#------------------------------------------------------------------------------
#$Date: 2023-11-23 11:33:10 +0200 (Thu, 23 Nov 2023) $
#$Revision: 287753 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/74/7047482.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_7047482
loop_
_publ_author_name
'Li, Hai-Lou'
'Wang, Yue-Lin'
'Zhang, Zhong'
'Yang, Bai-Feng'
'Yang, Guo-Yu'
_publ_section_title
;
 A new tetra-Zr(iv)-substituted polyoxotungstate aggregate.
;
_journal_issue                   39
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14017
_journal_page_last               14024
_journal_paper_doi               10.1039/c8dt03317j
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety
'C4 H16 N2 Na6 O137 P6 Sb2 W28 Zr4, 9(O), 4(C2 H8 N)'
_chemical_formula_sum            'C12 H160 N6 Na6 O172 P6 Sb2 W28 Zr4'
_chemical_formula_weight         9221.40
_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
_atom_sites_solution_primary     dual
_audit_creation_date             2018-09-01
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2018-09-05 deposited with the CCDC.
2018-09-06 downloaded from the CCDC.
;
_cell_angle_alpha                94.068(2)
_cell_angle_beta                 103.151(2)
_cell_angle_gamma                102.989(2)
_cell_formula_units_Z            1
_cell_length_a                   14.1747(4)
_cell_length_b                   17.7610(5)
_cell_length_c                   19.7781(6)
_cell_measurement_reflns_used    5315
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.2180
_cell_measurement_theta_min      3.8200
_cell_volume                     4685.4(2)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL-2018/1 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0560
_diffrn_reflns_av_unetI/netI     0.0748
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            44894
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.098
_diffrn_reflns_theta_max         25.098
_diffrn_reflns_theta_min         2.915
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    17.779
_exptl_absorpt_correction_T_max  0.1421
_exptl_absorpt_correction_T_min  0.0951
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    3.268
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needlelike
_exptl_crystal_F_000             4140
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.18
_refine_diff_density_max         2.573
_refine_diff_density_min         -2.751
_refine_diff_density_rms         0.319
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     897
_refine_ls_number_reflns         16601
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0744
_refine_ls_R_factor_gt           0.0456
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0581P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1096
_refine_ls_wR_factor_ref         0.1235
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12002
_reflns_number_total             16601
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8dt03317j2.cif
_cod_data_source_block           q
_cod_depositor_comments
;
Adding full bibliography for 7047482.cif.

2023-11-21
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C6 H80 N3 Na3 O86 P3 Sb W14 Zr2'
_cod_original_formula_weight         4610.70
_cod_original_formula_moiety
'C2 H8 N Na3 O68.5 P3 Sb W14 Zr2, 4.5(O), 2(C2 H8 N)'
_cod_original_formula_units_Z            2
_cod_database_code               7047482
_shelx_shelxl_version_number     2018/1
_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_max   0.142
_shelx_estimated_absorpt_t_min   0.095
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All N(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C1-N1 = N1-C2 = N3-C5 = N3-C6
 1.48 with sigma of 0.01
 C3-N2 = N2-C4
 1.48 with sigma of 0.01
3. Others
 Fixed Sof: Na3(0.6) Na4(0.4) O1W(0.5) O2W(0.5) O6W(0.5) O8W(0.5) O10W(0.5)
 O11W(0.5) O12W(0.5) O15W(0.5)
 Fixed Uiso: N2(0.08567) C5(0.0862) C6(0.08739) N3(0.08645)
4.a Secondary CH2 refined with riding coordinates:
 N1(H1A,H1B), N2(H2D,H2E), N3(H3A,H3B)
4.b Me refined with riding coordinates:
 C1(H1C,H1D,H1E), C2(H2A,H2B,H2C), C3(H3C,H3D,H3E), C4(H4A,H4B,H4C), C5(H5A,
 H5B,H5C), C6(H6A,H6B,H6C)
;
_olex2_submission_special_instructions 'No special instructions were received'
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_occupancy
Sb1 Sb 0.26412(9) 1.08087(7) 0.37474(7) 0.0435(3) Uani 1 1 d . .
W1 W 0.39208(6) 1.14593(4) 0.92380(4) 0.03640(18) Uani 1 1 d . .
W2 W 0.62010(6) 1.26727(4) 0.93489(3) 0.03721(18) Uani 1 1 d . .
W3 W 0.26354(5) 1.26546(4) 0.80825(4) 0.03487(18) Uani 1 1 d . .
W4 W 0.49067(6) 1.39087(4) 0.82445(3) 0.03395(17) Uani 1 1 d . .
W5 W 0.34411(5) 1.31135(3) 0.66090(3) 0.02536(15) Uani 1 1 d . .
W6 W 0.69162(5) 1.31717(3) 0.76962(3) 0.02770(15) Uani 1 1 d . .
W7 W 0.57443(5) 1.07235(4) 0.87433(3) 0.02851(16) Uani 1 1 d . .
W8 W 0.22904(5) 1.05370(4) 0.74876(4) 0.02969(16) Uani 1 1 d . .
W9 W 0.30202(4) 1.10192(3) 0.60311(3) 0.02245(14) Uani 1 1 d . .
W10 W 0.39986(4) 1.17189(3) 0.26629(3) 0.02397(15) Uani 1 1 d . .
W11 W 0.66803(4) 1.25937(3) 0.31463(3) 0.02326(15) Uani 1 1 d . .
W12 W 0.65125(4) 1.12534(3) 0.71449(3) 0.02183(14) Uani 1 1 d . .
W13 W 0.37815(4) 1.27666(3) 0.41292(3) 0.02087(14) Uani 1 1 d . .
W14 W 0.64730(4) 1.36239(3) 0.45740(3) 0.02015(14) Uani 1 1 d . .
Zr1 Zr 0.41656(10) 0.96067(8) 0.69935(8) 0.0223(3) Uani 1 1 d . .
Zr2 Zr 0.54193(10) 1.24500(7) 0.58800(7) 0.0191(3) Uani 1 1 d . .
P1 P 0.8669(3) 1.3301(3) 0.4478(2) 0.0355(10) Uani 1 1 d . .
P2 P 0.5485(3) 1.1641(2) 0.42734(19) 0.0176(8) Uani 1 1 d . .
P3 P 0.4590(3) 1.1912(2) 0.76661(19) 0.0201(8) Uani 1 1 d . .
Na1 Na 0.7742(5) 1.5930(4) 0.5075(4) 0.0391(16) Uani 1 1 d . .
Na2 Na 0.2567(6) 1.0771(5) 1.0783(4) 0.058(2) Uani 1 1 d . .
Na3 Na 0.5080(9) 0.9566(7) 0.4387(7) 0.050(3) Uani 0.6 1 d . P
Na4 Na 0.0525(11) 0.7265(10) 0.3852(9) 0.040(4) Uani 0.4 1 d . P
O1 O 0.9321(10) 1.2890(9) 0.4949(6) 0.063(4) Uani 1 1 d . .
O2 O 0.9232(9) 1.4015(8) 0.4276(7) 0.061(4) Uani 1 1 d . .
O3 O 0.3787(7) 1.1204(5) 0.7243(5) 0.025(2) Uani 1 1 d . .
O4 O 0.4923(8) 1.1753(6) 0.8422(5) 0.028(2) Uani 1 1 d . .
O5 O 0.4127(8) 1.2616(5) 0.7672(5) 0.027(2) Uani 1 1 d . .
O6 O 0.1967(7) 1.0690(6) 0.6542(6) 0.029(2) Uani 1 1 d . .
O7 O 0.6536(7) 1.3190(5) 0.6760(5) 0.025(2) Uani 1 1 d . .
O8 O 0.3327(7) 1.0091(5) 0.6171(5) 0.023(2) Uani 1 1 d . .
O9 O 0.2468(9) 1.3050(6) 0.7213(6) 0.038(3) Uani 1 1 d . .
O10 O 0.5372(7) 1.0495(5) 0.6888(5) 0.025(2) Uani 1 1 d . .
O11 O 0.2831(7) 1.1058(6) 0.2818(5) 0.031(2) Uani 1 1 d . .
O12 O 0.5511(7) 1.2101(5) 0.7378(5) 0.022(2) Uani 1 1 d . .
O13 O 0.2824(7) 1.2081(5) 0.6276(6) 0.027(2) Uani 1 1 d . .
O14 O 0.6284(7) 1.3235(5) 0.5373(5) 0.023(2) Uani 1 1 d . .
O15 O 0.5661(7) 1.0889(5) 0.3991(5) 0.023(2) Uani 1 1 d . .
O16 O 0.4221(7) 1.1516(6) 0.5917(5) 0.024(2) Uani 1 1 d . .
O17 O 0.5332(7) 1.2460(5) 0.2789(5) 0.025(2) Uani 1 1 d . .
O18 O 0.4307(6) 1.2657(5) 0.5015(5) 0.019(2) Uani 1 1 d . .
O19 O 0.5120(7) 1.3431(5) 0.4155(5) 0.023(2) Uani 1 1 d . .
O20 O 0.3650(7) 1.2609(5) 0.3120(5) 0.026(2) Uani 1 1 d . .
O21 O 0.5498(7) 1.1632(5) 0.5039(5) 0.019(2) Uani 1 1 d . .
O22 O 0.4760(8) 1.0102(6) 0.8051(5) 0.030(2) Uani 1 1 d . .
O23 O 0.6288(6) 1.2341(5) 0.4167(5) 0.018(2) Uani 1 1 d . .
O24 O 0.4466(7) 1.1738(5) 0.3861(5) 0.021(2) Uani 1 1 d . .
O25 O 0.6779(8) 1.3586(5) 0.3663(5) 0.028(2) Uani 1 1 d . .
O26 O 0.4577(8) 1.3072(6) 0.6373(5) 0.030(2) Uani 1 1 d . .
O27 O 0.2654(7) 1.1903(6) 0.3995(6) 0.034(3) Uani 1 1 d . .
O28 O 0.1643(9) 1.2846(7) 0.8368(7) 0.048(3) Uani 1 1 d . .
O29 O 0.1223(10) 1.0545(10) 0.3374(9) 0.089(6) Uani 1 1 d . .
O30 O 0.5308(10) 1.4865(6) 0.8597(6) 0.048(3) Uani 1 1 d . .
O31 O 0.7040(10) 1.3232(7) 1.0075(6) 0.055(4) Uani 1 1 d . .
O32 O 0.4654(7) 1.0968(5) 0.2653(5) 0.025(2) Uani 1 1 d . .
O33 O 0.1138(8) 1.0055(6) 0.7582(7) 0.042(3) Uani 1 1 d . .
O34 O 0.8031(8) 1.3884(6) 0.7934(7) 0.046(3) Uani 1 1 d . .
O35 O 0.3329(9) 1.1238(7) 0.9895(6) 0.044(3) Uani 1 1 d . .
O36 O 0.7117(9) 1.2920(6) 0.2453(6) 0.038(3) Uani 1 1 d . .
O37 O 0.6351(9) 1.0092(6) 0.9168(6) 0.042(3) Uani 1 1 d . .
O38 O 0.2884(8) 1.3617(6) 0.5986(6) 0.033(3) Uani 1 1 d . .
O39 O 0.6782(7) 1.4618(5) 0.4808(5) 0.029(2) Uani 1 1 d . .
O40 O 0.5979(8) 1.3764(6) 0.7859(6) 0.034(3) Uani 1 1 d . .
O41 O 0.3169(7) 1.3490(6) 0.4204(5) 0.029(2) Uani 1 1 d . .
O42 O 0.3638(9) 1.3636(6) 0.8458(6) 0.040(3) Uani 1 1 d . .
O43 O 0.7421(7) 1.0783(6) 0.7037(6) 0.032(3) Uani 1 1 d . .
O44 O 0.2153(8) 1.1641(6) 0.7679(6) 0.039(3) Uani 1 1 d . .
O45 O 0.5071(9) 1.2253(6) 0.9736(5) 0.038(3) Uani 1 1 d . .
O46 O 0.5419(9) 1.3401(6) 0.8997(5) 0.039(3) Uani 1 1 d . .
O47 O 0.3062(8) 1.0783(6) 0.8454(6) 0.034(3) Uani 1 1 d . .
O48 O 0.6499(8) 1.1708(6) 0.9401(5) 0.037(3) Uani 1 1 d . .
O49 O 0.2251(8) 1.0822(6) 0.5197(6) 0.033(3) Uani 1 1 d . .
O50 O 0.3526(8) 1.1786(6) 0.1792(6) 0.033(3) Uani 1 1 d . .
O51 O 0.2859(8) 0.9743(6) 0.7348(6) 0.031(2) Uani 1 1 d . .
O52 O 0.8061(7) 1.2739(6) 0.3798(6) 0.031(2) Uani 1 1 d . .
O53 O 0.3336(9) 1.2262(6) 0.8873(6) 0.042(3) Uani 1 1 d . .
O54 O 0.4765(8) 1.0761(6) 0.9312(5) 0.033(3) Uani 1 1 d . .
O55 O 0.7895(7) 1.3511(6) 0.4872(5) 0.028(2) Uani 1 1 d . .
O56 O 0.6510(8) 1.1087(6) 0.8147(5) 0.031(2) Uani 1 1 d . .
O57 O 0.4214(8) 1.4004(5) 0.7330(5) 0.030(2) Uani 1 1 d . .
O58 O 0.7410(7) 1.2284(5) 0.7622(5) 0.029(2) Uani 1 1 d . .
O59 O 0.6289(7) 1.1700(5) 0.6331(5) 0.024(2) Uani 1 1 d . .
O60 O 0.6859(8) 1.2910(6) 0.8671(6) 0.036(3) Uani 1 1 d . .
O61 O 0.6625(7) 1.1545(5) 0.3031(5) 0.025(2) Uani 1 1 d . .
O1W O 0.886(2) 1.739(2) 0.5190(19) 0.090(10) Uiso 0.5 1 d . P
O2W O 0.030(3) 0.889(2) 0.249(2) 0.117(13) Uiso 0.5 1 d . P
O3W O -0.111(2) 0.6120(17) 0.3371(16) 0.171(10) Uiso 1 1 d . .
O4W O 0.1926(11) 0.9985(9) 1.1624(8) 0.075(4) Uani 1 1 d . .
O5W O 0.8926(10) 1.5507(8) 0.4522(9) 0.075(5) Uani 1 1 d . .
O6W O 0.243(4) 0.476(3) 0.833(3) 0.160(19) Uiso 0.5 1 d . P
O7W O 0.3234(15) 0.5246(12) 0.7180(11) 0.112(6) Uiso 1 1 d . .
O8W O 0.115(3) 0.836(2) 0.684(2) 0.099(11) Uiso 0.5 1 d . P
O9W O 0.5445(11) 0.5990(9) 0.7407(9) 0.080(5) Uiso 1 1 d . .
O10W O -0.057(2) 0.8169(18) 0.3807(17) 0.074(8) Uiso 0.5 1 d . P
O11W O 0.063(2) 0.7351(19) 0.2560(18) 0.083(9) Uiso 0.5 1 d . P
O12W O 0.906(2) 1.607(2) 0.6156(19) 0.090(10) Uiso 0.5 1 d . P
O13W O 0.1557(13) 0.6226(11) 0.3653(10) 0.099(6) Uiso 1 1 d . .
O14W O 0.1111(18) 0.5574(15) 0.7020(14) 0.148(8) Uiso 1 1 d . .
O15W O 0.106(2) 0.9807(19) 0.9996(18) 0.083(9) Uiso 0.5 1 d . P
O16W O 0.1479(19) 1.1646(15) 1.0737(15) 0.160(9) Uiso 1 1 d . .
N1 N 0.5800(9) 0.4742(8) 0.6612(7) 0.048(4) Uani 1 1 d D .
H1A H 0.565340 0.425889 0.672029 0.058 Uiso 1 1 calc R .
H1B H 0.564070 0.505254 0.691866 0.058 Uiso 1 1 calc R .
N2 N 0.3839(13) 0.9096(12) -0.0766(11) 0.086 Uiso 1 1 d D .
H2D H 0.415999 0.957729 -0.080388 0.103 Uiso 1 1 calc R .
H2E H 0.403999 0.902684 -0.031981 0.103 Uiso 1 1 calc R .
C1 C 0.6882(11) 0.4996(12) 0.6657(13) 0.073(7) Uani 1 1 d D .
H1C H 0.725558 0.497635 0.712265 0.110 Uiso 1 1 calc R .
H1D H 0.705410 0.465693 0.633013 0.110 Uiso 1 1 calc R .
H1E H 0.704029 0.552016 0.654590 0.110 Uiso 1 1 calc R .
C2 C 0.5215(13) 0.4769(10) 0.5899(8) 0.052(5) Uani 1 1 d D .
H2A H 0.451420 0.460360 0.587677 0.078 Uiso 1 1 calc R .
H2B H 0.536783 0.529263 0.578633 0.078 Uiso 1 1 calc R .
H2C H 0.538164 0.442940 0.557057 0.078 Uiso 1 1 calc R .
C3 C 0.2773(14) 0.9092(18) -0.0890(17) 0.112(10) Uani 1 1 d D .
H3C H 0.269332 0.948583 -0.056494 0.168 Uiso 1 1 calc R .
H3D H 0.253115 0.919587 -0.135991 0.168 Uiso 1 1 calc R .
H3E H 0.239924 0.859074 -0.082775 0.168 Uiso 1 1 calc R .
C4 C 0.4221(18) 0.8566(11) -0.1173(11) 0.077(7) Uani 1 1 d D .
H4A H 0.493435 0.867099 -0.100328 0.115 Uiso 1 1 calc R .
H4B H 0.392361 0.803700 -0.112546 0.115 Uiso 1 1 calc R .
H4C H 0.405552 0.864214 -0.165762 0.115 Uiso 1 1 calc R .
C5 C 0.2162(17) 0.9162(14) 0.5103(13) 0.086 Uiso 1 1 d D .
H5A H 0.282035 0.940618 0.538837 0.129 Uiso 1 1 calc R .
H5B H 0.220460 0.878731 0.474410 0.129 Uiso 1 1 calc R .
H5C H 0.186349 0.955037 0.489100 0.129 Uiso 1 1 calc R .
C6 C 0.0475(14) 0.8334(14) 0.5238(14) 0.087 Uiso 1 1 d D .
H6A H 0.019246 0.811530 0.559970 0.131 Uiso 1 1 calc R .
H6B H 0.010319 0.868579 0.503204 0.131 Uiso 1 1 calc R .
H6C H 0.044430 0.792273 0.488513 0.131 Uiso 1 1 calc R .
N3 N 0.1538(13) 0.8764(11) 0.5545(11) 0.086 Uiso 1 1 d D .
H3A H 0.154067 0.912218 0.588398 0.104 Uiso 1 1 calc R .
H3B H 0.185153 0.842677 0.575010 0.104 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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zr Zr -2.9673 0.5597 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 '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'
Na Na 0.0362 0.0249 '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
O27 Sb1 O11 89.2(4) . .
O29 Sb1 O11 89.9(6) . .
O29 Sb1 O27 91.2(6) . .
O35 W1 O4 173.0(5) . .
O35 W1 O45 101.0(5) . .
O35 W1 O47 102.9(5) . .
O35 W1 O53 101.5(5) . .
O35 W1 O54 101.6(5) . .
O45 W1 O4 74.5(4) . .
O47 W1 O4 81.8(4) . .
O47 W1 O45 156.1(5) . .
O47 W1 O53 87.0(5) . .
O47 W1 O54 87.9(4) . .
O53 W1 O4 83.8(4) . .
O53 W1 O45 88.2(5) . .
O54 W1 O4 73.1(4) . .
O54 W1 O45 87.3(5) . .
O54 W1 O53 156.9(5) . .
O31 W2 O4 172.1(5) . .
O31 W2 O45 101.2(6) . .
O31 W2 O46 101.4(5) . .
O31 W2 O48 102.4(5) . .
O31 W2 O60 101.2(6) . .
O45 W2 O4 72.2(4) . .
O46 W2 O4 82.5(4) . .
O46 W2 O45 84.1(5) . .
O48 W2 O4 73.3(4) . .
O48 W2 O45 86.9(5) . .
O48 W2 O46 155.7(5) . .
O60 W2 O4 85.8(4) . .
O60 W2 O45 157.0(5) . .
O60 W2 O46 86.3(5) . .
O60 W2 O48 93.5(5) . .
O9 W3 O5 73.3(4) . .
O9 W3 O42 86.1(5) . .
O9 W3 O53 155.6(5) . .
O28 W3 O5 170.5(5) . .
O28 W3 O9 101.8(5) . .
O28 W3 O42 99.9(5) . .
O28 W3 O44 102.8(5) . .
O28 W3 O53 102.0(5) . .
O42 W3 O5 71.9(4) . .
O44 W3 O5 85.9(4) . .
O44 W3 O9 93.5(5) . .
O44 W3 O42 156.9(4) . .
O44 W3 O53 86.6(5) . .
O53 W3 O5 82.3(4) . .
O53 W3 O42 84.5(5) . .
O30 W4 O5 171.8(5) . .
O30 W4 O40 102.2(5) . .
O30 W4 O42 100.6(5) . .
O30 W4 O46 102.3(5) . .
O30 W4 O57 100.3(5) . .
O40 W4 O5 83.0(4) . .
O42 W4 O5 74.1(4) . .
O42 W4 O40 157.1(4) . .
O46 W4 O5 84.1(4) . .
O46 W4 O40 87.8(5) . .
O46 W4 O42 88.5(5) . .
O46 W4 O57 157.3(4) . .
O57 W4 O5 73.4(4) . .
O57 W4 O40 87.5(5) . .
O57 W4 O42 87.3(5) . .
O9 W5 O5 72.0(4) . .
O13 W5 O5 84.8(4) . .
O13 W5 O9 86.6(4) . .
O13 W5 O57 155.5(4) . .
O26 W5 O5 86.0(4) . .
O26 W5 O9 157.8(4) . .
O26 W5 O13 94.0(4) . .
O26 W5 O57 88.7(4) . .
O38 W5 O5 166.5(4) . .
O38 W5 O9 98.0(5) . .
O38 W5 O13 104.0(5) . .
O38 W5 O26 103.3(5) . .
O38 W5 O57 99.0(4) . .
O57 W5 O5 71.1(4) . .
O57 W5 O9 81.9(5) . .
O7 W6 O12 79.3(4) . .
O7 W6 O40 91.5(4) . .
O7 W6 O58 94.8(4) . .
O7 W6 O60 160.2(5) . .
O34 W6 O7 102.0(5) . .
O34 W6 O12 173.6(4) . .
O34 W6 O40 101.1(5) . .
O34 W6 O58 99.9(5) . .
O34 W6 O60 97.6(5) . .
O40 W6 O12 85.1(4) . .
O40 W6 O60 81.6(4) . .
O58 W6 O12 73.7(4) . .
O58 W6 O40 156.3(5) . .
O58 W6 O60 84.9(4) . .
O60 W6 O12 81.7(4) . .
O22 W7 O4 85.8(4) . .
O22 W7 O48 157.2(4) . .
O22 W7 O54 89.7(5) . .
O22 W7 O56 93.6(5) . .
O37 W7 O4 166.4(4) . .
O37 W7 O22 104.2(5) . .
O37 W7 O48 97.9(5) . .
O37 W7 O54 99.4(5) . .
O37 W7 O56 103.6(5) . .
O48 W7 O4 71.6(4) . .
O54 W7 O4 71.0(4) . .
O54 W7 O48 81.2(5) . .
O56 W7 O4 84.6(4) . .
O56 W7 O48 86.5(5) . .
O56 W7 O54 155.2(4) . .
O6 W8 O3 73.4(4) . .
O6 W8 O44 84.9(4) . .
O6 W8 O47 154.9(4) . .
O33 W8 O3 174.3(5) . .
O33 W8 O6 100.9(5) . .
O33 W8 O44 97.6(5) . .
O33 W8 O47 101.4(5) . .
O33 W8 O51 102.2(5) . .
O44 W8 O3 81.9(4) . .
O47 W8 O3 84.1(4) . .
O47 W8 O44 81.0(4) . .
O51 W8 O3 78.8(4) . .
O51 W8 O6 95.0(4) . .
O51 W8 O44 159.8(5) . .
O51 W8 O47 91.3(4) . .
O3 W9 Na3 92.9(3) . 2_676
O6 W9 Na3 140.1(3) . 2_676
O6 W9 O3 71.4(4) . .
O6 W9 O13 82.6(4) . .
O8 W9 Na3 53.8(4) . 2_676
O8 W9 O3 77.4(4) . .
O8 W9 O6 86.5(4) . .
O8 W9 O13 158.1(4) . .
O13 W9 Na3 132.3(3) . 2_676
O13 W9 O3 81.1(4) . .
O16 W9 Na3 45.7(3) . 2_676
O16 W9 O3 86.8(4) . .
O16 W9 O6 156.9(4) . .
O16 W9 O8 96.3(4) . .
O16 W9 O13 86.6(4) . .
O49 W9 Na3 95.9(4) . 2_676
O49 W9 O3 168.9(4) . .
O49 W9 O6 97.5(5) . .
O49 W9 O8 102.5(4) . .
O49 W9 O13 97.8(4) . .
O49 W9 O16 104.2(5) . .
O11 W10 O17 164.1(4) . .
O11 W10 O20 88.3(4) . .
O11 W10 O24 79.3(4) . .
O17 W10 O24 85.0(4) . .
O20 W10 O17 84.6(4) . .
O20 W10 O24 70.8(4) . .
O32 W10 O11 94.6(4) . .
O32 W10 O17 85.7(4) . .
O32 W10 O20 153.5(4) . .
O32 W10 O24 83.8(4) . .
O50 W10 O11 97.7(5) . .
O50 W10 O17 97.5(5) . .
O50 W10 O20 101.1(4) . .
O50 W10 O24 171.3(4) . .
O50 W10 O32 104.6(5) . .
O17 W11 O23 85.6(4) . .
O17 W11 O25 91.2(4) . .
O17 W11 O52 164.1(4) . .
O17 W11 O61 94.4(4) . .
O25 W11 O23 73.0(4) . .
O25 W11 O52 81.4(4) . .
O36 W11 O17 100.2(5) . .
O36 W11 O23 170.5(5) . .
O36 W11 O25 99.2(5) . .
O36 W11 O52 94.9(5) . .
O36 W11 O61 103.0(5) . .
O52 W11 O23 78.8(4) . .
O61 W11 O23 83.9(4) . .
O61 W11 O25 155.7(4) . .
O61 W11 O52 87.0(4) . .
O10 W12 Na3 45.5(4) . 2_676
O10 W12 O12 86.6(4) . .
O10 W12 O56 86.9(4) . .
O10 W12 O58 156.2(4) . .
O10 W12 O59 95.2(4) . .
O12 W12 Na3 93.3(3) . 2_676
O43 W12 Na3 94.6(4) . 2_676
O43 W12 O10 103.8(4) . .
O43 W12 O12 169.6(4) . .
O43 W12 O56 99.3(4) . .
O43 W12 O58 98.6(5) . .
O43 W12 O59 101.7(5) . .
O56 W12 Na3 132.4(4) . 2_676
O56 W12 O12 80.2(3) . .
O58 W12 Na3 140.8(3) . 2_676
O58 W12 O12 71.0(4) . .
O58 W12 O56 81.5(4) . .
O59 W12 Na3 53.1(4) . 2_676
O59 W12 O12 77.8(4) . .
O59 W12 O56 157.7(4) . .
O59 W12 O58 88.1(4) . .
O18 W13 O19 86.0(4) . .
O18 W13 O20 153.5(4) . .
O18 W13 O24 84.3(4) . .
O18 W13 O27 95.1(5) . .
O19 W13 O24 84.4(3) . .
O20 W13 O19 83.9(4) . .
O20 W13 O24 70.5(3) . .
O27 W13 O19 163.3(4) . .
O27 W13 O20 88.0(4) . .
O27 W13 O24 79.1(4) . .
O41 W13 O18 103.7(4) . .
O41 W13 O19 98.6(4) . .
O41 W13 O20 101.9(4) . .
O41 W13 O24 171.6(4) . .
O41 W13 O27 97.3(5) . .
O14 W14 O19 94.1(4) . .
O14 W14 O23 83.8(4) . .
O14 W14 O25 154.6(4) . .
O14 W14 O55 87.0(4) . .
O19 W14 O23 84.7(4) . .
O19 W14 O25 91.0(4) . .
O19 W14 O55 162.5(4) . .
O25 W14 O23 72.0(3) . .
O25 W14 O55 80.9(4) . .
O39 W14 O14 103.5(4) . .
O39 W14 O19 101.5(4) . .
O39 W14 O23 169.9(4) . .
O39 W14 O25 99.7(4) . .
O39 W14 O55 95.2(4) . .
O55 W14 O23 78.1(4) . .
O8 Zr1 Na3 51.4(3) . 2_676
O8 Zr1 O15 72.2(3) . 2_676
O8 Zr1 O32 148.8(4) . 2_676
O8 Zr1 O51 75.3(4) . .
O10 Zr1 Na3 44.4(3) . 2_676
O10 Zr1 O8 83.3(4) . .
O10 Zr1 O15 81.6(4) . 2_676
O10 Zr1 O22 80.2(4) . .
O10 Zr1 O32 82.2(4) . 2_676
O10 Zr1 O51 127.6(4) . .
O15 Zr1 Na3 47.3(3) 2_676 2_676
O15 Zr1 O51 132.6(4) 2_676 .
O22 Zr1 Na3 123.6(4) . 2_676
O22 Zr1 O8 127.1(3) . .
O22 Zr1 O15 151.2(4) . 2_676
O22 Zr1 O32 77.2(4) . 2_676
O22 Zr1 O51 76.1(4) . .
O32 Zr1 Na3 100.2(3) 2_676 2_676
O32 Zr1 O15 78.4(4) 2_676 2_676
O32 Zr1 O51 134.6(4) 2_676 .
O51 Zr1 Na3 125.1(3) . 2_676
O61 Zr1 Na3 126.3(3) 2_676 2_676
O61 Zr1 O8 107.4(4) 2_676 .
O61 Zr1 O10 155.3(3) 2_676 .
O61 Zr1 O15 80.7(4) 2_676 2_676
O61 Zr1 O22 108.3(4) 2_676 .
O61 Zr1 O32 77.4(4) 2_676 2_676
O61 Zr1 O51 77.1(4) 2_676 .
O7 Zr2 Na3 124.7(3) . 2_676
O14 Zr2 Na3 126.4(3) . 2_676
O14 Zr2 O7 77.8(4) . .
O14 Zr2 O16 154.5(4) . .
O14 Zr2 O18 77.3(4) . .
O14 Zr2 O21 81.3(3) . .
O14 Zr2 O26 108.0(4) . .
O14 Zr2 O59 108.4(4) . .
O16 Zr2 Na3 44.3(3) . 2_676
O16 Zr2 O7 127.6(4) . .
O16 Zr2 O18 81.7(4) . .
O16 Zr2 O21 80.5(3) . .
O16 Zr2 O26 80.4(4) . .
O16 Zr2 O59 82.7(4) . .
O18 Zr2 Na3 100.7(3) . 2_676
O18 Zr2 O7 134.5(3) . .
O18 Zr2 O21 78.6(3) . .
O21 Zr2 Na3 47.0(3) . 2_676
O21 Zr2 O7 133.5(4) . .
O26 Zr2 Na3 123.7(3) . 2_676
O26 Zr2 O7 76.2(4) . .
O26 Zr2 O18 76.1(4) . .
O26 Zr2 O21 150.2(4) . .
O59 Zr2 Na3 50.5(3) . 2_676
O59 Zr2 O7 75.8(4) . .
O59 Zr2 O18 148.8(4) . .
O59 Zr2 O21 72.3(3) . .
O59 Zr2 O26 127.3(4) . .
O1 P1 O52 109.7(7) . .
O1 P1 O55 108.0(7) . .
O2 P1 O1 113.4(9) . .
O2 P1 O52 108.6(7) . .
O2 P1 O55 109.3(7) . .
O52 P1 O55 107.5(5) . .
O15 P2 O21 109.3(5) . .
O15 P2 O23 110.2(5) . .
O15 P2 O24 109.8(5) . .
O21 P2 O23 111.2(5) . .
O21 P2 O24 109.8(5) . .
O24 P2 O23 106.6(5) . .
O3 P3 O5 108.5(5) . .
O4 P3 O3 109.4(6) . .
O4 P3 O5 108.1(5) . .
O12 P3 O3 112.9(6) . .
O12 P3 O4 107.9(6) . .
O12 P3 O5 110.0(6) . .
O38 Na1 O39 98.8(4) 2_686 .
O38 Na1 O41 98.3(4) 2_686 2_686
O38 Na1 O1W 75.2(8) 2_686 .
O38 Na1 O5W 87.2(5) 2_686 .
O38 Na1 O12W 149.8(10) 2_686 .
O39 Na1 O41 101.9(4) . 2_686
O39 Na1 O1W 171.8(9) . .
O39 Na1 O5W 86.6(4) . .
O39 Na1 O12W 109.5(9) . .
O41 Na1 O1W 84.6(8) 2_686 .
O41 Na1 O12W 86.4(8) 2_686 .
O5W Na1 O41 169.0(5) . 2_686
O5W Na1 O1W 87.7(8) . .
O5W Na1 O12W 84.1(9) . .
O12W Na1 O1W 75.6(11) . .
O35 Na2 O37 83.0(4) . 2_677
O35 Na2 O50 100.5(5) . 1_556
O35 Na2 O4W 165.0(6) . .
O35 Na2 O15W 97.5(9) . .
O35 Na2 O16W 97.1(8) . .
O37 Na2 O50 101.2(5) 2_677 1_556
O37 Na2 O4W 83.1(5) 2_677 .
O37 Na2 O15W 94.9(8) 2_677 .
O37 Na2 O16W 179.8(9) 2_677 .
O50 Na2 O15W 157.1(9) 1_556 .
O4W Na2 O50 87.7(5) . 1_556
O4W Na2 O15W 78.3(9) . .
O16W Na2 O50 78.6(7) . 1_556
O16W Na2 O4W 96.9(8) . .
O16W Na2 O15W 85.3(10) . .
W9 Na3 W12 93.0(3) 2_676 2_676
W9 Na3 Zr1 65.8(2) 2_676 2_676
W9 Na3 Zr2 68.8(2) 2_676 2_676
W12 Na3 Zr1 68.8(2) 2_676 2_676
W12 Na3 Zr2 65.7(2) 2_676 2_676
Zr1 Na3 Zr2 111.7(3) 2_676 2_676
Na3 Na3 W9 132.5(6) 2_676 2_676
Na3 Na3 W12 134.5(6) 2_676 2_676
Na3 Na3 Zr1 124.4(6) 2_676 2_676
Na3 Na3 Zr2 123.9(6) 2_676 2_676
O8 Na3 W9 33.0(2) 2_676 2_676
O8 Na3 W12 93.7(4) 2_676 2_676
O8 Na3 Zr1 38.2(3) 2_676 2_676
O8 Na3 Zr2 98.9(4) 2_676 2_676
O8 Na3 Na3 123.7(7) 2_676 2_676
O10 Na3 W9 78.6(4) 2_676 2_676
O10 Na3 W12 31.6(3) 2_676 2_676
O10 Na3 Zr1 37.1(3) 2_676 2_676
O10 Na3 Zr2 86.5(4) 2_676 2_676
O10 Na3 Na3 140.6(7) 2_676 2_676
O10 Na3 O8 66.4(4) 2_676 2_676
O10 Na3 O15 68.1(4) 2_676 .
O10 Na3 O16 80.7(5) 2_676 2_676
O10 Na3 O21 120.0(6) 2_676 2_676
O10 Na3 O59 63.1(4) 2_676 2_676
O15 Na3 W9 90.6(4) . 2_676
O15 Na3 W12 95.8(4) . 2_676
O15 Na3 Zr1 38.7(3) . 2_676
O15 Na3 Zr2 150.4(5) . 2_676
O15 Na3 Na3 85.6(5) . 2_676
O15 Na3 O8 57.7(4) . 2_676
O15 Na3 O59 129.0(6) . 2_676
O16 Na3 W9 31.8(3) 2_676 2_676
O16 Na3 W12 78.5(4) 2_676 2_676
O16 Na3 Zr1 86.9(4) 2_676 2_676
O16 Na3 Zr2 36.9(3) 2_676 2_676
O16 Na3 Na3 138.7(8) 2_676 2_676
O16 Na3 O8 63.0(4) 2_676 2_676
O16 Na3 O15 119.9(6) 2_676 .
O16 Na3 O21 67.2(4) 2_676 2_676
O16 Na3 O59 65.9(4) 2_676 2_676
O21 Na3 W9 94.9(4) 2_676 2_676
O21 Na3 W12 91.1(4) 2_676 2_676
O21 Na3 Zr1 150.3(5) 2_676 2_676
O21 Na3 Zr2 38.6(3) 2_676 2_676
O21 Na3 Na3 85.4(6) 2_676 2_676
O21 Na3 O8 127.8(5) 2_676 2_676
O21 Na3 O15 171.0(6) 2_676 .
O21 Na3 O59 57.9(4) 2_676 2_676
O59 Na3 W9 93.4(4) 2_676 2_676
O59 Na3 W12 33.3(2) 2_676 2_676
O59 Na3 Zr1 99.1(4) 2_676 2_676
O59 Na3 Zr2 37.7(2) 2_676 2_676
O59 Na3 Na3 124.8(7) 2_676 2_676
O59 Na3 O8 111.5(5) 2_676 2_676
O1 Na4 O3W 95.8(9) 2_676 .
O1 Na4 O10W 95.9(10) 2_676 .
O1 Na4 O11W 170.3(9) 2_676 .
O1 Na4 O13W 93.6(7) 2_676 .
O3W Na4 O13W 87.0(9) . .
O10W Na4 O3W 87.8(10) . .
O10W Na4 O11W 93.2(11) . .
O10W Na4 O13W 169.6(11) . .
O11W Na4 O3W 87.9(11) . .
O11W Na4 O13W 77.6(9) . .
P1 O1 Na4 130.1(8) . 2_676
W8 O3 W9 91.4(4) . .
P3 O3 W8 129.3(5) . .
P3 O3 W9 127.4(5) . .
W1 O4 W2 89.3(3) . .
W1 O4 W7 91.1(3) . .
W7 O4 W2 89.8(3) . .
P3 O4 W1 128.0(6) . .
P3 O4 W2 124.5(6) . .
P3 O4 W7 123.1(5) . .
W4 O5 W3 89.8(3) . .
W4 O5 W5 90.9(3) . .
W5 O5 W3 90.3(3) . .
P3 O5 W3 124.7(5) . .
P3 O5 W4 127.8(6) . .
P3 O5 W5 122.4(5) . .
W8 O6 W9 121.6(5) . .
W6 O7 Zr2 135.9(5) . .
W9 O8 Zr1 137.7(5) . .
W9 O8 Na3 93.2(4) . 2_676
Zr1 O8 Na3 90.4(4) . 2_676
W3 O9 W5 124.4(5) . .
W12 O10 Zr1 158.6(6) . .
W12 O10 Na3 102.9(5) . 2_676
Zr1 O10 Na3 98.5(5) . 2_676
W10 O11 Sb1 125.0(5) . .
W6 O12 W12 91.3(3) . .
P3 O12 W6 130.1(5) . .
P3 O12 W12 127.8(5) . .
W5 O13 W9 145.9(5) . .
W14 O14 Zr2 149.7(5) . .
Zr1 O15 Na3 93.9(4) 2_676 .
P2 O15 Zr1 136.5(6) . 2_676
P2 O15 Na3 125.2(6) . .
W9 O16 Zr2 158.7(5) . .
W9 O16 Na3 102.5(5) . 2_676
Zr2 O16 Na3 98.8(4) . 2_676
W11 O17 W10 143.7(5) . .
W13 O18 Zr2 156.1(5) . .
W14 O19 W13 144.3(5) . .
W13 O20 W10 122.3(5) . .
Zr2 O21 Na3 94.4(4) . 2_676
P2 O21 Zr2 136.2(5) . .
P2 O21 Na3 125.9(6) . 2_676
W7 O22 Zr1 151.4(6) . .
W11 O23 W14 95.0(3) . .
P2 O23 W11 126.4(5) . .
P2 O23 W14 125.6(5) . .
W10 O24 W13 95.8(3) . .
P2 O24 W10 124.7(5) . .
P2 O24 W13 123.9(5) . .
W11 O25 W14 120.0(5) . .
W5 O26 Zr2 150.2(6) . .
W13 O27 Sb1 125.3(5) . .
W10 O32 Zr1 156.3(6) . 2_676
W1 O35 Na2 172.4(6) . .
W7 O37 Na2 151.1(7) . 2_677
W5 O38 Na1 164.0(6) . 2_686
W14 O39 Na1 160.2(6) . .
W4 O40 W6 151.7(6) . .
W13 O41 Na1 144.1(6) . 2_686
W4 O42 W3 124.0(5) . .
W3 O44 W8 152.6(6) . .
W1 O45 W2 123.8(5) . .
W4 O46 W2 148.5(6) . .
W1 O47 W8 153.9(6) . .
W2 O48 W7 125.2(5) . .
W10 O50 Na2 131.6(6) . 1_554
W8 O51 Zr1 135.9(5) . .
P1 O52 W11 134.3(6) . .
W1 O53 W3 148.8(6) . .
W1 O54 W7 124.7(5) . .
P1 O55 W14 135.1(6) . .
W7 O56 W12 145.6(6) . .
W4 O57 W5 124.5(5) . .
W6 O58 W12 121.4(5) . .
W12 O59 Zr2 137.7(5) . .
W12 O59 Na3 93.6(4) . 2_676
Zr2 O59 Na3 91.8(4) . 2_676
W2 O60 W6 152.7(6) . .
W11 O61 Zr1 149.1(5) . 2_676
H1A N1 H1B 108.1 . .
C1 N1 H1A 109.6 . .
C1 N1 H1B 109.6 . .
C2 N1 H1A 109.6 . .
C2 N1 H1B 109.6 . .
C2 N1 C1 110.2(15) . .
H2D N2 H2E 106.5 . .
C3 N2 H2D 106.4 . .
C3 N2 H2E 106.4 . .
C4 N2 H2D 106.4 . .
C4 N2 H2E 106.4 . .
C4 N2 C3 124(2) . .
N1 C1 H1C 109.5 . .
N1 C1 H1D 109.5 . .
N1 C1 H1E 109.5 . .
H1C C1 H1D 109.5 . .
H1C C1 H1E 109.5 . .
H1D C1 H1E 109.5 . .
N1 C2 H2A 109.5 . .
N1 C2 H2B 109.5 . .
N1 C2 H2C 109.5 . .
H2A C2 H2B 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
N2 C3 H3C 109.5 . .
N2 C3 H3D 109.5 . .
N2 C3 H3E 109.5 . .
H3C C3 H3D 109.5 . .
H3C C3 H3E 109.5 . .
H3D C3 H3E 109.5 . .
N2 C4 H4A 109.5 . .
N2 C4 H4B 109.5 . .
N2 C4 H4C 109.5 . .
H4A C4 H4B 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
H5A C5 H5B 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
N3 C5 H5A 109.5 . .
N3 C5 H5B 109.5 . .
N3 C5 H5C 109.5 . .
H6A C6 H6B 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
N3 C6 H6A 109.5 . .
N3 C6 H6B 109.5 . .
N3 C6 H6C 109.5 . .
C5 N3 C6 121(2) . .
C5 N3 H3A 107.0 . .
C5 N3 H3B 107.0 . .
C6 N3 H3A 107.0 . .
C6 N3 H3B 107.0 . .
H3A N3 H3B 106.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sb1 O11 1.984(11) .
Sb1 O27 1.966(10) .
Sb1 O29 1.913(13) .
W1 O4 2.392(10) .
W1 O35 1.722(11) .
W1 O45 1.911(12) .
W1 O47 1.883(11) .
W1 O53 1.910(10) .
W1 O54 1.899(9) .
W2 O4 2.458(11) .
W2 O31 1.719(12) .
W2 O45 1.952(12) .
W2 O46 1.951(10) .
W2 O48 1.859(10) .
W2 O60 1.822(11) .
W3 O5 2.445(10) .
W3 O9 1.889(11) .
W3 O28 1.721(10) .
W3 O42 1.958(12) .
W3 O44 1.828(11) .
W3 O53 1.917(11) .
W4 O5 2.387(10) .
W4 O30 1.706(10) .
W4 O40 1.907(10) .
W4 O42 1.905(12) .
W4 O46 1.884(10) .
W4 O57 1.890(10) .
W5 O5 2.422(10) .
W5 O9 2.010(10) .
W5 O13 1.845(10) .
W5 O26 1.790(10) .
W5 O38 1.723(10) .
W5 O57 1.982(10) .
W6 O7 1.812(10) .
W6 O12 2.353(10) .
W6 O34 1.731(11) .
W6 O40 1.936(10) .
W6 O58 1.873(9) .
W6 O60 2.030(11) .
W7 O4 2.426(9) .
W7 O22 1.807(11) .
W7 O37 1.714(10) .
W7 O48 2.024(10) .
W7 O54 1.985(10) .
W7 O56 1.834(11) .
W8 O3 2.357(10) .
W8 O6 1.877(11) .
W8 O33 1.723(11) .
W8 O44 2.031(9) .
W8 O47 1.938(11) .
W8 O51 1.809(9) .
W9 Na3 3.342(11) 2_676
W9 O3 2.362(10) .
W9 O6 1.992(9) .
W9 O8 1.821(8) .
W9 O13 2.010(9) .
W9 O16 1.805(9) .
W9 O49 1.720(10) .
W10 O11 1.903(11) .
W10 O17 1.997(10) .
W10 O20 1.978(9) .
W10 O24 2.306(9) .
W10 O32 1.790(8) .
W10 O50 1.724(10) .
W11 O17 1.835(9) .
W11 O23 2.261(9) .
W11 O25 1.935(9) .
W11 O36 1.714(10) .
W11 O52 2.033(10) .
W11 O61 1.842(9) .
W12 Na3 3.343(13) 2_676
W12 O10 1.799(10) .
W12 O12 2.378(8) .
W12 O43 1.728(9) .
W12 O56 2.025(10) .
W12 O58 2.005(10) .
W12 O59 1.839(9) .
W13 O18 1.784(9) .
W13 O19 1.984(10) .
W13 O20 1.956(10) .
W13 O24 2.336(8) .
W13 O27 1.904(10) .
W13 O41 1.721(9) .
W14 O14 1.820(10) .
W14 O19 1.850(9) .
W14 O23 2.298(8) .
W14 O25 1.946(10) .
W14 O39 1.722(9) .
W14 O55 2.027(9) .
Zr1 Na3 3.457(12) 2_676
Zr1 O8 2.139(9) .
Zr1 O10 2.110(10) .
Zr1 O15 2.168(9) 2_676
Zr1 O22 2.112(10) .
Zr1 O32 2.160(9) 2_676
Zr1 O51 2.179(9) .
Zr1 O61 2.091(10) 2_676
Zr2 Na3 3.468(11) 2_676
Zr2 O7 2.179(10) .
Zr2 O14 2.107(10) .
Zr2 O16 2.109(10) .
Zr2 O18 2.162(9) .
Zr2 O21 2.169(9) .
Zr2 O26 2.138(9) .
Zr2 O59 2.120(8) .
P1 O1 1.505(12) .
P1 O2 1.473(13) .
P1 O52 1.563(11) .
P1 O55 1.575(10) .
P2 O15 1.506(9) .
P2 O21 1.511(9) .
P2 O23 1.548(10) .
P2 O24 1.542(9) .
P3 O3 1.533(11) .
P3 O4 1.529(10) .
P3 O5 1.537(10) .
P3 O12 1.520(10) .
Na1 O38 2.357(12) 2_686
Na1 O39 2.374(12) .
Na1 O41 2.448(11) 2_686
Na1 O1W 2.69(4) .
Na1 O5W 2.421(15) .
Na1 O12W 2.45(4) .
Na2 O35 2.367(14) .
Na2 O37 2.392(13) 2_677
Na2 O50 2.497(13) 1_556
Na2 O4W 2.449(17) .
Na2 O15W 2.53(4) .
Na2 O16W 2.42(3) .
Na3 Na3 2.86(2) 2_676
Na3 O8 2.702(15) 2_676
Na3 O10 2.445(16) 2_676
Na3 O15 2.548(15) .
Na3 O16 2.450(14) 2_676
Na3 O21 2.544(15) 2_676
Na3 O59 2.678(16) 2_676
Na4 O1 2.37(2) 2_676
Na4 O3W 2.65(3) .
Na4 O10W 2.46(3) .
Na4 O11W 2.61(4) .
Na4 O13W 2.66(2) .
N1 H1A 0.8900 .
N1 H1B 0.8900 .
N1 C1 1.479(10) .
N1 C2 1.475(9) .
N2 H2D 0.8900 .
N2 H2E 0.8900 .
N2 C3 1.473(10) .
N2 C4 1.467(10) .
C1 H1C 0.9600 .
C1 H1D 0.9600 .
C1 H1E 0.9600 .
C2 H2A 0.9600 .
C2 H2B 0.9600 .
C2 H2C 0.9600 .
C3 H3C 0.9600 .
C3 H3D 0.9600 .
C3 H3E 0.9600 .
C4 H4A 0.9600 .
C4 H4B 0.9600 .
C4 H4C 0.9600 .
C5 H5A 0.9600 .
C5 H5B 0.9600 .
C5 H5C 0.9600 .
C5 N3 1.485(10) .
C6 H6A 0.9600 .
C6 H6B 0.9600 .
C6 H6C 0.9600 .
C6 N3 1.491(10) .
N3 H3A 0.8900 .
N3 H3B 0.8900 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
N1 H1A O7 0.89 2.49 3.169(16) 133.1 1_545 yes
N1 H1A O26 0.89 2.26 3.024(17) 143.6 1_545 yes
N1 H1A O40 0.89 2.46 3.112(17) 130.5 1_545 yes
N1 H1A O57 0.89 2.57 3.030(17) 112.9 1_545 yes
N1 H1B O9W 0.89 1.97 2.83(2) 161.4 . yes
N2 H2D O22 0.89 2.75 3.36(2) 127.4 1_554 yes
N2 H2D O54 0.89 2.06 2.93(2) 165.9 1_554 yes
N2 H2E O48 0.89 2.47 3.22(2) 142.4 2_676 yes
N2 H2E O54 0.89 2.25 3.05(2) 150.6 2_676 yes
N3 H3A O8 0.89 2.64 3.00(2) 105.5 . yes
N3 H3B O52 0.89 2.33 3.16(2) 154.8 2_676 yes
