084(6) 0.7081(3) 0.1399(4) 0.035(2) Uani 1 1 d . . . . .
O23 O 0.4811(5) 0.7080(3) 0.3072(4) 0.033(2) Uani 1 1 d . . . . .
O24 O 0.6359(5) 0.7074(2) 0.4310(4) 0.026(2) Uani 1 1 d . . . . .
O25 O 0.7767(5) 0.5660(3) 0.3021(4) 0.033(2) Uani 1 1 d . . . . .
O26 O 0.6262(6) 0.5654(2) 0.1895(4) 0.031(2) Uani 1 1 d . . . . .
O27 O 0.6042(6) 0.5665(2) 0.3272(4) 0.031(2) Uani 1 1 d . . . . .
O28 O 0.7518(6) 0.5220(2) 0.4270(5) 0.035(2) Uani 1 1 d . . . . .
O29 O 0.7919(6) 0.5215(3) 0.1707(5) 0.039(2) Uani 1 1 d . . . . .
O30 O 0.4651(5) 0.5237(2) 0.2195(4) 0.033(2) Uani 1 1 d . . . . .
O31 O 0.7161(5) 0.6409(2) 0.3660(4) 0.024(2) Uani 1 1 d . . . . .
O32 O 0.7425(5) 0.6409(2) 0.2129(4) 0.024(2) Uani 1 1 d . . . . .
O33 O 0.5520(5) 0.6412(2) 0.2400(4) 0.024(2) Uani 1 1 d . . . . .
O34 O 0.7457(18) 0.7500 0.6091(15) 0.199(11) Uiso 1 2 d S . P . .
O35 O 0.9696(14) 0.7500 0.5498(12) 0.140(8) Uiso 1 2 d S . P . .
O36 O 1.0433(9) 0.7500 0.3858(9) 0.067(5) Uani 1 2 d S T P . .
O37 O 1.0209(17) 0.7500 0.1595(14) 0.182(10) Uiso 1 2 d S . P . .
O38 O 0.8198(19) 0.7500 -0.0042(16) 0.209(12) Uiso 1 2 d S . P . .
O39 O 0.5227(16) 0.7500 -0.0175(10) 0.138(8) Uani 1 2 d S T P . .
O40 O 0.2793(16) 0.7500 0.0726(13) 0.163(9) Uiso 1 2 d S . P . .
O41 O 0.2627(13) 0.7500 0.2583(14) 0.143(9) Uani 1 2 d S T P . .
O42 O 0.4323(12) 0.7500 0.4524(10) 0.120(7) Uani 1 2 d S T P . .
O43 O 0.8783(8) 0.6577(4) 0.6565(7) 0.094(4) Uiso 1 1 d . . . . .
O47 O 0.5162(12) 0.3280(5) 0.0983(10) 0.180(7) Uiso 1 1 d . . . . .
O45 O 1.0462(12) 0.5592(6) 0.1611(10) 0.182(7) Uiso 1 1 d . . . . .
O48 O 0.3343(14) 0.3723(6) 0.1588(12) 0.214(9) Uiso 1 1 d . . . . .
O44 O 0.1549(8) 0.6782(4) 0.3756(8) 0.115(5) Uani 1 1 d . . . . .
O46 O 0.9765(11) 0.4847(5) 0.1439(9) 0.161(6) Uiso 1 1 d . . . . .
C1 C 0.5842(18) 0.4265(8) 0.5063(14) 0.033(7) Uiso 0.6 1 d . . P A 1
H1 H 0.5628 0.4050 0.4725 0.039 Uiso 0.6 1 calc R U P A 1
C24 C 0.617(3) 0.4219(12) 0.534(3) 0.069(16) Uiso 0.4 1 d D . P A 2
H24 H 0.6308 0.3939 0.5350 0.082 Uiso 0.4 1 calc R U P A 2
C4 C 0.9088(11) 0.4268(6) 0.5855(10) 0.066(5) Uani 1 1 d . . . . .
H4 H 0.8877 0.3997 0.5856 0.079 Uiso 1 1 calc R U . . .
C2 C 0.682(2) 0.4717(9) 0.5730(18) 0.079(10) Uiso 0.6 1 d . . P A 1
H2 H 0.7402 0.4849 0.5950 0.094 Uiso 0.6 1 calc R U P A 1
C23 C 0.622(3) 0.4858(11) 0.529(2) 0.065(13) Uiso 0.4 1 d D . P A 2
H23 H 0.6468 0.5120 0.5248 0.078 Uiso 0.4 1 calc R U P A 2
C5 C 0.9951(11) 0.4794(6) 0.6187(10) 0.067(5) Uani 1 1 d . . . . .
H5 H 1.0424 0.4977 0.6442 0.080 Uiso 1 1 calc R U . . .
C3 C 0.597(2) 0.4720(9) 0.6013(18) 0.077(10) Uiso 0.6 1 d . . P A 1
H3 H 0.5808 0.4891 0.6381 0.092 Uiso 0.6 1 calc R U P A 1
C22 C 0.540(3) 0.4784(13) 0.556(2) 0.058(12) Uiso 0.4 1 d . . P A 2
H22 H 0.4963 0.4970 0.5685 0.070 Uiso 0.4 1 calc R U P A 2
C6 C 0.9254(11) 0.4870(5) 0.5552(9) 0.057(5) Uani 1 1 d . . . . .
H6 H 0.9173 0.5118 0.5287 0.069 Uiso 1 1 calc R U . . .
C7 C 0.9373(14) 0.4148(6) 0.3973(11) 0.081(6) Uani 1 1 d . . . . .
H7 H 0.9693 0.4067 0.4464 0.098 Uiso 1 1 calc R U . . .
C8 C 0.9058(16) 0.4234(8) 0.2742(12) 0.108(8) Uani 1 1 d . . . . .
H8 H 0.9116 0.4224 0.2238 0.129 Uiso 1 1 calc R U . . .
C9 C 0.8377(12) 0.4403(5) 0.3003(10) 0.065(5) Uani 1 1 d . . . . .
H9 H 0.7841 0.4540 0.2705 0.079 Uiso 1 1 calc R U . . .
C10 C 0.5840(10) 0.4522(4) 0.3163(8) 0.043(4) Uani 1 1 d . . . . .
H10 H 0.5789 0.4802 0.3254 0.051 Uiso 1 1 calc R U . . .
C11 C 0.6349(12) 0.3915(5) 0.3294(8) 0.063(5) Uani 1 1 d . . . . .
H11 H 0.6688 0.3677 0.3481 0.076 Uiso 1 1 calc R U . . .
C12 C 0.5563(12) 0.3943(5) 0.2680(8) 0.065(5) Uani 1 1 d . . . . .
H12 H 0.5310 0.3726 0.2358 0.078 Uiso 1 1 calc R U . . .
C13 C 0.4584(12) 0.4379(4) 0.0354(9) 0.051(4) Uani 1 1 d . . . . .
H13 H 0.3996 0.4251 0.0130 0.061 Uiso 1 1 calc R U . . .
C14 C 0.6065(13) 0.4615(5) 0.0490(11) 0.070(5) Uani 1 1 d . . . . .
H14 H 0.6672 0.4684 0.0404 0.084 Uiso 1 1 calc R U . . .
C16 C 0.2248(17) 0.4519(7) 0.0582(14) 0.117(8) Uani 1 1 d . . . . .
H16 H 0.2241 0.4237 0.0499 0.141 Uiso 1 1 calc R U . . .
C17 C 0.1804(14) 0.5169(6) 0.0411(11) 0.088(6) Uiso 1 1 d . . . . .
H17 H 0.1492 0.5410 0.0206 0.106 Uiso 1 1 calc R U . . .
C18 C 0.2612(12) 0.5122(8) 0.1027(11) 0.097(8) Uani 1 1 d . . . . .
H18 H 0.2900 0.5339 0.1336 0.117 Uiso 1 1 calc R U . . .
C19 C 0.3576(11) 0.4278(5) 0.3320(9) 0.056(4) Uani 1 1 d . . . . .
H19 H 0.4189 0.4158 0.3494 0.067 Uiso 1 1 calc R U . . .
C20 C 0.2061(12) 0.4466(7) 0.3243(11) 0.094(7) Uani 1 1 d . . . . .
H20 H 0.1443 0.4496 0.3340 0.113 Uiso 1 1 calc R U . . .
C21 C 0.2356(13) 0.4596(5) 0.2612(10) 0.075(6) Uani 1 1 d . . . . .
H21 H 0.1983 0.4749 0.2211 0.090 Uiso 1 1 calc R U . . .
C15 C 0.5742(12) 0.4681(5) 0.1160(10) 0.067(5) Uani 1 1 d . . . . .
H15 H 0.6107 0.4804 0.1601 0.081 Uiso 1 1 calc R U . . .
N1 N 0.6646(8) 0.4492(4) 0.5089(6) 0.050(4) Uani 1 1 d . . . . .
N2 N 0.5403(9) 0.4394(4) 0.5591(7) 0.058(4) Uani 1 1 d . . . . .
H2A H 0.4866 0.4297 0.5670 0.070 Uiso 1 1 calc R U . A 1
N3 N 0.8672(8) 0.4523(4) 0.5349(7) 0.046(3) Uani 1 1 d . . . . .
N4 N 0.9832(9) 0.4408(4) 0.6378(7) 0.059(4) Uani 1 1 d . . . . .
H4A H 1.0171 0.4276 0.6765 0.071 Uiso 1 1 calc R U . . .
N5 N 0.8550(8) 0.4352(4) 0.3806(7) 0.044(3) Uani 1 1 d . . . . .
N6 N 0.9679(12) 0.4072(5) 0.3371(14) 0.109(7) Uani 1 1 d . . . . .
H6A H 1.0205 0.3938 0.3364 0.131 Uiso 1 1 calc R U . . .
N7 N 0.6535(8) 0.4299(4) 0.3576(6) 0.041(3) Uani 1 1 d . . . . .
N8 N 0.5205(7) 0.4330(4) 0.2605(6) 0.037(3) Uani 1 1 d . . . . .
N9 N 0.4809(9) 0.4536(3) 0.1066(6) 0.042(3) Uani 1 1 d . . . . .
N10 N 0.5341(11) 0.4437(4) 0.0008(7) 0.064(4) Uani 1 1 d . . . . .
H10A H 0.5342 0.4367 -0.0453 0.077 Uiso 1 1 calc R U . . .
N11 N 0.2919(10) 0.4745(5) 0.1123(8) 0.061(4) Uani 1 1 d . . . . .
N12 N 0.1606(15) 0.4803(7) 0.0202(12) 0.141(8) Uiso 1 1 d . . . . .
H12A H 0.1103 0.4738 -0.0152 0.169 Uiso 1 1 calc R U . . .
N13 N 0.3283(8) 0.4465(4) 0.2670(6) 0.041(3) Uani 1 1 d . . . . .
N14 N 0.2862(11) 0.4282(4) 0.3707(7) 0.071(4) Uani 1 1 d . . . . .
H14A H 0.2900 0.4188 0.4159 0.085 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0030 0.0020 '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'
Cu Cu 0.3200 1.2650 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0360 0.0250 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5870 1.5460 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8720 '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
O33 Sb O31 90.5(3) . .
O33 Sb O32 90.4(3) . .
O31 Sb O32 91.7(3) . .
O1 W1 O19 103.8(4) . .
O1 W1 O3 102.7(4) . .
O19 W1 O3 90.3(3) . .
O1 W1 O18 97.3(3) . .
O19 W1 O18 91.4(3) . .
O3 W1 O18 158.9(3) . .
O1 W1 O2 97.5(3) . .
O19 W1 O2 158.7(3) . .
O3 W1 O2 86.5(3) . .
O18 W1 O2 84.2(3) . .
O1 W1 O31 166.8(3) . .
O19 W1 O31 85.6(3) . .
O3 W1 O31 86.3(3) . .
O18 W1 O31 72.9(3) . .
O2 W1 O31 73.2(3) . .
O1 W1 Na1 93.9(3) . .
O19 W1 Na1 39.4(3) . .
O3 W1 Na1 129.7(3) . .
O18 W1 Na1 54.4(2) . .
O2 W1 Na1 138.2(2) . .
O31 W1 Na1 87.5(2) . .
O4 W2 O20 103.1(4) . .
O4 W2 O6 98.7(4) . .
O20 W2 O6 92.2(3) . .
O4 W2 O3 100.6(4) . .
O20 W2 O3 89.6(3) . .
O6 W2 O3 159.7(3) . .
O4 W2 O5 95.7(4) . .
O20 W2 O5 161.2(3) . .
O6 W2 O5 86.6(3) . .
O3 W2 O5 85.2(3) . .
O4 W2 O32 167.3(3) . .
O20 W2 O32 88.1(3) . .
O6 W2 O32 74.6(3) . .
O3 W2 O32 85.2(3) . .
O5 W2 O32 73.4(3) . .
O4 W2 Na2 96.4(3) . .
O20 W2 Na2 39.7(3) . .
O6 W2 Na2 54.1(3) . .
O3 W2 Na2 129.1(2) . .
O5 W2 Na2 140.1(2) . .
O32 W2 Na2 88.4(2) . .
O7 W3 O21 102.9(4) . .
O7 W3 O9 101.2(4) . .
O21 W3 O9 91.8(3) . .
O7 W3 O8 97.1(4) . .
O21 W3 O8 159.8(3) . .
O9 W3 O8 87.0(3) . .
O7 W3 O6 98.1(4) . .
O21 W3 O6 89.9(3) . .
O9 W3 O6 159.8(3) . .
O8 W3 O6 84.5(3) . .
O7 W3 O32 166.5(4) . .
O21 W3 O32 87.4(3) . .
O9 W3 O32 87.0(3) . .
O8 W3 O32 72.4(3) . .
O6 W3 O32 72.9(3) . .
O7 W3 Na2 95.4(3) . .
O21 W3 Na2 38.2(3) . .
O9 W3 Na2 129.9(3) . .
O8 W3 Na2 137.5(2) . .
O6 W3 Na2 53.5(2) . .
O32 W3 Na2 87.4(2) . .
O10 W4 O22 104.4(4) . .
O10 W4 O9 100.0(3) . .
O22 W4 O9 88.4(3) . .
O10 W4 O12 98.8(3) . .
O22 W4 O12 92.2(3) . .
O9 W4 O12 160.4(3) . .
O10 W4 O11 96.9(4) . .
O22 W4 O11 158.6(3) . .
O9 W4 O11 85.6(3) . .
O12 W4 O11 86.8(3) . .
O10 W4 O33 167.9(3) . .
O22 W4 O33 85.9(3) . .
O9 W4 O33 86.5(3) . .
O12 W4 O33 74.0(3) . .
O11 W4 O33 73.3(3) . .
O10 W4 Na3 96.2(3) . .
O22 W4 Na3 40.8(3) . .
O9 W4 Na3 129.1(3) . .
O12 W4 Na3 53.4(2) . .
O11 W4 Na3 139.6(2) . .
O33 W4 Na3 87.4(2) . .
O13 W5 O23 104.0(4) . .
O13 W5 O15 100.9(4) . .
O23 W5 O15 90.2(3) . .
O13 W5 O12 97.6(4) . .
O23 W5 O12 90.6(3) . .
O15 W5 O12 160.7(3) . .
O13 W5 O14 97.7(4) . .
O23 W5 O14 158.2(3) . .
O15 W5 O14 87.3(3) . .
O12 W5 O14 84.9(3) . .
O13 W5 O33 167.6(3) . .
O23 W5 O33 85.3(3) . .
O15 W5 O33 87.1(3) . .
O12 W5 O33 73.8(3) . .
O14 W5 O33 73.0(3) . .
O13 W5 Na3 94.7(3) . .
O23 W5 Na3 39.4(3) . .
O15 W5 Na3 129.6(2) . .
O12 W5 Na3 53.4(2) . .
O14 W5 Na3 137.7(2) . .
O33 W5 Na3 87.2(2) . .
O16 W6 O24 104.6(4) . .
O16 W6 O15 100.8(4) . .
O24 W6 O15 88.4(3) . .
O16 W6 O18 99.1(3) . .
O24 W6 O18 91.8(3) . .
O15 W6 O18 159.4(3) . .
O16 W6 O17 95.6(4) . .
O24 W6 O17 159.7(3) . .
O15 W6 O17 86.9(3) . .
O18 W6 O17 85.8(3) . .
O16 W6 O31 166.6(3) . .
O24 W6 O31 87.3(3) . .
O15 W6 O31 85.5(3) . .
O18 W6 O31 74.0(3) . .
O17 W6 O31 72.7(3) . .
O16 W6 Na1 97.8(3) . .
O24 W6 Na1 39.5(2) . .
O15 W6 Na1 127.7(3) . .
O18 W6 Na1 54.0(2) . .
O17 W6 Na1 139.1(2) . .
O31 W6 Na1 87.5(2) . .
O28 W7 O25 101.0(4) . .
O28 W7 O2 101.6(4) . .
O25 W7 O2 91.6(3) . .
O28 W7 O17 100.6(4) . .
O25 W7 O17 157.8(3) . .
O2 W7 O17 89.0(3) . .
O28 W7 O27 100.7(3) . .
O25 W7 O27 84.2(3) . .
O2 W7 O27 157.7(3) . .
O17 W7 O27 86.8(3) . .
O28 W7 O31 171.7(3) . .
O25 W7 O31 86.3(3) . .
O2 W7 O31 73.9(3) . .
O17 W7 O31 72.6(3) . .
O27 W7 O31 83.9(3) . .
O29 W8 O8 102.0(4) . .
O29 W8 O26 102.1(4) . .
O8 W8 O26 91.1(3) . .
O29 W8 O5 99.8(4) . .
O8 W8 O5 89.1(3) . .
O26 W8 O5 157.6(3) . .
O29 W8 O25 101.1(4) . .
O8 W8 O25 156.9(3) . .
O26 W8 O25 83.6(3) . .
O5 W8 O25 87.5(3) . .
O29 W8 O32 170.6(3) . .
O8 W8 O32 72.8(3) . .
O26 W8 O32 86.0(3) . .
O5 W8 O32 72.6(3) . .
O25 W8 O32 84.3(3) . .
O30 W9 O27 101.5(3) . .
O30 W9 O14 99.4(3) . .
O27 W9 O14 90.6(3) . .
O30 W9 O26 101.3(4) . .
O27 W9 O26 85.1(3) . .
O14 W9 O26 159.2(3) . .
O30 W9 O11 99.2(3) . .
O27 W9 O11 159.2(3) . .
O14 W9 O11 88.6(3) . .
O26 W9 O11 88.4(3) . .
O30 W9 O33 169.4(3) . .
O27 W9 O33 86.4(3) . .
O14 W9 O33 73.2(3) . .
O26 W9 O33 86.3(3) . .
O11 W9 O33 73.5(3) . .
O20 Cu1 O20 88.7(5) . 4_575
O20 Cu1 O19 89.4(3) . .
O20 Cu1 O19 168.1(3) 4_575 .
O20 Cu1 O19 168.1(3) . 4_575
O20 Cu1 O19 89.4(3) 4_575 4_575
O19 Cu1 O19 90.1(5) . 4_575
O20 Cu1 O36 98.3(4) . .
O20 Cu1 O36 98.3(4) 4_575 .
O19 Cu1 O36 93.6(3) . .
O19 Cu1 O36 93.6(3) 4_575 .
O20 Cu1 Na1 131.5(2) . .
O20 Cu1 Na1 131.5(2) 4_575 .
O19 Cu1 Na1 45.3(2) . .
O19 Cu1 Na1 45.3(2) 4_575 .
O36 Cu1 Na1 100.5(4) . .
O20 Cu1 Na2 45.0(2) . .
O20 Cu1 Na2 45.0(2) 4_575 .
O19 Cu1 Na2 129.7(2) . .
O19 Cu1 Na2 129.7(2) 4_575 .
O36 Cu1 Na2 110.1(4) . .
Na1 Cu1 Na2 149.43(18) . .
O22 Cu2 O22 90.1(5) 4_575 .
O22 Cu2 O21 89.6(3) 4_575 4_575
O22 Cu2 O21 169.1(3) . 4_575
O22 Cu2 O21 169.1(3) 4_575 .
O22 Cu2 O21 89.6(3) . .
O21 Cu2 O21 88.7(5) 4_575 .
O22 Cu2 O39 95.6(4) 4_575 .
O22 Cu2 O39 95.6(4) . .
O21 Cu2 O39 95.3(5) 4_575 .
O21 Cu2 O39 95.3(5) . .
O22 Cu2 Na2 130.2(2) 4_575 .
O22 Cu2 Na2 130.2(2) . .
O21 Cu2 Na2 45.0(2) 4_575 .
O21 Cu2 Na2 45.0(2) . .
O39 Cu2 Na2 106.2(6) . .
O22 Cu2 Na3 45.5(2) 4_575 .
O22 Cu2 Na3 45.5(2) . .
O21 Cu2 Na3 131.3(2) 4_575 .
O21 Cu2 Na3 131.3(2) . .
O39 Cu2 Na3 105.2(6) . .
Na2 Cu2 Na3 148.58(19) . .
O24 Cu3 O24 90.6(4) 4_575 .
O24 Cu3 O23 88.7(3) 4_575 4_575
O24 Cu3 O23 166.1(3) . 4_575
O24 Cu3 O23 166.1(3) 4_575 .
O24 Cu3 O23 88.7(3) . .
O23 Cu3 O23 88.7(5) 4_575 .
O24 Cu3 O42 99.4(4) 4_575 .
O24 Cu3 O42 99.4(4) . .
O23 Cu3 O42 94.4(4) 4_575 .
O23 Cu3 O42 94.4(4) . .
O24 Cu3 Na1 46.0(2) 4_575 .
O24 Cu3 Na1 46.0(2) . .
O23 Cu3 Na1 129.0(2) 4_575 .
O23 Cu3 Na1 129.0(2) . .
O42 Cu3 Na1 112.3(5) . .
O24 Cu3 Na3 129.8(2) 4_575 .
O24 Cu3 Na3 129.8(2) . .
O23 Cu3 Na3 44.5(2) 4_575 .
O23 Cu3 Na3 44.5(2) . .
O42 Cu3 Na3 100.9(5) . .
Na1 Cu3 Na3 146.82(19) . .
N3 Cu4 N1 90.5(5) . .
N3 Cu4 N7 172.2(5) . .
N1 Cu4 N7 89.5(5) . .
N3 Cu4 N5 90.4(5) . .
N1 Cu4 N5 174.6(5) . .
N7 Cu4 N5 88.9(5) . .
N8 Cu5 N11 178.4(6) . .
N8 Cu5 N9 90.0(5) . .
N11 Cu5 N9 89.5(5) . .
N8 Cu5 N13 88.2(4) . .
N11 Cu5 N13 92.0(5) . .
N9 Cu5 N13 171.6(5) . .
N8 Cu5 O30 89.5(4) . .
N11 Cu5 O30 92.1(5) . .
N9 Cu5 O30 89.0(4) . .
N13 Cu5 O30 99.2(4) . .
O34 Na1 O19 143.0(3) . .
O34 Na1 O19 143.0(3) . 4_575
O19 Na1 O19 68.8(4) . 4_575
O34 Na1 O24 92.5(6) . .
O19 Na1 O24 79.5(3) . .
O19 Na1 O24 116.9(4) 4_575 .
O34 Na1 O24 92.5(6) . 4_575
O19 Na1 O24 116.9(4) . 4_575
O19 Na1 O24 79.5(3) 4_575 4_575
O24 Na1 O24 68.4(4) . 4_575
O34 Na1 O35 89.8(8) . .
O19 Na1 O35 78.3(4) . .
O19 Na1 O35 78.3(4) 4_575 .
O24 Na1 O35 145.72(19) . .
O24 Na1 O35 145.72(19) 4_575 .
O34 Na1 O18 84.6(2) . .
O19 Na1 O18 60.1(2) . .
O19 Na1 O18 128.6(3) 4_575 .
O24 Na1 O18 59.6(2) . .
O24 Na1 O18 127.6(3) 4_575 .
O35 Na1 O18 86.64(19) . .
O34 Na1 O18 84.6(2) . 4_575
O19 Na1 O18 128.6(3) . 4_575
O19 Na1 O18 60.1(2) 4_575 4_575
O24 Na1 O18 127.6(3) . 4_575
O24 Na1 O18 59.6(2) 4_575 4_575
O35 Na1 O18 86.6(2) . 4_575
O18 Na1 O18 167.3(4) . 4_575
O34 Na1 Cu3 98.9(7) . .
O19 Na1 Cu3 94.6(3) . .
O19 Na1 Cu3 94.6(3) 4_575 .
O24 Na1 Cu3 34.62(19) . .
O24 Na1 Cu3 34.62(19) 4_575 .
O35 Na1 Cu3 171.3(5) . .
O18 Na1 Cu3 94.14(19) . .
O18 Na1 Cu3 94.14(19) 4_575 .
O34 Na1 Cu1 169.2(7) . .
O19 Na1 Cu1 34.6(2) . .
O19 Na1 Cu1 34.6(2) 4_575 .
O24 Na1 Cu1 96.4(3) . .
O24 Na1 Cu1 96.4(3) 4_575 .
O35 Na1 Cu1 79.4(5) . .
O18 Na1 Cu1 94.7(2) . .
O18 Na1 Cu1 94.7(2) 4_575 .
Cu3 Na1 Cu1 91.83(18) . .
O34 Na1 W1 115.3(2) . 4_575
O19 Na1 W1 95.1(3) . 4_575
O19 Na1 W1 27.76(19) 4_575 4_575
O24 Na1 W1 133.7(3) . 4_575
O24 Na1 W1 73.96(18) 4_575 4_575
O35 Na1 W1 74.2(2) . 4_575
O18 Na1 W1 151.7(3) . 4_575
O18 Na1 W1 33.69(15) 4_575 4_575
Cu3 Na1 W1 101.78(13) . 4_575
Cu1 Na1 W1 61.88(10) . 4_575
O34 Na1 W1 115.3(2) . .
O19 Na1 W1 27.76(19) . .
O19 Na1 W1 95.1(3) 4_575 .
O24 Na1 W1 73.96(18) . .
O24 Na1 W1 133.7(3) 4_575 .
O35 Na1 W1 74.2(2) . .
O18 Na1 W1 33.69(15) . .
O18 Na1 W1 151.7(3) 4_575 .
Cu3 Na1 W1 101.78(13) . .
Cu1 Na1 W1 61.88(10) . .
W1 Na1 W1 118.95(19) 4_575 .
O21 Na2 O21 67.7(4) 4_575 .
O21 Na2 O38 86.6(6) 4_575 .
O21 Na2 O38 86.6(6) . .
O21 Na2 O20 117.2(4) 4_575 .
O21 Na2 O20 80.7(3) . .
O38 Na2 O20 145.4(3) . .
O21 Na2 O20 80.7(3) 4_575 4_575
O21 Na2 O20 117.2(4) . 4_575
O38 Na2 O20 145.4(3) . 4_575
O20 Na2 O20 67.4(4) . 4_575
O21 Na2 O37 146.1(2) 4_575 .
O21 Na2 O37 146.1(2) . .
O38 Na2 O37 92.5(9) . .
O20 Na2 O37 81.1(5) . .
O20 Na2 O37 81.1(5) 4_575 .
O21 Na2 O6 60.0(2) 4_575 4_575
O21 Na2 O6 127.5(3) . 4_575
O38 Na2 O6 85.8(2) . 4_575
O20 Na2 O6 127.2(3) . 4_575
O20 Na2 O6 60.0(2) 4_575 4_575
O37 Na2 O6 86.1(2) . 4_575
O21 Na2 O6 127.5(3) 4_575 .
O21 Na2 O6 60.0(2) . .
O38 Na2 O6 85.8(2) . .
O20 Na2 O6 60.0(2) . .
O20 Na2 O6 127.2(3) 4_575 .
O37 Na2 O6 86.1(2) . .
O6 Na2 O6 168.3(4) 4_575 .
O21 Na2 Cu2 34.3(2) 4_575 .
O21 Na2 Cu2 34.3(2) . .
O38 Na2 Cu2 91.9(7) . .
O20 Na2 Cu2 95.3(3) . .
O20 Na2 Cu2 95.3(3) 4_575 .
O37 Na2 Cu2 175.6(6) . .
O6 Na2 Cu2 94.2(2) 4_575 .
O6 Na2 Cu2 94.2(2) . .
O21 Na2 Cu1 95.5(3) 4_575 .
O21 Na2 Cu1 95.5(3) . .
O38 Na2 Cu1 177.6(7) . .
O20 Na2 Cu1 34.1(2) . .
O20 Na2 Cu1 34.1(2) 4_575 .
O37 Na2 Cu1 85.0(6) . .
O6 Na2 Cu1 94.0(2) 4_575 .
O6 Na2 Cu1 94.0(2) . .
Cu2 Na2 Cu1 90.55(18) . .
O21 Na2 W2 73.5(2) 4_575 4_575
O21 Na2 W2 132.8(3) . 4_575
O38 Na2 W2 117.27(18) . 4_575
O20 Na2 W2 94.5(3) . 4_575
O20 Na2 W2 28.17(18) 4_575 4_575
O37 Na2 W2 77.0(3) . 4_575
O6 Na2 W2 32.75(16) 4_575 4_575
O6 Na2 W2 151.6(3) . 4_575
Cu2 Na2 W2 100.98(13) . 4_575
Cu1 Na2 W2 62.19(10) . 4_575
O21 Na2 W2 132.8(3) 4_575 .
O21 Na2 W2 73.5(2) . .
O38 Na2 W2 117.27(18) . .
O20 Na2 W2 28.17(18) . .
O20 Na2 W2 94.5(3) 4_575 .
O37 Na2 W2 77.0(3) . .
O6 Na2 W2 151.6(3) 4_575 .
O6 Na2 W2 32.75(16) . .
Cu2 Na2 W2 100.98(13) . .
Cu1 Na2 W2 62.19(10) . .
W2 Na2 W2 119.7(2) 4_575 .
O41 Na3 O23 85.4(5) . .
O41 Na3 O23 85.4(5) . 4_575
O23 Na3 O23 68.6(4) . 4_575
O41 Na3 O22 145.9(2) . 4_575
O23 Na3 O22 116.3(4) . 4_575
O23 Na3 O22 79.5(3) 4_575 4_575
O41 Na3 O22 145.9(2) . .
O23 Na3 O22 79.5(3) . .
O23 Na3 O22 116.3(4) 4_575 .
O22 Na3 O22 67.5(4) 4_575 .
O41 Na3 O40 87.2(8) . .
O23 Na3 O40 144.8(2) . .
O23 Na3 O40 144.8(2) 4_575 .
O22 Na3 O40 87.8(5) 4_575 .
O22 Na3 O40 87.8(5) . .
O41 Na3 O12 84.5(2) . 4_575
O23 Na3 O12 128.7(3) . 4_575
O23 Na3 O12 60.6(2) 4_575 4_575
O22 Na3 O12 61.5(2) 4_575 4_575
O22 Na3 O12 128.5(3) . 4_575
O40 Na3 O12 84.5(2) . 4_575
O41 Na3 O12 84.5(2) . .
O23 Na3 O12 60.5(2) . .
O23 Na3 O12 128.7(3) 4_575 .
O22 Na3 O12 128.5(3) 4_575 .
O22 Na3 O12 61.5(2) . .
O40 Na3 O12 84.5(2) . .
O12 Na3 O12 164.8(4) 4_575 .
O41 Na3 Cu2 179.5(6) . .
O23 Na3 Cu2 95.0(3) . .
O23 Na3 Cu2 95.0(3) 4_575 .
O22 Na3 Cu2 34.0(2) 4_575 .
O22 Na3 Cu2 34.0(2) . .
O40 Na3 Cu2 92.3(6) . .
O12 Na3 Cu2 95.5(2) 4_575 .
O12 Na3 Cu2 95.5(2) . .
O41 Na3 Cu3 87.7(6) . .
O23 Na3 Cu3 34.4(2) . .
O23 Na3 Cu3 34.4(2) 4_575 .
O22 Na3 Cu3 96.4(3) 4_575 .
O22 Na3 Cu3 96.4(3) . .
O40 Na3 Cu3 175.0(6) . .
O12 Na3 Cu3 95.0(2) 4_575 .
O12 Na3 Cu3 95.0(2) . .
Cu2 Na3 Cu3 92.79(18) . .
O41 Na3 W4 117.33(17) . 4_575
O23 Na3 W4 134.0(3) . 4_575
O23 Na3 W4 73.8(2) 4_575 4_575
O22 Na3 W4 28.85(19) 4_575 4_575
O22 Na3 W4 94.8(3) . 4_575
O40 Na3 W4 79.3(3) . 4_575
O12 Na3 W4 33.81(16) 4_575 4_575
O12 Na3 W4 151.8(3) . 4_575
Cu2 Na3 W4 62.56(11) . 4_575
Cu3 Na3 W4 103.03(13) . 4_575
O41 Na3 W4 117.33(17) . .
O23 Na3 W4 73.8(2) . .
O23 Na3 W4 134.0(3) 4_575 .
O22 Na3 W4 94.8(3) 4_575 .
O22 Na3 W4 28.84(19) . .
O40 Na3 W4 79.3(3) . .
O12 Na3 W4 151.8(3) 4_575 .
O12 Na3 W4 33.81(16) . .
Cu2 Na3 W4 62.56(11) . .
Cu3 Na3 W4 103.03(13) . .
W4 Na3 W4 119.5(2) 4_575 .
W7 O2 W1 119.7(4) . .
W1 O3 W2 147.5(4) . .
W8 O5 W2 119.5(4) . .
W2 O6 W3 117.3(4) . .
W2 O6 Na2 93.2(3) . .
W3 O6 Na2 92.7(3) . .
W8 O8 W3 121.5(4) . .
W3 O9 W4 146.0(5) . .
W9 O11 W4 118.6(4) . .
W4 O12 W5 117.1(4) . .
W4 O12 Na3 92.8(3) . .
W5 O12 Na3 92.8(3) . .
W9 O14 W5 119.9(4) . .
W5 O15 W6 147.6(4) . .
W7 O17 W6 119.8(4) . .
W6 O18 W1 117.6(3) . .
W6 O18 Na1 93.0(3) . .
W1 O18 Na1 91.9(3) . .
W1 O19 Cu1 144.5(4) . .
W1 O19 Na1 112.8(4) . .
Cu1 O19 Na1 100.1(3) . .
W2 O20 Cu1 146.4(5) . .
W2 O20 Na2 112.1(4) . .
Cu1 O20 Na2 100.9(3) . .
W3 O21 Cu2 144.1(4) . .
W3 O21 Na2 114.5(4) . .
Cu2 O21 Na2 100.7(3) . .
W4 O22 Cu2 147.3(5) . .
W4 O22 Na3 110.3(4) . .
Cu2 O22 Na3 100.5(4) . .
W5 O23 Cu3 143.3(5) . .
W5 O23 Na3 112.5(4) . .
Cu3 O23 Na3 101.0(4) . .
W6 O24 Cu3 146.8(4) . .
W6 O24 Na1 113.0(3) . .
Cu3 O24 Na1 99.4(3) . .
W7 O25 W8 154.9(4) . .
W9 O26 W8 153.1(4) . .
W9 O27 W7 152.4(4) . .
W9 O30 Cu5 171.8(4) . .
Sb O31 W6 115.4(3) . .
Sb O31 W1 112.4(3) . .
W6 O31 W1 95.2(3) . .
Sb O31 W7 137.1(4) . .
W6 O31 W7 94.9(3) . .
W1 O31 W7 93.0(3) . .
Sb O32 W2 114.0(3) . .
Sb O32 W3 114.1(3) . .
W2 O32 W3 94.9(3) . .
Sb O32 W8 137.3(4) . .
W2 O32 W8 94.5(3) . .
W3 O32 W8 93.2(3) . .
Sb O33 W4 114.5(3) . .
Sb O33 W5 112.9(3) . .
W4 O33 W5 94.9(3) . .
Sb O33 W9 137.2(4) . .
W4 O33 W9 94.6(3) . .
W5 O33 W9 93.8(3) . .
N2 C1 N1 109(2) . .
N1 C24 N2 110(3) . .
N3 C4 N4 116.3(17) . .
N1 C2 C3 109(3) . .
C22 C23 N1 112(3) . .
N4 C5 C6 106.5(14) . .
C2 C3 N2 102(3) . .
N2 C22 C23 102(3) . .
C5 C6 N3 110.0(14) . .
N6 C7 N5 110.9(18) . .
C9 C8 N6 104.4(18) . .
C8 C9 N5 110.9(16) . .
N7 C10 N8 116.8(13) . .
N7 C11 C12 106.8(14) . .
N8 C12 C11 110.8(13) . .
N9 C13 N10 110.3(13) . .
N10 C14 C15 106.3(15) . .
N12 C16 N11 105(2) . .
N12 C17 C18 102(2) . .
N11 C18 C17 113(2) . .
N13 C19 N14 110.0(14) . .
C21 C20 N14 106.1(15) . .
N13 C21 C20 108.1(14) . .
N9 C15 C14 109.6(15) . .
C2 N1 C1 108.2(19) . .
C24 N1 C23 102(2) . .
C24 N1 Cu4 131(2) . .
C2 N1 Cu4 122.1(15) . .
C1 N1 Cu4 128.8(13) . .
C23 N1 Cu4 126.5(18) . .
C22 N2 C24 113(3) . .
C1 N2 C3 108.9(19) . .
C4 N3 C6 101.4(13) . .
C4 N3 Cu4 130.8(12) . .
C6 N3 Cu4 127.5(10) . .
C4 N4 C5 105.7(15) . .
C7 N5 C9 103.1(14) . .
C7 N5 Cu4 128.8(13) . .
C9 N5 Cu4 126.5(11) . .
C7 N6 C8 110.6(17) . .
C10 N7 C11 104.3(12) . .
C10 N7 Cu4 130.3(11) . .
C11 N7 Cu4 125.3(10) . .
C10 N8 C12 101.1(11) . .
C10 N8 Cu5 130.0(10) . .
C12 N8 Cu5 128.9(10) . .
C13 N9 C15 104.6(13) . .
C13 N9 Cu5 131.1(11) . .
C15 N9 Cu5 124.2(10) . .
C14 N10 C13 109.1(14) . .
C18 N11 C16 104.7(18) . .
C18 N11 Cu5 126.9(14) . .
C16 N11 Cu5 128.4(16) . .
C17 N12 C16 115(2) . .
C19 N13 C21 108.5(12) . .
C19 N13 Cu5 126.2(10) . .
C21 N13 Cu5 125.4(10) . .
C19 N14 C20 107.1(14) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sb O33 1.991(7) .
Sb O31 1.996(7) .
Sb O32 1.997(7) .
W1 O1 1.713(8) .
W1 O19 1.797(8) .
W1 O3 1.914(8) .
W1 O18 1.973(7) .
W1 O2 1.999(8) .
W1 O31 2.284(7) .
W1 Na1 3.555(3) .
W2 O4 1.724(8) .
W2 O20 1.811(8) .
W2 O6 1.925(8) .
W2 O3 1.930(8) .
W2 O5 1.995(8) .
W2 O32 2.260(7) .
W2 Na2 3.554(4) .
W3 O7 1.727(9) .
W3 O21 1.804(8) .
W3 O9 1.907(8) .
W3 O8 1.989(8) .
W3 O6 1.992(8) .
W3 O32 2.281(7) .
W3 Na2 3.581(4) .
W4 O10 1.715(8) .
W4 O22 1.813(8) .
W4 O9 1.946(8) .
W4 O12 1.963(8) .
W4 O11 1.996(8) .
W4 O33 2.267(7) .
W4 Na3 3.523(4) .
W5 O13 1.702(8) .
W5 O23 1.793(8) .
W5 O15 1.898(8) .
W5 O12 1.963(8) .
W5 O14 1.967(8) .
W5 O33 2.279(7) .
W5 Na3 3.524(4) .
W6 O16 1.729(7) .
W6 O24 1.794(7) .
W6 O15 1.942(7) .
W6 O18 1.946(7) .
W6 O17 2.009(8) .
W6 O31 2.258(7) .
W6 Na1 3.571(3) .
W7 O28 1.691(8) .
W7 O25 1.877(8) .
W7 O2 1.879(8) .
W7 O17 1.906(8) .
W7 O27 1.950(8) .
W7 O31 2.340(7) .
W8 O29 1.712(8) .
W8 O8 1.866(8) .
W8 O26 1.910(8) .
W8 O5 1.922(8) .
W8 O25 1.940(8) .
W8 O32 2.349(7) .
W9 O30 1.705(8) .
W9 O27 1.886(8) .
W9 O14 1.908(7) .
W9 O26 1.909(7) .
W9 O11 1.921(8) .
W9 O33 2.316(7) .
Cu1 O20 1.946(8) .
Cu1 O20 1.946(8) 4_575
Cu1 O19 1.954(8) .
Cu1 O19 1.954(8) 4_575
Cu1 O36 2.359(13) .
Cu1 Na1 3.389(7) .
Cu1 Na2 3.406(7) .
Cu2 O22 1.927(8) 4_575
Cu2 O22 1.927(8) .
Cu2 O21 1.939(8) 4_575
Cu2 O21 1.939(8) .
Cu2 O39 2.363(18) .
Cu2 Na2 3.380(7) .
Cu2 Na3 3.386(7) .
Cu3 O24 1.948(7) 4_575
Cu3 O24 1.948(7) .
Cu3 O23 1.954(8) 4_575
Cu3 O23 1.954(8) .
Cu3 O42 2.340(16) .
Cu3 Na1 3.383(7) .
Cu3 Na3 3.392(7) .
Cu4 N3 1.951(12) .
Cu4 N1 1.959(11) .
Cu4 N7 1.965(11) .
Cu4 N5 1.992(11) .
Cu5 N8 1.952(11) .
Cu5 N11 1.954(15) .
Cu5 N9 1.972(11) .
Cu5 N13 2.020(11) .
Cu5 O30 2.421(8) .
Na1 O34 2.38(3) .
Na1 O19 2.448(9) .
Na1 O19 2.448(9) 4_575
Na1 O24 2.465(9) .
Na1 O24 2.465(9) 4_575
Na1 O35 2.64(2) .
Na1 O18 2.893(8) .
Na1 O18 2.893(8) 4_575
Na1 W1 3.555(3) 4_575
Na2 O21 2.434(9) 4_575
Na2 O21 2.434(9) .
Na2 O38 2.45(3) .
Na2 O20 2.451(10) .
Na2 O20 2.451(10) 4_575
Na2 O37 2.50(2) .
Na2 O6 2.882(8) 4_575
Na2 O6 2.882(8) .
Na2 W2 3.554(4) 4_575
Na3 O41 2.42(2) .
Na3 O23 2.424(10) .
Na3 O23 2.424(10) 4_575
Na3 O22 2.456(10) 4_575
Na3 O22 2.456(10) .
Na3 O40 2.51(2) .
Na3 O12 2.832(7) 4_575
Na3 O12 2.832(7) .
Na3 W4 3.523(4) 4_575
C1 N2 1.32(3) .
C1 N1 1.34(2) .
C24 N1 1.26(4) .
C24 N2 1.38(5) .
C4 N3 1.270(18) .
C4 N4 1.315(16) .
C2 N1 1.34(3) .
C2 C3 1.41(4) .
C23 C22 1.36(5) .
C23 N1 1.42(4) .
C5 N4 1.323(17) .
C5 C6 1.343(18) .
C3 N2 1.43(3) .
C22 N2 1.27(4) .
C6 N3 1.392(17) .
C7 N6 1.28(2) .
C7 N5 1.306(18) .
C8 C9 1.28(2) .
C8 N6 1.36(2) .
C9 N5 1.417(18) .
C10 N7 1.301(15) .
C10 N8 1.332(15) .
C11 N7 1.352(17) .
C11 C12 1.372(18) .
C12 N8 1.351(17) .
C13 N9 1.347(16) .
C13 N10 1.364(17) .
C14 N10 1.308(17) .
C14 C15 1.40(2) .
C16 N12 1.36(2) .
C16 N11 1.40(2) .
C17 N12 1.26(2) .
C17 C18 1.40(2) .
C18 N11 1.30(2) .
C19 N13 1.298(16) .
C19 N14 1.348(16) .
C20 C21 1.36(2) .
C20 N14 1.372(18) .
C21 N13 1.352(17) .
C15 N9 1.366(17) .
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 -0.049 0.250 0.161 1096 519 ' '
2 0.026 0.750 0.839 1096 533 ' '
