#------------------------------------------------------------------------------
#$Date: 2016-03-23 23:57:12 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179519 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/16/4341635.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_4341635
loop_
_publ_author_name
'Artetxe, Beñat'
'Reinoso, Santiago'
'San Felices, Leire'
'Vitoria, Pablo'
'Pache, Aroa'
'Martín-Caballero, Jagoba'
'Gutiérrez-Zorrilla, Juan M'
_publ_section_title
;
 Functionalization of krebs-type polyoxometalates with n,o-chelating
 ligands: a systematic study.
;
_journal_issue                   1
_journal_name_full               'Inorganic chemistry'
_journal_page_first              241
_journal_page_last               252
_journal_paper_doi               10.1021/ic502232v
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         'C8 H82 K4 N4 Na8 Ni2 O112 Sb2 W20'
_chemical_formula_sum            'C8 H82 K4 N4 Na8 Ni2 O112 Sb2 W20'
_chemical_formula_weight         6405.02
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
_audit_creation_date             2014-01-28T16:30:13-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                91.809(3)
_cell_angle_beta                 99.309(2)
_cell_angle_gamma                104.266(3)
_cell_formula_units_Z            1
_cell_length_a                   12.2030(4)
_cell_length_b                   13.3843(5)
_cell_length_c                   17.3303(4)
_cell_measurement_reflns_used    12555
_cell_measurement_temperature    100.1(4)
_cell_measurement_theta_max      28.25
_cell_measurement_theta_min      1.928
_cell_volume                     2699.56(15)
_computing_cell_refinement
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
        (compiled Dec  3 2012,18:21:49)
;
_computing_data_collection
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
        (compiled Dec  3 2012,18:21:49)
;
_computing_data_reduction
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
        (compiled Dec  3 2012,18:21:49)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2013)'
_diffrn_ambient_temperature      100.1(4)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.2439
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device       'κ-geometry diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0103521
_diffrn_orient_matrix_UB_12      0.0473778
_diffrn_orient_matrix_UB_13      0.0122924
_diffrn_orient_matrix_UB_21      0.0577073
_diffrn_orient_matrix_UB_22      0.0259549
_diffrn_orient_matrix_UB_23      -0.0014863
_diffrn_orient_matrix_UB_31      -0.0165326
_diffrn_orient_matrix_UB_32      0.009407
_diffrn_orient_matrix_UB_33      -0.0397048
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0468
_diffrn_reflns_av_unetI/netI     0.0633
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            20516
_diffrn_reflns_theta_full        26
_diffrn_reflns_theta_max         26
_diffrn_reflns_theta_min         1.57
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    22.351
_exptl_absorpt_correction_T_max  0.399
_exptl_absorpt_correction_T_min  0.047
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
        (compiled Dec  3 2012,18:21:49)
Analytical numeric absorption correction using a multifaceted crystal
                        model based on expressions derived by R.C. Clark & J.S.
        (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    3.94
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2856
_exptl_crystal_size_max          0.1937
_exptl_crystal_size_mid          0.0738
_exptl_crystal_size_min          0.0511
_refine_diff_density_max         6.363
_refine_diff_density_min         -4.35
_refine_diff_density_rms         0.653
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     404
_refine_ls_number_reflns         10597
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0651
_refine_ls_R_factor_gt           0.0587
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0933P)²+100.6794P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1613
_refine_ls_wR_factor_ref         0.1685
_reflns_number_gt                9386
_reflns_number_total             10597
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic502232v_si_002.cif
_cod_data_source_block           2-SbNi
_cod_depositor_comments
'Adding full bibliography for 4341628--4341641.cif.'
_cod_original_cell_volume        2699.55(15)
_cod_database_code               4341635
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
W1 W 0.67771(5) 1.13562(5) 0.98529(4) 0.00928(16) Uani 1 1 d
W3 W 0.24410(6) 0.65625(5) 0.88350(4) 0.01095(16) Uani 1 1 d
W2 W 0.09538(5) 0.83549(6) 0.86561(4) 0.01063(16) Uani 1 1 d
W8 W 0.53073(5) 0.70783(5) 0.83035(4) 0.01080(16) Uani 1 1 d
W7 W 0.55630(5) 0.87184(5) 0.68903(4) 0.01008(16) Uani 1 1 d
W9 W 0.31372(5) 0.67899(5) 0.68366(4) 0.01067(16) Uani 1 1 d
W5 W 0.39293(5) 1.06608(5) 0.66888(4) 0.01016(16) Uani 1 1 d
W4 W 0.20932(5) 1.08404(5) 0.78724(4) 0.00999(16) Uani 1 1 d
W6 W 0.14818(5) 0.87644(5) 0.66337(4) 0.01000(16) Uani 1 1 d
W10 W 0.63833(5) 0.84032(5) 1.01893(4) 0.01094(16) Uani 1 1 d
Sb1 Sb 0.41537(9) 0.93134(9) 0.84054(6) 0.0088(2) Uani 1 1 d
Ni1 Ni 0.68425(17) 1.13379(17) 0.76813(12) 0.0099(4) Uani 1 1 d
O1L O 0.7208(10) 1.2918(10) 0.7706(7) 0.015(3) Uiso 1 1 d
O2L O 0.7569(13) 1.4237(12) 0.6964(9) 0.034(4) Uiso 1 1 d
N1 N 0.6782(12) 1.1010(11) 0.5828(8) 0.012(3) Uiso 1 1 d
H1 H 0.6629 1.0332 0.5768 0.014 Uiso 1 1 calc
N2 N 0.6934(13) 1.1553(13) 0.6538(9) 0.019(3) Uiso 1 1 d
C3 C 0.7158(17) 1.2541(16) 0.6374(12) 0.023(4) Uiso 1 1 d
C4 C 0.7146(17) 1.2619(16) 0.5562(12) 0.023(4) Uiso 1 1 d
H4 H 0.7289 1.324 0.5302 0.028 Uiso 1 1 calc
C5 C 0.6893(14) 1.1637(14) 0.5222(10) 0.014(3) Uiso 1 1 d
H5 H 0.6811 1.1433 0.4681 0.017 Uiso 1 1 calc
C6 C 0.7321(16) 1.3294(15) 0.7040(11) 0.019(4) Uiso 1 1 d
K1 K 0.8001(3) 0.9310(3) 0.8654(2) 0.0176(8) Uani 1 1 d
K2 K 0.5149(5) 0.7027(5) 1.1823(4) 0.0224(12) Uani 0.7 1 d
K3 K -0.0076(13) 0.5586(15) 0.7091(9) 0.034(4) Uani 0.3 1 d
Na1 Na 0.2006(7) 1.4250(6) 0.5262(5) 0.0243(17) Uiso 1 1 d
Na2 Na 0.2781(8) 0.4822(7) 1.1917(5) 0.0203(19) Uiso 0.8 1 d
Na3 Na 0.3262(6) 1.2187(6) 0.4925(4) 0.0195(15) Uiso 1 1 d
Na4 Na 0.0704(14) 1.3183(14) 0.8576(10) 0.043(4) Uiso 0.6 1 d
Na5 Na 0.3493(15) 1.4469(14) 0.9710(10) 0.045(4) Uiso 0.6 1 d
O1 O 0.8597(11) 1.1415(10) 0.7823(7) 0.019(3) Uiso 1 1 d
O46 O 0.1018(10) 1.0004(9) 0.7035(7) 0.015(2) Uiso 1 1 d
O1S O 0.2906(10) 0.8354(9) 0.8837(7) 0.012(2) Uiso 1 1 d
O1T O 0.6942(10) 1.1383(9) 0.8873(7) 0.012(2) Uiso 1 1 d
O1W O 0.0375(15) 1.3228(14) 0.5814(10) 0.042(4) Uiso 1 1 d
O3S O 0.4298(9) 0.8142(9) 0.7693(6) 0.009(2) Uiso 1 1 d
O3T O 0.1927(10) 0.5269(10) 0.8953(7) 0.016(3) Uiso 1 1 d
O2W O 0.0789(15) 1.5117(14) 0.4491(11) 0.046(4) Uiso 1 1 d
O2S O 0.3034(10) 0.9658(9) 0.7545(7) 0.012(2) Uiso 1 1 d
O2T O -0.0497(10) 0.8168(10) 0.8646(7) 0.016(3) Uiso 1 1 d
O3W O 0.1866(11) 1.2948(11) 0.4214(8) 0.023(3) Uiso 1 1 d
O8T O 0.6143(10) 0.6263(9) 0.8634(7) 0.014(2) Uiso 1 1 d
O4W O 0.3501(14) 1.5078(13) 0.4424(10) 0.038(4) Uiso 1 1 d
O7M O 0.6365(9) 0.9771(9) 0.7608(7) 0.011(2) Uiso 1 1 d
O7T O 0.6427(10) 0.8785(9) 0.6179(7) 0.014(2) Uiso 1 1 d
O5W O 0.3118(13) 1.3261(12) 0.6079(9) 0.032(3) Uiso 1 1 d
O9T O 0.2483(10) 0.5746(10) 0.6192(7) 0.016(3) Uiso 1 1 d
O6W O 0.4717(11) 1.3562(11) 0.4649(8) 0.024(3) Uiso 1 1 d
O5M O 0.5095(10) 1.1163(9) 0.7472(7) 0.014(2) Uiso 1 1 d
O5T O 0.4220(10) 1.1395(10) 0.5912(7) 0.015(3) Uiso 1 1 d
O7W O 0.1604(11) 1.0676(10) 0.4842(8) 0.021(3) Uiso 1 1 d
O4T O 0.1404(10) 1.1769(9) 0.8049(7) 0.012(2) Uiso 1 1 d
O8W O 0.087(3) 1.389(2) 0.7398(18) 0.097(9) Uiso 1 1 d
O6T O 0.0271(10) 0.8346(9) 0.5918(7) 0.014(2) Uiso 1 1 d
O9W O -0.0943(14) 1.3498(13) 0.9018(10) 0.037(4) Uiso 1 1 d
O10A O 0.5983(10) 0.7098(10) 1.0350(7) 0.016(3) Uiso 1 1 d
O10B O 0.7843(10) 0.8587(9) 1.0123(7) 0.013(2) Uiso 1 1 d
O10W O 0.1612(16) 1.3349(15) 0.9780(11) 0.048(4) Uiso 1 1 d
O11W O 0.6712(18) 0.5838(17) 1.1899(13) 0.064(6) Uiso 1 1 d
O13 O 0.2654(10) 0.7097(9) 0.9901(7) 0.013(2) Uiso 1 1 d
O12W O 0.4788(14) 0.5421(13) 1.2980(10) 0.038(4) Uiso 1 1 d
O12 O 0.1488(9) 0.8500(9) 0.9731(7) 0.011(2) Uiso 1 1 d
O13W O 0.3397(13) 0.5683(12) 1.0851(9) 0.030(3) Uiso 1 1 d
O14W O 0.2122(13) 0.3286(12) 1.2623(9) 0.031(3) Uiso 1 1 d
O15W O 0.0988(14) 0.4424(13) 1.1063(10) 0.040(4) Uiso 1 1 d
O17W O 0.8700(11) 0.9556(11) 0.7158(8) 0.024(3) Uiso 1 1 d
O18W O 0.9749(11) 1.1018(11) 0.9211(8) 0.024(3) Uiso 1 1 d
O23 O 0.0972(10) 0.6901(9) 0.8632(7) 0.011(2) Uiso 1 1 d
O38 O 0.4026(9) 0.6682(9) 0.8870(6) 0.010(2) Uiso 1 1 d
O39 O 0.2347(10) 0.6565(10) 0.7695(7) 0.016(3) Uiso 1 1 d
O24 O 0.1416(10) 0.9783(9) 0.8526(7) 0.012(2) Uiso 1 1 d
O26 O 0.1010(10) 0.8159(9) 0.7535(7) 0.013(2) Uiso 1 1 d
O78 O 0.6189(11) 0.7701(10) 0.7551(7) 0.019(3) Uiso 1 1 d
O89 O 0.4267(10) 0.6174(9) 0.7451(7) 0.012(2) Uiso 1 1 d
O79 O 0.4355(10) 0.7433(9) 0.6338(7) 0.012(2) Uiso 1 1 d
O57 O 0.4544(10) 0.9512(9) 0.6469(7) 0.012(2) Uiso 1 1 d
O69 O 0.2281(10) 0.7775(9) 0.6499(7) 0.015(2) Uiso 1 1 d
O45 O 0.2970(10) 1.1466(9) 0.7128(7) 0.011(2) Uiso 1 1 d
O56 O 0.2412(9) 0.9738(9) 0.6098(6) 0.009(2) Uiso 1 1 d
O101 O 0.5336(9) 1.1462(9) 0.9818(7) 0.011(2) Uiso 1 1 d
O110 O 0.6542(10) 1.0000(9) 1.0020(7) 0.013(2) Uiso 1 1 d
O810 O 0.5866(9) 0.8229(9) 0.9029(7) 0.010(2) Uiso 1 1 d
O410 O 0.3398(10) 1.1158(9) 0.8713(7) 0.014(2) Uiso 1 1 d
O16W O 0.0059(13) 1.1130(12) 0.5840(9) 0.031(3) Uiso 1 1 d
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 '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'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 '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 -0.849 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-2 -4 24 0.0358
2 4 -24 0.0306
17 -4 3 0.0653
-17 4 1 0.1166
0 -18 -4 0.0066
0 18 1 0.038
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
O1S W1 K1 125.1(3) 2_677 .
O1T W1 K1 54.0(4) . .
O1T W1 O1S 162.7(5) . 2_677
O1T W1 O13 95.4(5) . 2_677
O1T W1 O12 94.0(5) . 2_677
O1T W1 O101 103.2(5) . .
O1T W1 O110 103.0(5) . .
O13 W1 K1 131.8(3) 2_677 .
O13 W1 O1S 72.8(4) 2_677 2_677
O13 W1 O12 79.3(5) 2_677 2_677
O12 W1 K1 68.6(3) 2_677 .
O12 W1 O1S 71.8(4) 2_677 2_677
O101 W1 K1 129.9(4) . .
O101 W1 O1S 89.6(5) . 2_677
O101 W1 O13 89.2(5) . 2_677
O101 W1 O12 160.2(5) . 2_677
O101 W1 O110 98.4(5) . .
O110 W1 K1 55.8(4) . .
O110 W1 O1S 86.3(5) . 2_677
O110 W1 O13 157.8(5) . 2_677
O110 W1 O12 87.2(5) . 2_677
Na5 W3 K3 112.5(4) 1_545 .
O1S W3 K3 105.3(4) . .
O1S W3 Na5 141.4(4) . 1_545
O3T W3 K3 75.3(5) . .
O3T W3 Na5 41.5(5) . 1_545
O3T W3 O1S 169.1(5) . .
O3T W3 O13 99.2(5) . .
O3T W3 O23 97.3(5) . .
O3T W3 O38 102.1(5) . .
O3T W3 O39 101.8(6) . .
O13 W3 K3 137.8(4) . .
O13 W3 Na5 83.6(4) . 1_545
O13 W3 O1S 72.9(4) . .
O13 W3 O23 89.6(5) . .
O13 W3 O39 158.7(5) . .
O23 W3 K3 51.1(4) . .
O23 W3 Na5 135.5(4) . 1_545
O23 W3 O1S 75.6(4) . .
O23 W3 O39 84.5(5) . .
O38 W3 K3 128.8(4) . .
O38 W3 Na5 64.9(4) . 1_545
O38 W3 O1S 86.0(5) . .
O38 W3 O13 93.4(5) . .
O38 W3 O23 159.6(5) . .
O38 W3 O39 85.5(5) . .
O39 W3 K3 47.2(4) . .
O39 W3 Na5 114.6(5) . 1_545
O39 W3 O1S 85.8(5) . .
O1S W2 K1 161.5(3) . 1_455
O2T W2 K1 25.6(4) . 1_455
O2T W2 O1S 169.0(5) . .
O2T W2 O12 100.1(5) . .
O2T W2 O23 97.0(5) . .
O2T W2 O24 101.8(5) . .
O2T W2 O26 102.0(5) . .
O12 W2 K1 98.5(3) . 1_455
O12 W2 O1S 73.1(4) . .
O12 W2 O23 90.3(5) . .
O12 W2 O24 94.5(5) . .
O12 W2 O26 157.4(5) . .
O23 W2 K1 122.6(3) . 1_455
O23 W2 O1S 74.6(4) . .
O23 W2 O26 82.3(5) . .
O24 W2 K1 76.5(3) . 1_455
O24 W2 O1S 87.6(5) . .
O24 W2 O23 159.4(5) . .
O24 W2 O26 85.7(5) . .
O26 W2 K1 103.5(3) . 1_455
O26 W2 O1S 84.4(4) . .
O3S W8 K1 89.5(3) . .
O8T W8 K1 88.8(4) . .
O8T W8 O3S 171.4(5) . .
O8T W8 O38 102.3(5) . .
O8T W8 O78 97.4(5) . .
O8T W8 O89 99.0(5) . .
O8T W8 O810 103.0(5) . .
O38 W8 K1 132.2(3) . .
O38 W8 O3S 85.0(4) . .
O78 W8 K1 52.1(4) . .
O78 W8 O3S 75.0(5) . .
O78 W8 O38 159.8(5) . .
O78 W8 O89 88.3(5) . .
O89 W8 K1 140.3(3) . .
O89 W8 O3S 77.0(4) . .
O89 W8 O38 84.2(5) . .
O810 W8 K1 45.7(3) . .
O810 W8 O3S 81.7(4) . .
O810 W8 O38 86.6(5) . .
O810 W8 O78 93.5(5) . .
O810 W8 O89 157.5(5) . .
O3S W7 K1 89.7(3) . .
O7M W7 K1 39.5(4) . .
O7M W7 O3S 91.2(5) . .
O7M W7 O78 90.3(5) . .
O7M W7 O79 162.6(5) . .
O7M W7 O57 91.6(5) . .
O7T W7 K1 96.4(4) . .
O7T W7 O3S 163.4(5) . .
O7T W7 O7M 103.3(5) . .
O7T W7 O78 98.0(5) . .
O7T W7 O79 93.9(5) . .
O7T W7 O57 101.2(5) . .
O78 W7 K1 52.3(4) . .
O78 W7 O3S 73.5(4) . .
O78 W7 O79 85.0(5) . .
O79 W7 K1 137.0(3) . .
O79 W7 O3S 71.4(4) . .
O57 W7 K1 130.8(4) . .
O57 W7 O3S 86.2(4) . .
O57 W7 O78 159.7(5) . .
O57 W7 O79 87.2(5) . .
O3S W9 K3 120.2(4) . .
O9T W9 K3 67.9(5) . .
O9T W9 O3S 170.8(5) . .
O9T W9 O39 104.2(6) . .
O9T W9 O89 97.2(5) . .
O9T W9 O79 100.7(6) . .
O9T W9 O69 102.3(5) . .
O39 W9 K3 44.5(4) . .
O39 W9 O3S 81.5(5) . .
O39 W9 O89 85.5(5) . .
O39 W9 O69 88.9(5) . .
O89 W9 K3 114.5(4) . .
O89 W9 O3S 75.8(4) . .
O79 W9 K3 157.8(4) . .
O79 W9 O3S 73.1(5) . .
O79 W9 O39 154.3(5) . .
O79 W9 O89 85.1(5) . .
O79 W9 O69 92.0(5) . .
O69 W9 K3 73.0(5) . .
O69 W9 O3S 84.8(5) . .
O69 W9 O89 160.4(5) . .
O2S W5 K2 91.3(3) . 2_677
O5M W5 K2 43.6(4) . 2_677
O5M W5 O2S 88.1(5) . .
O5M W5 O57 91.2(5) . .
O5M W5 O45 91.2(5) . .
O5M W5 O56 159.0(5) . .
O5T W5 K2 93.7(4) . 2_677
O5T W5 O2S 163.9(5) . .
O5T W5 O5M 106.1(6) . .
O5T W5 O57 101.3(5) . .
O5T W5 O45 97.8(5) . .
O5T W5 O56 94.9(5) . .
O57 W5 K2 134.8(4) . 2_677
O57 W5 O2S 85.8(5) . .
O57 W5 O45 159.3(5) . .
O57 W5 O56 84.6(5) . .
O45 W5 K2 50.8(3) . 2_677
O45 W5 O2S 73.8(4) . .
O45 W5 O56 85.9(5) . .
O56 W5 K2 136.7(3) . 2_677
O56 W5 O2S 71.2(4) . .
O46 W4 K2 139.2(4) . 2_677
O46 W4 O2S 77.3(5) . .
O46 W4 O24 84.4(5) . .
O46 W4 O410 155.6(5) . .
O2S W4 K2 91.1(3) . 2_677
O4T W4 K2 87.4(4) . 2_677
O4T W4 O46 101.1(5) . .
O4T W4 O2S 175.4(5) . .
O4T W4 O24 100.3(5) . .
O4T W4 O45 100.6(5) . .
O4T W4 O410 102.4(5) . .
O24 W4 K2 133.6(4) . 2_677
O24 W4 O2S 83.9(4) . .
O45 W4 K2 50.3(4) . 2_677
O45 W4 O46 88.9(5) . .
O45 W4 O2S 75.2(4) . .
O45 W4 O24 159.0(5) . .
O45 W4 O410 93.2(5) . .
O410 W4 K2 48.9(4) . 2_677
O410 W4 O2S 79.7(5) . .
O410 W4 O24 85.0(5) . .
O46 W6 O2S 74.7(4) . .
O6T W6 O46 94.9(5) . .
O6T W6 O2S 168.0(5) . .
O6T W6 O26 103.3(5) . .
O6T W6 O69 102.1(5) . .
O6T W6 O56 100.3(5) . .
O26 W6 O46 85.0(5) . .
O26 W6 O2S 82.0(5) . .
O69 W6 O46 163.0(5) . .
O69 W6 O2S 88.4(5) . .
O69 W6 O26 90.9(5) . .
O69 W6 O56 93.0(5) . .
O56 W6 O46 84.0(5) . .
O56 W6 O2S 73.1(4) . .
O56 W6 O26 154.6(5) . .
K1 W10 K2 166.46(11) . .
O10A W10 K1 121.4(4) . .
O10A W10 K2 48.2(4) . .
O10A W10 O10B 101.9(6) . .
O10A W10 O101 91.3(5) . 2_677
O10A W10 O110 168.8(5) . .
O10A W10 O810 96.3(5) . .
O10A W10 O410 93.5(5) . 2_677
O10B W10 K1 47.7(4) . .
O10B W10 K2 121.4(4) . .
O10B W10 O101 166.6(5) . 2_677
O10B W10 O110 89.2(5) . .
O10B W10 O810 93.7(5) . .
O10B W10 O410 97.3(5) . 2_677
O101 W10 K1 122.9(3) 2_677 .
O101 W10 K2 69.3(3) 2_677 .
O110 W10 K1 67.0(3) . .
O110 W10 K2 124.7(3) . .
O110 W10 O101 77.6(4) . 2_677
O810 W10 K1 51.1(3) . .
O810 W10 K2 131.8(3) . .
O810 W10 O101 82.7(4) . 2_677
O810 W10 O110 83.5(5) . .
O410 W10 K1 132.2(4) 2_677 .
O410 W10 K2 50.0(4) 2_677 .
O410 W10 O101 83.8(5) 2_677 2_677
O410 W10 O110 84.3(5) 2_677 .
O410 W10 O810 163.4(5) 2_677 .
O1S Sb1 O3S 90.7(5) . .
O1S Sb1 O2S 92.3(5) . .
O2S Sb1 O3S 89.4(5) . .
O1L Ni1 K1 139.1(3) . .
O1L Ni1 K2 54.9(4) . 2_677
O1L Ni1 O1 89.9(5) . .
O1L Ni1 O5M 93.5(5) . .
N2 Ni1 O1L 79.5(6) . .
N2 Ni1 K1 120.1(5) . .
N2 Ni1 K2 104.2(5) . 2_677
N2 Ni1 O1 85.8(6) . .
N2 Ni1 O1T 169.7(6) . .
N2 Ni1 O5M 91.6(6) . .
K1 Ni1 K2 134.52(12) . 2_677
O1 Ni1 K1 59.4(4) . .
O1 Ni1 K2 139.5(4) . 2_677
O1T Ni1 O1L 91.2(5) . .
O1T Ni1 K1 64.8(3) . .
O1T Ni1 K2 73.4(3) . 2_677
O1T Ni1 O1 89.8(5) . .
O1T Ni1 O5M 93.4(5) . .
O7M Ni1 O1L 175.7(5) . .
O7M Ni1 N2 98.9(6) . .
O7M Ni1 K1 45.1(3) . .
O7M Ni1 K2 122.2(3) . 2_677
O7M Ni1 O1 93.9(5) . .
O7M Ni1 O1T 90.7(5) . .
O7M Ni1 O5M 82.5(5) . .
O5M Ni1 K1 119.1(3) . .
O5M Ni1 K2 45.1(4) . 2_677
O5M Ni1 O1 175.2(5) . .
Ni1 O1L K2 92.7(4) . 2_677
C6 O1L Ni1 114.8(12) . .
C6 O1L K2 112.1(11) . 2_677
C6 O2L K3 125.6(13) . 1_665
C6 O2L Na2 110.7(13) . 2_677
Na2 O2L K3 91.9(6) 2_677 1_665
C5 N1 N2 112.7(14) . .
N1 N2 Ni1 141.3(12) . .
C3 N2 Ni1 113.9(13) . .
C3 N2 N1 104.7(15) . .
N2 C3 C4 110.3(18) . .
N2 C3 C6 115.7(17) . .
C4 C3 C6 134.0(19) . .
C5 C4 C3 107.3(18) . .
C4 C5 N1 105.0(16) . .
O1L C6 C3 116.0(17) . .
O1L C6 Na2 76.8(10) . 2_677
O2L C6 O1L 122.4(18) . .
O2L C6 C3 121.5(17) . .
O2L C6 Na2 47.3(10) . 2_677
C3 C6 Na2 162.8(13) . 2_677
W10 K1 Ni1 108.80(10) . .
O1 K1 W10 135.0(3) . .
O1 K1 Ni1 34.4(2) . .
O1 K1 O1T 52.9(3) . .
O1 K1 O110 100.1(3) . .
O1T K1 W10 82.4(2) . .
O1T K1 Ni1 33.3(2) . .
O1T K1 O110 48.3(3) . .
O2T K1 W10 106.0(3) 1_655 .
O2T K1 Ni1 145.1(3) 1_655 .
O2T K1 O1 115.1(4) 1_655 .
O2T K1 O1T 160.3(4) 1_655 .
O2T K1 O7M 136.4(4) 1_655 .
O2T K1 O10B 83.6(4) 1_655 .
O2T K1 O17W 75.4(4) 1_655 .
O2T K1 O18W 90.5(4) 1_655 .
O2T K1 O78 90.9(4) 1_655 .
O2T K1 O110 134.7(3) 1_655 .
O2T K1 O810 114.0(4) 1_655 .
O7M K1 W10 100.5(3) . .
O7M K1 Ni1 32.4(3) . .
O7M K1 O1 61.1(3) . .
O7M K1 O1T 55.9(3) . .
O7M K1 O10B 128.5(4) . .
O7M K1 O17W 69.2(4) . .
O7M K1 O18W 112.0(4) . .
O7M K1 O78 56.5(4) . .
O7M K1 O110 84.9(3) . .
O7M K1 O810 73.4(3) . .
O10B K1 W10 28.0(2) . .
O10B K1 Ni1 130.2(3) . .
O10B K1 O1 140.9(4) . .
O10B K1 O1T 98.1(3) . .
O10B K1 O17W 159.0(4) . .
O10B K1 O78 103.9(4) . .
O10B K1 O110 51.4(3) . .
O10B K1 O810 58.6(3) . .
O17W K1 W10 162.2(3) . .
O17W K1 Ni1 70.7(3) . .
O17W K1 O1 53.8(4) . .
O17W K1 O1T 102.1(4) . .
O17W K1 O78 75.5(4) . .
O17W K1 O110 149.6(4) . .
O18W K1 W10 110.2(3) . .
O18W K1 Ni1 79.9(3) . .
O18W K1 O1 54.1(4) . .
O18W K1 O1T 69.8(4) . .
O18W K1 O10B 94.2(4) . .
O18W K1 O17W 87.4(4) . .
O18W K1 O78 161.9(4) . .
O18W K1 O110 87.7(4) . .
O18W K1 O810 138.6(4) . .
O78 K1 W10 86.7(3) . .
O78 K1 Ni1 88.8(3) . .
O78 K1 O1 109.5(3) . .
O78 K1 O1T 107.6(3) . .
O78 K1 O110 104.0(3) . .
O110 K1 W10 35.1(2) . .
O110 K1 Ni1 78.8(2) . .
O810 K1 W10 33.2(2) . .
O810 K1 Ni1 94.3(2) . .
O810 K1 O1 128.7(3) . .
O810 K1 O1T 82.9(3) . .
O810 K1 O17W 129.6(4) . .
O810 K1 O78 55.7(3) . .
O810 K1 O110 51.2(3) . .
W5 K2 W4 51.96(8) 2_677 2_677
W10 K2 W5 96.29(14) . 2_677
W10 K2 W4 56.24(9) . 2_677
O1L K2 W5 79.1(3) 2_677 2_677
O1L K2 W4 128.3(3) 2_677 2_677
O1L K2 W10 125.4(3) 2_677 .
O1L K2 Na2 53.6(3) 2_677 .
Na2 K2 W5 123.4(2) . 2_677
Na2 K2 W4 168.0(2) . 2_677
Na2 K2 W10 134.5(2) . .
O5M K2 W5 26.1(3) 2_677 2_677
O5M K2 W4 67.9(3) 2_677 2_677
O5M K2 W10 92.7(3) 2_677 .
O5M K2 O1L 60.4(4) 2_677 2_677
O5M K2 Na2 112.8(3) 2_677 .
O5M K2 O10A 119.2(4) 2_677 .
O5M K2 O12W 106.8(4) 2_677 .
O5M K2 O45 55.9(3) 2_677 2_677
O5M K2 O410 68.8(4) 2_677 2_677
O10A K2 W5 121.1(3) . 2_677
O10A K2 W4 73.7(3) . 2_677
O10A K2 W10 26.6(3) . .
O10A K2 O1L 133.8(4) . 2_677
O10A K2 Na2 114.2(3) . .
O10A K2 O12W 133.2(5) . .
O10A K2 O45 102.6(4) . 2_677
O10A K2 O410 54.9(4) . 2_677
O11W K2 W5 113.5(5) . 2_677
O11W K2 W4 80.6(5) . 2_677
O11W K2 W10 90.1(5) . .
O11W K2 O1L 142.0(6) . 2_677
O11W K2 Na2 92.9(5) . .
O11W K2 O5M 139.5(6) . 2_677
O11W K2 O10A 72.2(5) . .
O11W K2 O12W 67.3(6) . .
O11W K2 O45 84.2(5) . 2_677
O11W K2 O410 96.2(5) . 2_677
O12W K2 W5 96.3(4) . 2_677
O12W K2 W4 120.0(4) . 2_677
O12W K2 W10 157.1(4) . .
O12W K2 O1L 75.9(4) . 2_677
O12W K2 Na2 47.9(4) . .
O13W K2 W5 147.4(4) . 2_677
O13W K2 W4 150.3(4) . 2_677
O13W K2 W10 94.3(4) . .
O13W K2 O1L 69.7(4) . 2_677
O13W K2 Na2 40.3(4) . .
O13W K2 O5M 122.8(5) . 2_677
O13W K2 O10A 77.4(4) . .
O13W K2 O11W 97.2(6) . .
O13W K2 O12W 85.2(5) . .
O13W K2 O45 178.6(5) . 2_677
O13W K2 O410 122.9(4) . 2_677
O45 K2 W5 31.4(2) 2_677 2_677
O45 K2 W4 29.5(2) 2_677 2_677
O45 K2 W10 85.3(3) 2_677 .
O45 K2 O1L 109.5(4) 2_677 2_677
O45 K2 Na2 140.3(3) 2_677 .
O45 K2 O12W 95.7(4) 2_677 .
O410 K2 W5 66.4(3) 2_677 2_677
O410 K2 W4 29.9(2) 2_677 2_677
O410 K2 W10 30.6(2) 2_677 .
O410 K2 O1L 121.2(4) 2_677 2_677
O410 K2 Na2 162.1(3) 2_677 .
O410 K2 O12W 149.9(5) 2_677 .
O410 K2 O45 56.4(3) 2_677 2_677
W3 K3 W9 56.4(2) . .
W3 K3 Na1 153.9(5) . 2_576
W3 K3 Na2 103.2(4) . 2_567
W3 K3 Na4 65.3(3) . 1_545
W9 K3 Na1 102.4(4) . 2_576
W9 K3 Na4 95.3(4) . 1_545
O2L K3 W3 133.2(6) 1_445 .
O2L K3 W9 164.1(7) 1_445 .
O2L K3 Na1 71.4(4) 1_445 2_576
O2L K3 Na2 38.6(4) 1_445 2_567
O2L K3 Na4 81.1(5) 1_445 1_545
O2L K3 O14W 62.9(5) 1_445 2_567
O2L K3 O23 117.4(6) 1_445 .
O2L K3 O26 131.9(7) 1_445 .
Na2 K3 W9 156.8(5) 2_567 .
Na2 K3 Na1 93.7(4) 2_567 2_576
Na2 K3 Na4 83.6(4) 2_567 1_545
Na4 K3 Na1 137.4(5) 1_545 2_576
O2W K3 W3 148.1(6) 2_576 .
O2W K3 W9 93.4(5) 2_576 .
O2W K3 O2L 74.0(6) 2_576 1_445
O2W K3 Na1 28.8(4) 2_576 2_576
O2W K3 Na2 108.4(6) 2_576 2_567
O2W K3 Na4 112.8(7) 2_576 1_545
O2W K3 O8W 91.0(9) 2_576 1_545
O2W K3 O14W 101.0(7) 2_576 2_567
O2W K3 O23 164.5(8) 2_576 .
O2W K3 O39 120.1(7) 2_576 .
O2W K3 O26 118.0(7) 2_576 .
O8W K3 W3 74.6(7) 1_545 .
O8W K3 W9 79.4(7) 1_545 .
O8W K3 O2L 90.8(8) 1_545 1_445
O8W K3 Na1 119.4(8) 1_545 2_576
O8W K3 Na2 107.2(8) 1_545 2_567
O8W K3 Na4 27.8(7) 1_545 1_545
O8W K3 O14W 146.0(9) 1_545 2_567
O8W K3 O23 98.9(8) 1_545 .
O8W K3 O39 76.8(8) 1_545 .
O8W K3 O26 132.0(8) 1_545 .
O14W K3 W3 106.9(5) 2_567 .
O14W K3 W9 130.7(6) 2_567 .
O14W K3 Na1 74.4(4) 2_567 2_576
O14W K3 Na2 38.8(3) 2_567 2_567
O14W K3 Na4 120.7(5) 2_567 1_545
O14W K3 O26 69.0(5) 2_567 .
O23 K3 W3 29.5(3) . .
O23 K3 W9 76.9(4) . .
O23 K3 Na1 141.1(6) . 2_576
O23 K3 Na2 80.1(4) . 2_567
O23 K3 Na4 80.4(5) . 1_545
O23 K3 O14W 77.3(5) . 2_567
O23 K3 O26 46.8(4) . .
O39 K3 W3 29.4(3) . .
O39 K3 W9 27.0(3) . .
O39 K3 O2L 160.8(8) . 1_445
O39 K3 Na1 127.4(5) . 2_576
O39 K3 Na2 131.4(6) . 2_567
O39 K3 Na4 81.3(5) . 1_545
O39 K3 O14W 121.5(7) . 2_567
O39 K3 O23 51.9(4) . .
O39 K3 O26 55.9(4) . .
O26 K3 W3 60.5(3) . .
O26 K3 W9 62.6(3) . .
O26 K3 Na1 97.6(5) . 2_576
O26 K3 Na2 99.1(5) . 2_567
O26 K3 Na4 124.9(5) . 1_545
Na3 Na1 K3 101.4(3) . 2_576
O1W Na1 K3 97.0(5) . 2_576
O1W Na1 Na3 96.8(5) . .
O1W Na1 O4W 168.1(7) . .
O2W Na1 K3 34.5(5) . 2_576
O2W Na1 Na3 135.9(6) . .
O2W Na1 O1W 91.3(7) . .
O2W Na1 O3W 94.1(6) . .
O2W Na1 O4W 84.8(6) . .
O2W Na1 O5W 175.4(7) . .
O2W Na1 O9T 85.9(6) . 1_565
O3W Na1 K3 59.7(4) . 2_576
O3W Na1 Na3 42.2(4) . .
O3W Na1 O1W 94.9(6) . .
O3W Na1 O4W 74.2(5) . .
O3W Na1 O5W 85.5(5) . .
O4W Na1 K3 73.5(4) . 2_576
O4W Na1 Na3 78.4(4) . .
O5W Na1 K3 145.1(5) . 2_576
O5W Na1 Na3 44.3(4) . .
O5W Na1 O1W 84.1(6) . .
O5W Na1 O4W 99.4(6) . .
O9T Na1 K3 118.7(5) 1_565 2_576
O9T Na1 Na3 135.3(4) 1_565 .
O9T Na1 O1W 97.1(6) 1_565 .
O9T Na1 O3W 168.0(6) 1_565 .
O9T Na1 O4W 93.9(5) 1_565 .
O9T Na1 O5W 95.5(5) 1_565 .
O2L Na2 C6 22.0(5) 2_677 2_677
O2L Na2 K2 86.8(5) 2_677 .
O2L Na2 K3 49.5(5) 2_677 2_567
O2L Na2 Na5 155.5(6) 2_677 1_545
O2L Na2 O8T 149.9(6) 2_677 2_667
O2L Na2 O12W 71.6(6) 2_677 .
O2L Na2 O14W 84.5(6) 2_677 .
C6 Na2 K2 68.6(4) 2_677 .
C6 Na2 K3 65.1(5) 2_677 2_567
C6 Na2 Na5 133.8(5) 2_677 1_545
K2 Na2 K3 133.6(4) . 2_567
K2 Na2 Na5 75.9(3) . 1_545
K3 Na2 Na5 137.6(4) 2_567 1_545
O8T Na2 C6 151.4(6) 2_667 2_677
O8T Na2 K2 88.0(4) 2_667 .
O8T Na2 K3 137.2(5) 2_667 2_567
O8T Na2 Na5 48.1(4) 2_667 1_545
O8T Na2 O12W 81.4(5) 2_667 .
O8T Na2 O14W 82.8(5) 2_667 .
O12W Na2 C6 71.6(5) . 2_677
O12W Na2 K2 54.0(4) . .
O12W Na2 K3 112.5(5) . 2_567
O12W Na2 Na5 109.8(5) . 1_545
O13W Na2 O2L 121.0(7) . 2_677
O13W Na2 C6 99.0(6) . 2_677
O13W Na2 K2 48.8(4) . .
O13W Na2 K3 136.0(6) . 2_567
O13W Na2 Na5 34.9(5) . 1_545
O13W Na2 O8T 75.5(5) . 2_667
O13W Na2 O12W 98.9(6) . .
O13W Na2 O14W 154.4(7) . .
O13W Na2 O15W 82.3(6) . .
O14W Na2 C6 106.5(6) . 2_677
O14W Na2 K2 144.9(5) . .
O14W Na2 K3 57.7(5) . 2_567
O14W Na2 Na5 119.5(5) . 1_545
O14W Na2 O12W 91.0(6) . .
O15W Na2 O2L 103.2(6) . 2_677
O15W Na2 C6 103.0(6) . 2_677
O15W Na2 K2 125.1(5) . .
O15W Na2 K3 63.8(5) . 2_567
O15W Na2 Na5 74.2(5) . 1_545
O15W Na2 O8T 104.0(6) . 2_667
O15W Na2 O12W 174.6(7) . .
O15W Na2 O14W 90.0(6) . .
O3W Na3 Na1 43.1(4) . .
O3W Na3 O7T 96.9(5) . 2_676
O3W Na3 O5W 85.6(5) . .
O3W Na3 O7W 83.1(5) . .
O7T Na3 Na1 138.0(4) 2_676 .
O7T Na3 O5W 175.1(6) 2_676 .
O7T Na3 O7W 81.0(5) 2_676 .
O5W Na3 Na1 43.5(4) . .
O6W Na3 Na1 81.1(4) . .
O6W Na3 O3W 89.2(5) . .
O6W Na3 O7T 87.3(5) . 2_676
O6W Na3 O5W 88.6(6) . .
O6W Na3 O5T 103.4(5) . .
O6W Na3 O7W 165.1(6) . .
O5T Na3 Na1 124.7(4) . .
O5T Na3 O3W 161.4(6) . .
O5T Na3 O7T 97.2(5) . 2_676
O5T Na3 O5W 81.2(5) . .
O5T Na3 O7W 87.3(5) . .
O7W Na3 Na1 101.5(4) . .
O7W Na3 O5W 103.5(5) . .
Na5 Na4 K3 102.4(5) . 1_565
O3T Na4 K3 59.7(4) 1_565 1_565
O3T Na4 Na5 45.7(5) 1_565 .
O4T Na4 K3 120.7(6) . 1_565
O4T Na4 Na5 93.4(6) . .
O4T Na4 O3T 127.6(7) . 1_565
O8W Na4 K3 35.1(8) . 1_565
O8W Na4 Na5 100.1(10) . .
O8W Na4 O3T 74.3(9) . 1_565
O8W Na4 O4T 86.2(10) . .
O8W Na4 O9W 109.4(11) . .
O9W Na4 K3 77.7(6) . 1_565
O9W Na4 Na5 117.2(8) . .
O9W Na4 O3T 91.2(7) . 1_565
O9W Na4 O4T 141.1(9) . .
O10W Na4 K3 128.7(8) . 1_565
O10W Na4 Na5 40.8(6) . .
O10W Na4 O3T 71.1(7) . 1_565
O10W Na4 O4T 99.7(9) . .
O10W Na4 O8W 140.4(12) . .
O10W Na4 O9W 90.4(9) . .
W3 Na5 K2 111.8(4) 1_565 2_677
W3 Na5 Na2 99.1(4) 1_565 1_565
K2 Na5 Na2 149.1(5) 2_677 1_565
Na4 Na5 W3 76.0(4) . 1_565
Na4 Na5 K2 86.7(5) . 2_677
Na4 Na5 Na2 102.8(5) . 1_565
Na5 Na5 W3 104.6(7) 2_687 1_565
Na5 Na5 K2 76.8(6) 2_687 2_677
Na5 Na5 Na2 94.4(6) 2_687 1_565
Na5 Na5 Na4 162.5(9) 2_687 .
O3T Na5 W3 25.9(3) 1_565 1_565
O3T Na5 K2 110.2(6) 1_565 2_677
O3T Na5 Na2 98.1(6) 1_565 1_565
O3T Na5 Na4 50.7(5) 1_565 .
O3T Na5 Na5 130.3(9) 1_565 2_687
O3T Na5 O11W 67.8(7) 1_565 2_677
O10A Na5 W3 153.2(7) 2_677 1_565
O10A Na5 K2 44.2(4) 2_677 2_677
O10A Na5 Na2 105.9(6) 2_677 1_565
O10A Na5 Na4 88.9(7) 2_677 .
O10A Na5 Na5 83.3(7) 2_677 2_687
O10A Na5 O3T 137.0(9) 2_677 1_565
O10A Na5 O10W 83.3(8) 2_677 .
O10A Na5 O11W 80.9(8) 2_677 2_677
O10A Na5 O13W 132.9(9) 2_677 1_565
O10W Na5 W3 96.2(7) . 1_565
O10W Na5 K2 106.3(7) . 2_677
O10W Na5 Na2 70.6(6) . 1_565
O10W Na5 Na4 35.7(6) . .
O10W Na5 Na5 156.3(10) . 2_687
O10W Na5 O3T 71.6(7) . 1_565
O10W Na5 O11W 95.4(9) . 2_677
O10W Na5 O13W 92.1(8) . 1_565
O11W Na5 W3 72.5(6) 2_677 1_565
O11W Na5 K2 42.6(5) 2_677 2_677
O11W Na5 Na2 163.2(7) 2_677 1_565
O11W Na5 Na4 61.4(6) 2_677 .
O11W Na5 Na5 101.7(9) 2_677 2_687
O13W Na5 W3 73.8(5) 1_565 1_565
O13W Na5 K2 159.6(7) 1_565 2_677
O13W Na5 Na2 31.6(4) 1_565 1_565
O13W Na5 Na4 113.7(7) 1_565 .
O13W Na5 Na5 82.8(7) 1_565 2_687
O13W Na5 O3T 83.5(7) 1_565 1_565
O13W Na5 O11W 146.1(9) 1_565 2_677
Ni1 O1 K1 86.2(4) . .
W4 O46 W6 115.0(6) . .
W1 O1S W3 95.4(4) 2_677 .
W1 O1S W2 95.5(4) 2_677 .
W3 O1S W2 91.2(4) . .
Sb1 O1S W1 109.2(5) . 2_677
Sb1 O1S W3 130.0(6) . .
Sb1 O1S W2 127.1(5) . .
W1 O1T Ni1 170.4(7) . .
W1 O1T K1 101.3(5) . .
Ni1 O1T K1 81.9(4) . .
W8 O3S W9 91.7(4) . .
W7 O3S W8 94.9(4) . .
W7 O3S W9 96.1(4) . .
Sb1 O3S W8 114.2(5) . .
Sb1 O3S W7 111.2(5) . .
Sb1 O3S W9 139.5(5) . .
W3 O3T Na4 159.0(7) . 1_545
W3 O3T Na5 112.5(7) . 1_545
Na5 O3T Na4 83.7(6) 1_545 1_545
Na1 O2W K3 116.6(8) . 2_576
W5 O2S W4 93.8(4) . .
W5 O2S W6 96.0(4) . .
W4 O2S W6 92.5(4) . .
Sb1 O2S W5 111.9(5) . .
Sb1 O2S W4 116.5(5) . .
Sb1 O2S W6 136.9(6) . .
W2 O2T K1 138.2(6) . 1_455
Na3 O3W Na1 94.7(5) . .
W8 O8T Na2 137.9(7) . 2_667
W7 O7M Ni1 138.2(6) . .
W7 O7M K1 114.9(5) . .
Ni1 O7M K1 102.5(5) . .
W7 O7T Na3 142.6(7) . 2_676
Na1 O5W Na3 92.2(6) . .
W9 O9T Na1 166.7(7) . 1_545
W5 O5M Ni1 137.0(7) . .
W5 O5M K2 110.3(5) . 2_677
Ni1 O5M K2 103.4(5) . 2_677
W5 O5T Na3 139.3(7) . .
W4 O4T Na4 167.5(8) . .
Na4 O8W K3 117.1(13) . 1_565
W10 O10A K2 105.1(6) . .
W10 O10A Na5 144.6(8) . 2_677
Na5 O10A K2 101.4(6) 2_677 .
W10 O10B K1 104.2(5) . .
Na4 O10W Na5 103.5(9) . .
K2 O11W Na5 94.8(8) . 2_677
W3 O13 W1 118.3(6) . 2_677
Na2 O12W K2 78.1(5) . .
W2 O12 W1 119.3(6) . 2_677
Na2 O13W K2 90.9(6) . .
Na2 O13W Na5 113.6(8) . 1_545
Na5 O13W K2 128.8(7) 1_545 .
Na2 O14W K3 83.5(6) . 2_567
W3 O23 W2 118.4(6) . .
W3 O23 K3 99.4(5) . .
W2 O23 K3 117.3(6) . .
W3 O38 W8 145.2(6) . .
W3 O39 K3 103.4(6) . .
W9 O39 W3 147.7(7) . .
W9 O39 K3 108.5(6) . .
W2 O24 W4 146.2(7) . .
W2 O26 K3 104.4(5) . .
W6 O26 W2 147.1(7) . .
W6 O26 K3 108.3(5) . .
W8 O78 W7 116.6(6) . .
W8 O78 K1 98.2(5) . .
W7 O78 K1 96.0(5) . .
W8 O89 W9 115.1(6) . .
W9 O79 W7 119.4(6) . .
W7 O57 W5 144.3(7) . .
W6 O69 W9 155.4(7) . .
W5 O45 K2 97.7(4) . 2_677
W4 O45 W5 117.2(6) . .
W4 O45 K2 100.2(5) . 2_677
W6 O56 W5 119.7(5) . .
W1 O101 W10 178.4(7) . 2_677
W1 O110 W10 175.7(7) . .
W1 O110 K1 98.3(4) . .
W10 O110 K1 78.0(3) . .
W8 O810 W10 133.7(6) . .
W8 O810 K1 106.1(5) . .
W10 O810 K1 95.7(4) . .
W4 O410 W10 134.0(6) . 2_677
W4 O410 K2 101.2(5) . 2_677
W10 O410 K2 99.4(5) 2_677 2_677
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 K1 4.087(4) .
W1 O1S 2.245(11) 2_677
W1 O1T 1.743(12) .
W1 O13 2.023(12) 2_677
W1 O12 2.083(11) 2_677
W1 O101 1.790(11) .
W1 O110 1.807(12) .
W3 K3 3.879(15) .
W3 Na5 3.634(17) 1_545
W3 O1S 2.324(12) .
W3 O3T 1.721(13) .
W3 O13 1.914(12) .
W3 O23 1.937(11) .
W3 O38 1.892(11) .
W3 O39 1.960(12) .
W2 K1 4.110(4) 1_455
W2 O1S 2.353(11) .
W2 O2T 1.723(12) .
W2 O12 1.859(11) .
W2 O23 1.951(12) .
W2 O24 1.887(12) .
W2 O26 1.968(12) .
W8 K1 3.808(4) .
W8 O3S 2.281(11) .
W8 O8T 1.720(12) .
W8 O38 1.952(11) .
W8 O78 1.906(13) .
W8 O89 1.945(12) .
W8 O810 1.871(12) .
W7 K1 3.816(4) .
W7 O3S 2.256(11) .
W7 O7M 1.818(12) .
W7 O7T 1.738(12) .
W7 O78 2.019(13) .
W7 O79 2.059(12) .
W7 O57 1.901(11) .
W9 K3 3.956(15) .
W9 O3S 2.318(11) .
W9 O9T 1.703(13) .
W9 O39 1.894(12) .
W9 O89 1.964(11) .
W9 O79 1.879(12) .
W9 O69 1.924(12) .
W5 K2 3.787(6) 2_677
W5 O2S 2.263(12) .
W5 O5M 1.779(12) .
W5 O5T 1.723(12) .
W5 O57 1.922(12) .
W5 O45 1.993(11) .
W5 O56 2.046(11) .
W4 K2 3.788(6) 2_677
W4 O46 1.908(12) .
W4 O2S 2.279(12) .
W4 O4T 1.708(12) .
W4 O24 1.948(12) .
W4 O45 1.893(11) .
W4 O410 1.927(12) .
W6 O46 2.017(12) .
W6 O2S 2.304(12) .
W6 O6T 1.730(12) .
W6 O26 1.888(12) .
W6 O69 1.857(12) .
W6 O56 1.880(11) .
W10 K1 3.629(4) .
W10 K2 3.744(6) .
W10 O10A 1.738(13) .
W10 O10B 1.760(12) .
W10 O101 2.148(11) 2_677
W10 O110 2.132(12) .
W10 O810 1.996(11) .
W10 O410 1.930(12) 2_677
Sb1 O1S 1.998(12) .
Sb1 O3S 2.024(11) .
Sb1 O2S 2.000(11) .
Ni1 O1L 2.049(13) .
Ni1 N2 2.028(16) .
Ni1 K1 3.690(4) .
Ni1 K2 3.823(6) 2_677
Ni1 O1 2.091(13) .
Ni1 O1T 2.047(12) .
Ni1 O7M 2.028(12) .
Ni1 O5M 2.057(12) .
O1L C6 1.29(2) .
O1L K2 3.131(13) 2_677
O2L C6 1.24(2) .
O2L K3 2.96(2) 1_665
O2L Na2 2.432(18) 2_677
N1 N2 1.37(2) .
N1 C5 1.37(2) .
N2 C3 1.33(3) .
C3 C4 1.41(3) .
C3 C6 1.46(3) .
C4 C5 1.37(3) .
C6 Na2 3.10(2) 2_677
K1 O1 3.182(14) .
K1 O1T 3.371(12) .
K1 O2T 2.661(13) 1_655
K1 O7M 2.676(12) .
K1 O10B 2.771(12) .
K1 O17W 2.861(14) .
K1 O18W 2.738(15) .
K1 O78 3.034(14) .
K1 O110 3.415(12) .
K1 O810 2.838(12) .
K2 W5 3.787(6) 2_677
K2 W4 3.788(6) 2_677
K2 O1L 3.131(13) 2_677
K2 Na2 3.614(11) .
K2 O5M 2.782(14) 2_677
K2 O10A 2.893(14) .
K2 O11W 2.76(2) .
K2 O12W 2.987(18) .
K2 O13W 2.718(17) .
K2 O45 2.963(13) 2_677
K2 O410 2.909(13) 2_677
K3 O2L 2.96(2) 1_445
K3 Na1 4.408(18) 2_576
K3 Na2 3.894(18) 2_567
K3 Na4 4.37(2) 1_545
K3 O2W 2.80(2) 2_576
K3 O8W 2.82(4) 1_545
K3 O14W 3.31(2) 2_567
K3 O23 3.06(2) .
K3 O39 2.925(19) .
K3 O26 3.39(2) .
Na1 K3 4.408(18) 2_576
Na1 Na3 3.547(11) .
Na1 O1W 2.471(19) .
Na1 O2W 2.38(2) .
Na1 O3W 2.433(16) .
Na1 O4W 2.575(18) .
Na1 O5W 2.445(17) .
Na1 O9T 2.422(15) 1_565
Na2 O2L 2.432(18) 2_677
Na2 C6 3.10(2) 2_677
Na2 K3 3.894(18) 2_567
Na2 Na5 4.09(2) 1_545
Na2 O8T 2.450(15) 2_667
Na2 O12W 2.741(19) .
Na2 O13W 2.337(17) .
Na2 O14W 2.457(18) .
Na2 O15W 2.365(19) .
Na3 O3W 2.390(15) .
Na3 O7T 2.412(14) 2_676
Na3 O5W 2.480(17) .
Na3 O6W 2.343(16) .
Na3 O5T 2.344(14) .
Na3 O7W 2.464(15) .
Na4 K3 4.37(2) 1_565
Na4 Na5 3.63(2) .
Na4 O3T 2.82(2) 1_565
Na4 O4T 2.47(2) .
Na4 O8W 2.29(3) .
Na4 O9W 2.39(2) .
Na4 O10W 2.17(3) .
Na5 W3 3.634(17) 1_565
Na5 K2 4.067(19) 2_677
Na5 Na2 4.09(2) 1_565
Na5 Na5 3.56(3) 2_687
Na5 O3T 2.61(2) 1_565
Na5 O10A 2.34(2) 2_677
Na5 O10W 2.44(3) .
Na5 O11W 2.77(3) 2_677
Na5 O13W 2.55(2) 1_565
O1S W1 2.245(11) 2_677
O3T Na4 2.82(2) 1_545
O3T Na5 2.61(2) 1_545
O2W K3 2.80(2) 2_576
O2T K1 2.661(13) 1_455
O8T Na2 2.450(15) 2_667
O7T Na3 2.412(14) 2_676
O9T Na1 2.422(15) 1_545
O5M K2 2.782(14) 2_677
O8W K3 2.82(4) 1_565
O10A Na5 2.34(2) 2_677
O11W Na5 2.77(3) 2_677
O13 W1 2.023(12) 2_677
O12 W1 2.083(11) 2_677
O13W Na5 2.55(2) 1_545
O14W K3 3.31(2) 2_567
O45 K2 2.963(13) 2_677
O101 W10 2.148(11) 2_677
O410 W10 1.930(12) 2_677
O410 K2 2.909(13) 2_677
