#------------------------------------------------------------------------------
#$Date: 2016-03-22 11:25:03 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178898 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/27/4112785.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_4112785
loop_
_publ_author_name
'Emmanuel Cadot'
'Marie-José Pouet'
'Chantal Robert-Labarre'
'Charlotte du Peloux'
'Jérôme Marrot'
'Francis Sécheresse'
_publ_contact_author
; 
      Pr E. Cadot
      Institut Lavoisier, IREM, UMR CNRS 8637
      Université de Versailles Saint-Quentin-en-Yvelines
      45 Avenue des Etats Unis
      78035 Versailles cedex
      France
;
_publ_contact_author_email       cadot@chimie.uvsq.fr
_publ_contact_author_fax         '(33) 1 39 25 43 81'
_publ_contact_author_phone       '(33) 1 39 25 43 82'
_publ_section_title
;
 Polyphosphate Ions Encapsulated in Oxothiomolybdate Rings: Synthesis,
 Structure, and Behavior in Solution
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9127
_journal_page_last               9134
_journal_paper_doi               10.1021/ja048746a
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'H63 K6 Mo12 O60 P3 S12'
_chemical_formula_weight         2887.01
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           36
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.1863(2)
_cell_length_b                   26.3305(3)
_cell_length_c                   29.6214(2)
_cell_measurement_reflns_used    24738
_cell_measurement_temperature    296(2)
_cell_volume                     8724.71(19)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.925
_diffrn_measured_fraction_theta_max 0.925
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0320
_diffrn_reflns_av_sigmaI/netI    0.0432
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            30644
_diffrn_reflns_theta_full        29.94
_diffrn_reflns_theta_max         29.94
_diffrn_reflns_theta_min         1.37
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.380
_exptl_absorpt_correction_T_max  0.7167
_exptl_absorpt_correction_T_min  0.5876
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.198
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             5592
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.345
_refine_diff_density_min         -0.800
_refine_diff_density_rms         0.248
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00(11)
_refine_ls_extinction_coef       0.00027(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     551
_refine_ls_number_reflns         11617
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0562
_refine_ls_R_factor_gt           0.0465
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0802P)²+22.1651P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1269
_refine_ls_wR_factor_ref         0.1355
_reflns_number_gt                10160
_reflns_number_total             11617
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja048746asi20040304_114327_2.cif
_cod_data_source_block           2
_cod_database_code               4112785
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'x, -y, z+1/2'
'-x, y, z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'x+1/2, -y+1/2, z+1/2'
'-x+1/2, 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Mo1 Mo 0.5000 1.17124(3) 0.95454(3) 0.0379(2) Uani 1 2 d S
Mo2 Mo 0.5000 1.25388(3) 0.89232(3) 0.03681(19) Uani 1 2 d S
Mo3 Mo 0.5000 1.32696(3) 0.79696(3) 0.03806(19) Uani 1 2 d S
Mo4 Mo 0.5000 1.37990(3) 0.71321(3) 0.0381(2) Uani 1 2 d S
Mo5 Mo 0.5000 1.37235(3) 0.60286(3) 0.0383(2) Uani 1 2 d S
Mo6 Mo 0.5000 1.29098(4) 0.53974(3) 0.0388(2) Uani 1 2 d S
Mo7 Mo 0.5000 1.16903(3) 0.55416(3) 0.03649(19) Uani 1 2 d S
Mo8 Mo 0.5000 1.08491(3) 0.61332(3) 0.0366(2) Uani 1 2 d S
Mo9 Mo 0.5000 0.98971(3) 0.69042(3) 0.03639(19) Uani 1 2 d S
Mo10 Mo 0.5000 0.93103(3) 0.77106(3) 0.03647(18) Uani 1 2 d S
Mo11 Mo 0.5000 0.96755(3) 0.87627(3) 0.03590(19) Uani 1 2 d S
Mo12 Mo 0.5000 1.04930(3) 0.93862(3) 0.03443(18) Uani 1 2 d S
S1 S 0.66431(18) 1.21024(8) 0.92165(8) 0.0468(4) Uani 1 1 d .
S2 S 0.66157(18) 1.34272(9) 0.74941(8) 0.0473(4) Uani 1 1 d .
S3 S 0.66418(19) 1.32949(8) 0.57300(8) 0.0465(4) Uani 1 1 d .
S4 S 0.6621(2) 1.13502(8) 0.59237(7) 0.0491(5) Uani 1 1 d .
S5 S 0.33678(19) 0.96207(9) 0.73186(7) 0.0495(5) Uani 1 1 d .
S6 S 0.66231(17) 1.01615(7) 0.90015(6) 0.0400(4) Uani 1 1 d .
P1 P 0.4746(4) 1.25469(14) 0.65267(12) 0.0367(14) Uani 0.50 1 d P
P2 P 0.5490(4) 1.13604(13) 0.84451(12) 0.0360(7) Uani 0.50 1 d P
P3 P 0.5725(4) 1.05678(13) 0.78617(11) 0.0360(7) Uani 0.50 1 d P
O1 O 0.5000 1.1984(3) 1.0066(3) 0.058(2) Uani 1 2 d S
O2 O 0.5000 1.3048(3) 0.9265(3) 0.058(2) Uani 1 2 d S
O3 O 0.5000 1.3793(3) 0.8294(3) 0.059(2) Uani 1 2 d S
O4 O 0.5000 1.4389(3) 0.7364(3) 0.054(2) Uani 1 2 d S
O5 O 0.5000 1.4253(4) 0.5715(3) 0.057(2) Uani 1 2 d S
O6 O 0.5000 1.3175(3) 0.4879(3) 0.050(2) Uani 1 2 d S
O7 O 0.5000 1.1340(3) 0.5064(3) 0.052(2) Uani 1 2 d S
O8 O 0.5000 1.0397(4) 0.5727(3) 0.053(2) Uani 1 2 d S
O9 O 0.5000 0.9456(3) 0.6494(3) 0.058(2) Uani 1 2 d S
O10 O 0.5000 0.8708(3) 0.7541(3) 0.059(2) Uani 1 2 d S
O11 O 0.5000 0.9208(3) 0.9152(3) 0.051(2) Uani 1 2 d S
O12 O 0.5000 1.0122(3) 0.9854(3) 0.050(2) Uani 1 2 d S
O13 O 0.6110(5) 1.2850(2) 0.84135(18) 0.0436(12) Uani 1 1 d .
O14 O 0.6093(5) 1.39738(19) 0.65638(19) 0.0418(11) Uani 1 1 d .
O15 O 0.6074(5) 1.2273(2) 0.52680(18) 0.0447(12) Uani 1 1 d .
O16 O 0.6106(6) 1.0419(2) 0.65633(19) 0.0475(13) Uani 1 1 d .
O17 O 0.3910(5) 0.92802(19) 0.82835(17) 0.0406(11) Uani 1 1 d .
O18 O 0.6080(5) 1.1076(2) 0.96731(16) 0.0423(12) Uani 1 1 d .
O19 O 0.5000 1.1918(3) 0.8395(2) 0.0437(18) Uani 1 2 d S
O20 O 0.5000 1.2471(3) 0.7681(3) 0.060(2) Uani 1 2 d S
O21 O 0.5000 1.3104(3) 0.6581(3) 0.0398(16) Uani 1 2 d S
O22 O 0.5000 1.2380(3) 0.6037(3) 0.0414(16) Uani 1 2 d S
O23 O 0.5000 1.1292(4) 0.6779(3) 0.085(4) Uani 1 2 d S
O24 O 0.4761(14) 1.0583(3) 0.7377(3) 0.038(5) Uani 0.50 1 d P
O25 O 0.5000 1.0136(3) 0.8114(3) 0.0449(18) Uani 1 2 d S
O26 O 0.5000 1.1165(3) 0.8896(2) 0.0357(15) Uani 1 2 d S
O27 O 0.5493(13) 1.2229(4) 0.6852(4) 0.056(4) Uani 0.50 1 d P
O28 O 0.6621(15) 1.2445(6) 0.6639(6) 0.077(5) Uani 0.50 1 d P
O29 O 0.6807(14) 1.1266(6) 0.8364(6) 0.078(5) Uani 0.50 1 d P
O30 O 0.7103(13) 1.0575(6) 0.7905(5) 0.056(3) Uani 0.50 1 d P
O31 O 0.5358(11) 1.1082(3) 0.8069(4) 0.049(4) Uani 0.50 1 d P
K1 K 0.8386(7) 0.3559(4) 0.6616(4) 0.129(3) Uani 0.50 1 d P
K2 K 0.6051(12) 0.0690(4) 0.0605(2) 0.155(4) Uani 0.50 1 d P
K3 K 0.1630(7) 0.9683(4) 0.8216(3) 0.122(3) Uani 0.50 1 d P
K4 K 0.6853(4) 0.9380(2) 0.9935(2) 0.092(2) Uani 0.50 1 d P
K5 K 0.5000 0.7668(5) 0.8003(6) 0.142(5) Uani 0.50 2 d SP
K6 K 0.8290(13) 0.3288(5) 0.8616(6) 0.238(10) Uani 0.50 1 d P
K7 K 0.862(2) 1.2498(8) 0.6342(8) 0.158(9) Uani 0.25 1 d P
O1W O 0.8467(8) 2.1024(4) 1.9513(7) 0.170(8) Uani 1 1 d .
O2W O 0.7998(12) 1.1299(5) 0.8472(4) 0.056(3) Uani 0.50 1 d P
O3W O 0.8466(9) 2.2234(5) 1.5381(7) 0.172(8) Uani 1 1 d .
O4W O 0.5000 0.2893(12) 0.3787(10) 0.183(10) Uani 1 2 d S
O5W O 0.7721(12) 2.2155(4) 1.8002(7) 0.176(8) Uani 1 1 d .
O6W O 0.5000 0.2049(9) 0.4315(8) 0.145(7) Uiso 1 2 d S
O7W O 0.7946(18) 2.0911(7) 1.7033(7) 0.183(7) Uiso 1 1 d .
O8W O 0.8139(17) 2.0043(8) 2.1208(6) 0.178(7) Uiso 1 1 d .
O9W O 1.0000 0.3359(13) 0.5981(8) 0.093(9) Uani 0.50 2 d SP
O10W O 1.0000 0.0350(18) 0.8752(17) 0.153(15) Uiso 0.50 2 d SP
O11W O 1.0000 0.1292(16) 0.7780(14) 0.130(12) Uiso 0.50 2 d SP
O12W O 1.0000 0.9437(8) 0.0826(13) 0.099(10) Uani 0.50 2 d SP
O13W O 0.3280(19) 0.1805(8) 0.4430(8) 0.100(6) Uiso 0.50 1 d P
O14W O 0.782(3) 2.1865(12) 1.6986(11) 0.159(11) Uiso 0.50 1 d P
O15W O 1.0000 -0.0318(16) 0.8942(16) 0.144(14) Uiso 0.50 2 d SP
O16W O 0.139(2) 0.0902(11) 0.4182(10) 0.134(9) Uiso 0.50 1 d P
O17W O 0.887(4) 2.0115(17) 1.9967(15) 0.207(16) Uiso 0.50 1 d P
O18W O 0.795(2) 1.0159(10) 1.0194(9) 0.124(8) Uiso 0.50 1 d P
O19W O 0.961(4) 0.8859(16) 0.0205(14) 0.114(15) Uiso 0.25 1 d P
O20W O 1.0000 2.154(2) 1.661(2) 0.20(2) Uiso 0.50 2 d SP
O21W O 1.0000 2.041(2) 1.729(2) 0.19(2) Uiso 0.50 2 d SP
O22W O 0.781(2) 1.0594(6) 0.7865(8) 0.104(8) Uani 0.50 1 d P
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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'
Mo Mo -1.6832 0.6857 '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
O1 Mo1 O18 99.9(3) . 4_655
O1 Mo1 O18 99.9(3) . .
O18 Mo1 O18 70.2(3) 4_655 .
O1 Mo1 S1 101.23(19) . 4_655
O18 Mo1 S1 88.46(17) 4_655 4_655
O18 Mo1 S1 152.20(16) . 4_655
O1 Mo1 S1 101.23(19) . .
O18 Mo1 S1 152.20(16) 4_655 .
O18 Mo1 S1 88.46(17) . .
S1 Mo1 S1 104.80(11) 4_655 .
O1 Mo1 O26 168.0(4) . .
O18 Mo1 O26 70.47(19) 4_655 .
O18 Mo1 O26 70.47(19) . .
S1 Mo1 O26 85.95(12) 4_655 .
S1 Mo1 O26 85.95(12) . .
O1 Mo1 Mo2 105.4(3) . .
O18 Mo1 Mo2 136.49(16) 4_655 .
O18 Mo1 Mo2 136.49(16) . .
S1 Mo1 Mo2 52.47(6) 4_655 .
S1 Mo1 Mo2 52.47(5) . .
O26 Mo1 Mo2 86.58(17) . .
O2 Mo2 O13 96.9(3) . .
O2 Mo2 O13 96.9(3) . 4_655
O13 Mo2 O13 71.8(3) . 4_655
O2 Mo2 O19 173.3(4) . .
O13 Mo2 O19 77.7(2) . .
O13 Mo2 O19 77.7(2) 4_655 .
O2 Mo2 S1 99.7(2) . 4_655
O13 Mo2 S1 156.39(17) . 4_655
O13 Mo2 S1 89.64(16) 4_655 4_655
O19 Mo2 S1 84.35(13) . 4_655
O2 Mo2 S1 99.7(2) . .
O13 Mo2 S1 89.64(16) . .
O13 Mo2 S1 156.39(17) 4_655 .
O19 Mo2 S1 84.35(13) . .
S1 Mo2 S1 103.83(11) 4_655 .
O2 Mo2 Mo1 102.7(3) . .
O13 Mo2 Mo1 139.04(15) . .
O13 Mo2 Mo1 139.04(15) 4_655 .
O19 Mo2 Mo1 84.00(18) . .
S1 Mo2 Mo1 51.98(6) 4_655 .
S1 Mo2 Mo1 51.99(6) . .
O3 Mo3 O13 94.2(3) . 4_655
O3 Mo3 O13 94.2(3) . .
O13 Mo3 O13 71.7(3) 4_655 .
O3 Mo3 O20 167.2(4) . .
O13 Mo3 O20 75.6(2) 4_655 .
O13 Mo3 O20 75.6(2) . .
O3 Mo3 S2 101.5(2) . .
O13 Mo3 S2 157.35(16) 4_655 .
O13 Mo3 S2 90.76(16) . .
O20 Mo3 S2 86.40(16) . .
O3 Mo3 S2 101.5(2) . 4_655
O13 Mo3 S2 90.76(16) 4_655 4_655
O13 Mo3 S2 157.35(17) . 4_655
O20 Mo3 S2 86.40(16) . 4_655
S2 Mo3 S2 101.82(11) . 4_655
O3 Mo3 Mo4 95.6(3) . .
O13 Mo3 Mo4 142.77(16) 4_655 .
O13 Mo3 Mo4 142.77(16) . .
O20 Mo3 Mo4 97.2(2) . .
S2 Mo3 Mo4 52.08(5) . .
S2 Mo3 Mo4 52.08(5) 4_655 .
O4 Mo4 O14 97.0(3) . .
O4 Mo4 O14 97.0(3) . 4_655
O14 Mo4 O14 70.0(3) . 4_655
O4 Mo4 S2 101.5(2) . 4_655
O14 Mo4 S2 154.67(16) . 4_655
O14 Mo4 S2 90.53(16) 4_655 4_655
O4 Mo4 S2 101.5(2) . .
O14 Mo4 S2 90.53(16) . .
O14 Mo4 S2 154.67(16) 4_655 .
S2 Mo4 S2 102.45(11) 4_655 .
O4 Mo4 O21 162.1(4) . .
O14 Mo4 O21 68.6(2) . .
O14 Mo4 O21 68.6(2) 4_655 .
S2 Mo4 O21 89.57(13) 4_655 .
S2 Mo4 O21 89.57(12) . .
O4 Mo4 Mo3 95.5(3) . .
O14 Mo4 Mo3 142.61(15) . .
O14 Mo4 Mo3 142.61(15) 4_655 .
S2 Mo4 Mo3 52.41(5) 4_655 .
S2 Mo4 Mo3 52.41(5) . .
O21 Mo4 Mo3 102.38(17) . .
O5 Mo5 O14 99.0(3) . 4_655
O5 Mo5 O14 99.0(3) . .
O14 Mo5 O14 70.9(3) 4_655 .
O5 Mo5 O21 168.5(4) . .
O14 Mo5 O21 71.8(2) 4_655 .
O14 Mo5 O21 71.8(2) . .
O5 Mo5 S3 101.1(2) . 4_655
O14 Mo5 S3 88.83(16) 4_655 4_655
O14 Mo5 S3 153.40(16) . 4_655
O21 Mo5 S3 85.81(14) . 4_655
O5 Mo5 S3 101.1(2) . .
O14 Mo5 S3 153.40(16) 4_655 .
O14 Mo5 S3 88.84(16) . .
O21 Mo5 S3 85.81(14) . .
S3 Mo5 S3 104.05(11) 4_655 .
O5 Mo5 Mo6 105.3(4) . .
O14 Mo5 Mo6 136.90(15) 4_655 .
O14 Mo5 Mo6 136.90(15) . .
O21 Mo5 Mo6 86.2(2) . .
S3 Mo5 Mo6 52.09(6) 4_655 .
S3 Mo5 Mo6 52.09(6) . .
O6 Mo6 O15 99.5(3) . 4_655
O6 Mo6 O15 99.5(3) . .
O15 Mo6 O15 69.8(3) 4_655 .
O6 Mo6 S3 101.87(19) . .
O15 Mo6 S3 151.75(15) 4_655 .
O15 Mo6 S3 88.50(18) . .
O6 Mo6 S3 101.87(19) . 4_655
O15 Mo6 S3 88.50(18) 4_655 4_655
O15 Mo6 S3 151.75(15) . 4_655
S3 Mo6 S3 104.81(11) . 4_655
O6 Mo6 O22 168.1(4) . .
O15 Mo6 O22 70.9(2) 4_655 .
O15 Mo6 O22 70.9(2) . .
S3 Mo6 O22 85.24(14) . .
S3 Mo6 O22 85.24(14) 4_655 .
O6 Mo6 Mo5 106.6(3) . .
O15 Mo6 Mo5 136.25(17) 4_655 .
O15 Mo6 Mo5 136.25(17) . .
S3 Mo6 Mo5 52.47(6) . .
S3 Mo6 Mo5 52.47(6) 4_655 .
O22 Mo6 Mo5 85.2(2) . .
O7 Mo7 O15 94.3(3) . 4_655
O7 Mo7 O15 94.3(3) . .
O15 Mo7 O15 69.4(3) 4_655 .
O7 Mo7 S4 101.44(19) . .
O15 Mo7 S4 156.05(17) 4_655 .
O15 Mo7 S4 91.33(17) . .
O7 Mo7 S4 101.44(19) . 4_655
O15 Mo7 S4 91.33(17) 4_655 4_655
O15 Mo7 S4 156.06(17) . 4_655
S4 Mo7 S4 102.95(11) . 4_655
O7 Mo7 O22 162.1(3) . .
O15 Mo7 O22 71.1(2) 4_655 .
O15 Mo7 O22 71.1(2) . .
S4 Mo7 O22 89.61(13) . .
S4 Mo7 O22 89.61(13) 4_655 .
O7 Mo7 Mo8 95.3(3) . .
O15 Mo7 Mo8 143.94(16) 4_655 .
O15 Mo7 Mo8 143.94(16) . .
S4 Mo7 Mo8 52.69(6) . .
S4 Mo7 Mo8 52.69(6) 4_655 .
O22 Mo7 Mo8 102.67(19) . .
O7 Mo7 K4 39.29(19) . 3_574
O15 Mo7 K4 130.2(2) 4_655 3_574
O15 Mo7 K4 92.60(19) . 3_574
S4 Mo7 K4 62.22(11) . 3_574
S4 Mo7 K4 111.01(12) 4_655 3_574
O22 Mo7 K4 147.61(8) . 3_574
Mo8 Mo7 K4 73.83(13) . 3_574
O7 Mo7 K4 39.29(19) . 2_674
O15 Mo7 K4 92.60(19) 4_655 2_674
O15 Mo7 K4 130.2(2) . 2_674
S4 Mo7 K4 111.01(12) . 2_674
S4 Mo7 K4 62.22(11) 4_655 2_674
O22 Mo7 K4 147.61(8) . 2_674
Mo8 Mo7 K4 73.83(13) . 2_674
K4 Mo7 K4 63.62(15) 3_574 2_674
O8 Mo8 O16 93.0(3) . 4_655
O8 Mo8 O16 93.0(3) . .
O16 Mo8 O16 71.9(3) 4_655 .
O8 Mo8 O23 166.7(4) . .
O16 Mo8 O23 76.3(3) 4_655 .
O16 Mo8 O23 76.3(3) . .
O8 Mo8 S4 102.1(2) . 4_655
O16 Mo8 S4 90.49(17) 4_655 4_655
O16 Mo8 S4 157.52(18) . 4_655
O23 Mo8 S4 86.13(16) . 4_655
O8 Mo8 S4 102.0(2) . .
O16 Mo8 S4 157.52(18) 4_655 .
O16 Mo8 S4 90.49(17) . .
O23 Mo8 S4 86.14(16) . .
S4 Mo8 S4 102.39(11) 4_655 .
O8 Mo8 Mo7 96.3(3) . .
O16 Mo8 Mo7 142.84(16) 4_655 .
O16 Mo8 Mo7 142.84(17) . .
O23 Mo8 Mo7 97.0(2) . .
S4 Mo8 Mo7 52.40(5) 4_655 .
S4 Mo8 Mo7 52.40(5) . .
O9 Mo9 O16 96.0(3) . .
O9 Mo9 O16 96.0(3) . 4_655
O16 Mo9 O16 71.9(3) . 4_655
O9 Mo9 O24 169.2(4) . .
O16 Mo9 O24 81.3(3) . .
O16 Mo9 O24 73.3(3) 4_655 .
O9 Mo9 O24 169.2(4) . 4_655
O16 Mo9 O24 73.3(3) . 4_655
O16 Mo9 O24 81.3(3) 4_655 4_655
O24 Mo9 O24 13.3(8) . 4_655
O9 Mo9 S5 99.5(2) . .
O16 Mo9 S5 157.14(18) . .
O16 Mo9 S5 89.77(17) 4_655 .
O24 Mo9 S5 80.4(4) . .
O24 Mo9 S5 90.9(4) 4_655 .
O9 Mo9 S5 99.5(2) . 4_655
O16 Mo9 S5 89.77(17) . 4_655
O16 Mo9 S5 157.14(18) 4_655 4_655
O24 Mo9 S5 90.9(3) . 4_655
O24 Mo9 S5 80.4(4) 4_655 4_655
S5 Mo9 S5 103.98(11) . 4_655
O9 Mo9 Mo10 103.4(3) . .
O16 Mo9 Mo10 139.18(16) . .
O16 Mo9 Mo10 139.18(16) 4_655 .
O24 Mo9 Mo10 85.1(2) . .
O24 Mo9 Mo10 85.1(2) 4_655 .
S5 Mo9 Mo10 52.02(5) . .
S5 Mo9 Mo10 52.02(6) 4_655 .
O9 Mo9 K1 41.1(3) . 8_655
O16 Mo9 K1 101.8(2) . 8_655
O16 Mo9 K1 136.7(2) 4_655 8_655
O24 Mo9 K1 149.6(3) . 8_655
O24 Mo9 K1 139.4(4) 4_655 8_655
S5 Mo9 K1 100.94(16) . 8_655
S5 Mo9 K1 59.16(15) 4_655 8_655
Mo10 Mo9 K1 72.82(17) . 8_655
O9 Mo9 K1 41.1(3) . 5_455
O16 Mo9 K1 136.7(2) . 5_455
O16 Mo9 K1 101.8(2) 4_655 5_455
O24 Mo9 K1 139.4(4) . 5_455
O24 Mo9 K1 149.6(3) 4_655 5_455
S5 Mo9 K1 59.16(15) . 5_455
S5 Mo9 K1 100.94(16) 4_655 5_455
Mo10 Mo9 K1 72.82(17) . 5_455
K1 Mo9 K1 52.9(2) 8_655 5_455
O10 Mo10 O17 102.1(3) . 4_655
O10 Mo10 O17 102.1(3) . .
O17 Mo10 O17 71.3(3) 4_655 .
O10 Mo10 S5 100.7(2) . 4_655
O17 Mo10 S5 87.73(16) 4_655 4_655
O17 Mo10 S5 151.77(16) . 4_655
O10 Mo10 S5 100.7(2) . .
O17 Mo10 S5 151.77(16) 4_655 .
O17 Mo10 S5 87.73(16) . .
S5 Mo10 S5 104.26(11) 4_655 .
O10 Mo10 O25 168.8(4) . .
O17 Mo10 O25 69.0(2) 4_655 .
O17 Mo10 O25 69.0(2) . .
S5 Mo10 O25 86.12(12) 4_655 .
S5 Mo10 O25 86.12(12) . .
O10 Mo10 Mo9 105.3(3) . .
O17 Mo10 Mo9 134.59(15) 4_655 .
O17 Mo10 Mo9 134.59(15) . .
S5 Mo10 Mo9 52.17(5) 4_655 .
S5 Mo10 Mo9 52.17(5) . .
O25 Mo10 Mo9 85.91(17) . .
O11 Mo11 O17 95.6(3) . .
O11 Mo11 O17 95.6(3) . 4_655
O17 Mo11 O17 69.4(3) . 4_655
O11 Mo11 O25 165.4(4) . .
O17 Mo11 O25 72.5(2) . .
O17 Mo11 O25 72.5(2) 4_655 .
O11 Mo11 S6 101.2(2) . .
O17 Mo11 S6 155.71(16) . .
O17 Mo11 S6 91.40(16) 4_655 .
O25 Mo11 S6 87.89(13) . .
O11 Mo11 S6 101.2(2) . 4_655
O17 Mo11 S6 91.40(16) . 4_655
O17 Mo11 S6 155.71(16) 4_655 4_655
O25 Mo11 S6 87.89(13) . 4_655
S6 Mo11 S6 102.32(10) . 4_655
O11 Mo11 Mo12 96.3(3) . .
O17 Mo11 Mo12 143.18(15) . .
O17 Mo11 Mo12 143.18(15) 4_655 .
O25 Mo11 Mo12 98.3(2) . .
S6 Mo11 Mo12 52.11(5) . .
S6 Mo11 Mo12 52.11(5) 4_655 .
O11 Mo11 K3 105.85(18) . .
O17 Mo11 K3 38.51(19) . .
O17 Mo11 K3 105.3(2) 4_655 .
O25 Mo11 K3 70.34(16) . .
S6 Mo11 K3 146.38(15) . .
S6 Mo11 K3 53.24(13) 4_655 .
Mo12 Mo11 K3 104.68(12) . .
O11 Mo11 K3 105.85(18) . 4_655
O17 Mo11 K3 105.3(2) . 4_655
O17 Mo11 K3 38.5(2) 4_655 4_655
O25 Mo11 K3 70.34(16) . 4_655
S6 Mo11 K3 53.24(13) . 4_655
S6 Mo11 K3 146.38(15) 4_655 4_655
Mo12 Mo11 K3 104.68(12) . 4_655
K3 Mo11 K3 133.5(3) . 4_655
O11 Mo11 K4 44.5(2) . .
O17 Mo11 K4 138.92(17) . .
O17 Mo11 K4 100.40(18) 4_655 .
O25 Mo11 K4 144.46(12) . .
S6 Mo11 K4 57.03(9) . .
S6 Mo11 K4 103.88(12) 4_655 .
Mo12 Mo11 K4 66.07(11) . .
K3 Mo11 K4 142.78(16) . .
K3 Mo11 K4 82.61(17) 4_655 .
O11 Mo11 K4 44.5(2) . 4_655
O17 Mo11 K4 100.40(18) . 4_655
O17 Mo11 K4 138.92(17) 4_655 4_655
O25 Mo11 K4 144.46(12) . 4_655
S6 Mo11 K4 103.88(12) . 4_655
S6 Mo11 K4 57.03(9) 4_655 4_655
Mo12 Mo11 K4 66.07(11) . 4_655
K3 Mo11 K4 82.61(17) . 4_655
K3 Mo11 K4 142.78(16) 4_655 4_655
K4 Mo11 K4 60.44(15) . 4_655
O12 Mo12 O18 95.1(3) . 4_655
O12 Mo12 O18 95.1(3) . .
O18 Mo12 O18 69.1(3) 4_655 .
O12 Mo12 O26 164.6(4) . .
O18 Mo12 O26 72.33(19) 4_655 .
O18 Mo12 O26 72.33(19) . .
O12 Mo12 S6 100.7(2) . 4_655
O18 Mo12 S6 91.33(16) 4_655 4_655
O18 Mo12 S6 155.93(15) . 4_655
O26 Mo12 S6 88.79(12) . 4_655
O12 Mo12 S6 100.7(2) . .
O18 Mo12 S6 155.93(16) 4_655 .
O18 Mo12 S6 91.33(16) . .
O26 Mo12 S6 88.79(12) . .
S6 Mo12 S6 103.34(10) 4_655 .
O12 Mo12 Mo11 95.5(3) . .
O18 Mo12 Mo11 143.77(16) 4_655 .
O18 Mo12 Mo11 143.77(16) . .
O26 Mo12 Mo11 99.97(17) . .
S6 Mo12 Mo11 52.64(5) 4_655 .
S6 Mo12 Mo11 52.64(5) . .
O12 Mo12 K2 46.2(3) . 4_666
O18 Mo12 K2 49.66(19) 4_655 4_666
O18 Mo12 K2 72.6(2) . 4_666
O26 Mo12 K2 119.6(2) . 4_666
S6 Mo12 K2 105.9(2) 4_655 4_666
S6 Mo12 K2 139.08(19) . 4_666
Mo11 Mo12 K2 135.73(17) . 4_666
O12 Mo12 K2 46.2(3) . 1_566
O18 Mo12 K2 72.6(2) 4_655 1_566
O18 Mo12 K2 49.65(19) . 1_566
O26 Mo12 K2 119.6(2) . 1_566
S6 Mo12 K2 139.08(19) 4_655 1_566
S6 Mo12 K2 105.9(2) . 1_566
Mo11 Mo12 K2 135.73(16) . 1_566
K2 Mo12 K2 35.8(4) 4_666 1_566
O12 Mo12 K4 40.0(2) . .
O18 Mo12 K4 132.04(18) 4_655 .
O18 Mo12 K4 94.18(17) . .
O26 Mo12 K4 146.78(9) . .
S6 Mo12 K4 109.59(12) 4_655 .
S6 Mo12 K4 60.66(11) . .
Mo11 Mo12 K4 72.80(12) . .
K2 Mo12 K4 82.73(18) 4_666 .
K2 Mo12 K4 63.3(2) 1_566 .
O12 Mo12 K4 40.0(2) . 4_655
O18 Mo12 K4 94.18(18) 4_655 4_655
O18 Mo12 K4 132.04(18) . 4_655
O26 Mo12 K4 146.78(9) . 4_655
S6 Mo12 K4 60.66(11) 4_655 4_655
S6 Mo12 K4 109.59(12) . 4_655
Mo11 Mo12 K4 72.80(12) . 4_655
K2 Mo12 K4 63.3(2) 4_666 4_655
K2 Mo12 K4 82.73(19) 1_566 4_655
K4 Mo12 K4 63.48(14) . 4_655
Mo1 S1 Mo2 75.55(7) . .
Mo4 S2 Mo3 75.51(7) . .
Mo4 S2 K1 93.39(19) . 1_565
Mo3 S2 K1 164.78(19) . 1_565
Mo6 S3 Mo5 75.44(7) . .
Mo6 S3 K1 152.5(2) . 1_565
Mo5 S3 K1 93.52(17) . 1_565
Mo6 S3 K7 116.9(4) . .
Mo5 S3 K7 125.7(5) . .
K1 S3 K7 50.0(4) 1_565 .
Mo6 S3 K2 144.94(16) . 6_665
Mo5 S3 K2 103.6(2) . 6_665
K1 S3 K2 61.7(2) 1_565 6_665
K7 S3 K2 92.5(4) . 6_665
Mo7 S4 Mo8 74.92(7) . .
Mo7 S4 K4 82.08(12) . 3_574
Mo8 S4 K4 88.26(13) . 3_574
Mo10 S5 Mo9 75.81(7) . .
Mo10 S5 K3 94.50(18) . .
Mo9 S5 K3 151.16(18) . .
Mo10 S5 K1 90.67(18) . 5_455
Mo9 S5 K1 86.03(18) . 5_455
K3 S5 K1 121.7(2) . 5_455
Mo12 S6 Mo11 75.25(6) . .
Mo12 S6 K3 163.48(18) . 4_655
Mo11 S6 K3 92.17(16) . 4_655
Mo12 S6 K4 83.63(13) . .
Mo11 S6 K4 88.51(12) . .
K3 S6 K4 107.1(2) 4_655 .
P1 P1 O27 101.9(7) 4_655 4_655
P1 P1 O21 79.10(16) 4_655 .
O27 P1 O21 125.8(6) 4_655 .
P1 P1 O27 56.8(5) 4_655 .
O27 P1 O27 45.1(12) 4_655 .
O21 P1 O27 111.3(5) . .
P1 P1 O22 79.38(16) 4_655 .
O27 P1 O22 123.4(6) 4_655 .
O21 P1 O22 110.2(4) . .
O27 P1 O22 109.7(5) . .
P1 P1 O28 164.4(8) 4_655 4_655
O27 P1 O28 62.5(10) 4_655 4_655
O21 P1 O28 108.9(7) . 4_655
O27 P1 O28 107.6(10) . 4_655
O22 P1 O28 109.0(6) . 4_655
P1 P1 O28 11.5(6) 4_655 .
O27 P1 O28 90.3(9) 4_655 .
O21 P1 O28 85.4(5) . .
O27 P1 O28 45.3(7) . .
O22 P1 O28 86.0(5) . .
O28 P1 O28 152.8(13) 4_655 .
P1 P1 K7 171.5(3) 4_655 4_655
O27 P1 K7 83.2(7) 4_655 4_655
O21 P1 K7 103.6(4) . 4_655
O27 P1 K7 127.9(6) . 4_655
O22 P1 K7 92.2(4) . 4_655
O28 P1 K7 21.9(8) 4_655 4_655
O28 P1 K7 170.8(6) . 4_655
P2 P2 O31 83.7(5) 4_655 .
P2 P2 O29 166.8(8) 4_655 .
O31 P2 O29 83.4(10) . .
P2 P2 O26 69.04(18) 4_655 .
O31 P2 O26 120.0(5) . .
O29 P2 O26 115.5(7) . .
P2 P2 O19 69.61(18) 4_655 .
O31 P2 O19 113.1(5) . .
O29 P2 O19 118.6(6) . .
O26 P2 O19 105.7(4) . .
P2 P2 O31 54.6(5) 4_655 4_655
O31 P2 O31 29.1(9) . 4_655
O29 P2 O31 112.4(9) . 4_655
O26 P2 O31 103.6(5) . 4_655
O19 P2 O31 98.7(5) . 4_655
O24 P3 O31 104.8(6) 4_655 .
O24 P3 O30 115.4(8) 4_655 .
O31 P3 O30 102.8(8) . .
O24 P3 O25 106.2(6) 4_655 .
O31 P3 O25 107.8(5) . .
O30 P3 O25 118.7(6) . .
O24 P3 P3 69.3(6) 4_655 4_655
O31 P3 P3 74.5(5) . 4_655
O30 P3 P3 175.2(6) . 4_655
O25 P3 P3 59.2(2) . 4_655
O24 P3 O24 16.1(10) 4_655 .
O31 P3 O24 98.0(6) . .
O30 P3 O24 131.6(7) . .
O25 P3 O24 95.0(5) . .
P3 P3 O24 53.1(5) 4_655 .
O24 P3 O31 93.3(6) 4_655 4_655
O31 P3 O31 23.7(7) . 4_655
O30 P3 O31 126.5(7) . 4_655
O25 P3 O31 91.8(4) . 4_655
P3 P3 O31 50.8(3) 4_655 4_655
O24 P3 O31 82.0(5) . 4_655
Mo3 O3 K3 126.9(4) . 5
Mo3 O3 K3 126.9(4) . 8
K3 O3 K3 75.5(4) 5 8
Mo4 O4 K3 122.6(4) . 5
Mo4 O4 K3 122.6(4) . 8
K3 O4 K3 69.3(4) 5 8
Mo7 O7 K4 118.5(3) . 3_574
Mo7 O7 K4 118.5(3) . 2_674
K4 O7 K4 94.0(3) 3_574 2_674
Mo8 O8 K2 136.7(4) . 2_665
Mo8 O8 K2 136.7(4) . 3_565
K2 O8 K2 44.4(5) 2_665 3_565
Mo8 O8 K4 113.2(3) . 3_574
K2 O8 K4 109.3(3) 2_665 3_574
K2 O8 K4 80.7(3) 3_565 3_574
Mo8 O8 K4 113.2(3) . 2_674
K2 O8 K4 80.7(3) 2_665 2_674
K2 O8 K4 109.3(3) 3_565 2_674
K4 O8 K4 81.2(3) 3_574 2_674
Mo9 O9 K2 138.2(4) . 2_665
Mo9 O9 K2 138.2(4) . 3_565
K2 O9 K2 47.7(5) 2_665 3_565
Mo9 O9 K1 117.3(4) . 8_655
K2 O9 K1 104.4(4) 2_665 8_655
K2 O9 K1 76.2(3) 3_565 8_655
Mo9 O9 K1 117.3(4) . 5_455
K2 O9 K1 76.2(3) 2_665 5_455
K2 O9 K1 104.4(4) 3_565 5_455
K1 O9 K1 74.2(4) 8_655 5_455
Mo10 O10 K5 135.8(6) . .
Mo10 O10 K1 111.3(4) . 8_655
K5 O10 K1 105.3(4) . 8_655
Mo10 O10 K1 111.3(4) . 5_455
K5 O10 K1 105.3(4) . 5_455
K1 O10 K1 66.2(4) 8_655 5_455
Mo11 O11 K4 113.5(3) . .
Mo11 O11 K4 113.5(3) . 4_655
K4 O11 K4 82.5(3) . 4_655
Mo12 O12 K4 117.5(3) . 4_655
Mo12 O12 K4 117.5(3) . .
K4 O12 K4 93.0(3) 4_655 .
Mo12 O12 K2 109.1(4) . 4_666
K4 O12 K2 89.7(3) 4_655 4_666
K4 O12 K2 125.2(4) . 4_666
Mo12 O12 K2 109.1(4) . 1_566
K4 O12 K2 125.2(4) 4_655 1_566
K4 O12 K2 89.7(3) . 1_566
K2 O12 K2 47.4(6) 4_666 1_566
Mo2 O13 Mo3 107.5(3) . .
Mo2 O13 K6 121.6(4) . 1_565
Mo3 O13 K6 115.7(3) . 1_565
Mo5 O14 Mo4 101.2(2) . .
Mo5 O14 K1 116.9(3) . 1_565
Mo4 O14 K1 113.5(3) . 1_565
Mo6 O15 Mo7 100.7(2) . .
Mo8 O16 Mo9 107.2(3) . .
Mo10 O17 Mo11 100.8(2) . .
Mo10 O17 K3 117.6(3) . .
Mo11 O17 K3 112.7(3) . .
Mo10 O17 K6 116.9(5) . 5_455
Mo11 O17 K6 110.6(3) . 5_455
K3 O17 K6 98.7(4) . 5_455
Mo1 O18 Mo12 100.2(2) . .
Mo1 O18 K2 116.0(3) . 1_566
Mo12 O18 K2 96.8(3) . 1_566
P2 O19 P2 40.8(4) 4_655 .
P2 O19 Mo2 127.5(4) 4_655 .
P2 O19 Mo2 127.5(4) . .
P1 O21 P1 21.8(3) 4_655 .
P1 O21 Mo5 127.8(5) 4_655 .
P1 O21 Mo5 127.8(5) . .
P1 O21 Mo4 143.2(4) 4_655 .
P1 O21 Mo4 143.2(4) . .
Mo5 O21 Mo4 86.8(3) . .
P1 O22 P1 21.2(3) 4_655 .
P1 O22 Mo7 144.5(4) 4_655 .
P1 O22 Mo7 144.4(4) . .
P1 O22 Mo6 126.0(4) 4_655 .
P1 O22 Mo6 126.0(4) . .
Mo7 O22 Mo6 87.4(3) . .
O24 O24 P3 110.7(6) 4_655 4_655
O24 O24 P3 53.1(5) 4_655 .
P3 O24 P3 57.6(4) 4_655 .
O24 O24 Mo9 83.3(4) 4_655 .
P3 O24 Mo9 126.2(5) 4_655 .
P3 O24 Mo9 113.6(6) . .
P3 O25 P3 61.6(4) . 4_655
P3 O25 Mo11 141.5(3) . .
P3 O25 Mo11 141.5(3) 4_655 .
P3 O25 Mo10 113.6(4) . .
P3 O25 Mo10 113.6(4) 4_655 .
Mo11 O25 Mo10 86.5(3) . .
P2 O26 P2 41.9(4) . 4_655
P2 O26 Mo12 144.4(4) . .
P2 O26 Mo12 144.4(4) 4_655 .
P2 O26 Mo1 119.7(4) . .
P2 O26 Mo1 119.7(4) 4_655 .
Mo12 O26 Mo1 87.4(2) . .
O27 O27 P1 78.1(7) 4_655 4_655
O27 O27 O28 146.1(7) 4_655 .
P1 O27 O28 67.9(8) 4_655 .
O27 O27 P1 56.8(5) 4_655 .
P1 O27 P1 21.4(4) 4_655 .
O28 O27 P1 89.3(8) . .
O27 O28 P1 49.5(7) . 4_655
O27 O28 P1 45.4(6) . .
P1 O28 P1 4.1(2) 4_655 .
O27 O28 K7 160.8(12) . .
P1 O28 K7 143.9(12) 4_655 .
P1 O28 K7 147.8(10) . .
O2W O29 P2 153.7(16) . .
O22W O30 P3 166(3) . .
O22W O30 K3 67(2) . 4_655
P3 O30 K3 120.3(8) . 4_655
O31 O31 P2 96.3(5) 4_655 .
O31 O31 P3 105.4(5) 4_655 .
P2 O31 P3 141.3(8) . .
O31 O31 P2 54.6(4) 4_655 4_655
P2 O31 P2 41.7(4) . 4_655
P3 O31 P2 145.0(7) . 4_655
O31 O31 P3 50.8(3) 4_655 4_655
P2 O31 P3 136.2(7) . 4_655
P3 O31 P3 54.6(4) . 4_655
P2 O31 P3 99.7(6) 4_655 4_655
O9W K1 O14 131.5(7) . 1_545
O9W K1 K7 63.5(9) . 1_545
O14 K1 K7 116.1(6) 1_545 1_545
O9W K1 O9 70.3(7) . 5_545
O14 K1 O9 103.8(4) 1_545 5_545
K7 K1 O9 131.9(7) 1_545 5_545
O9W K1 S2 161.3(9) . 1_545
O14 K1 S2 62.1(2) 1_545 1_545
K7 K1 S2 99.9(7) 1_545 1_545
O9 K1 S2 122.8(3) 5_545 1_545
O9W K1 O10 103.8(4) . 5_545
O14 K1 O10 120.1(3) 1_545 5_545
K7 K1 O10 107.2(5) 1_545 5_545
O9 K1 O10 71.1(3) 5_545 5_545
S2 K1 O10 71.7(2) 1_545 5_545
O9W K1 S3 78.5(4) . 1_545
O14 K1 S3 60.1(2) 1_545 1_545
K7 K1 S3 68.6(4) 1_545 1_545
O9 K1 S3 114.9(4) 5_545 1_545
S2 K1 S3 104.3(2) 1_545 1_545
O10 K1 S3 173.9(4) 5_545 1_545
O9W K1 S5 125.8(7) . 5_545
O14 K1 S5 73.4(2) 1_545 5_545
K7 K1 S5 159.0(6) 1_545 5_545
O9 K1 S5 56.1(2) 5_545 5_545
S2 K1 S5 66.96(19) 1_545 5_545
O10 K1 S5 54.0(2) 5_545 5_545
S3 K1 S5 129.2(3) 1_545 5_545
O9W K1 K1 47.3(4) . 4_755
O14 K1 K1 156.7(2) 1_545 4_755
K7 K1 K1 84.9(5) 1_545 4_755
O9 K1 K1 52.9(2) 5_545 4_755
S2 K1 K1 127.04(17) 1_545 4_755
O10 K1 K1 56.89(18) 5_545 4_755
S3 K1 K1 125.71(16) 1_545 4_755
S5 K1 K1 90.34(14) 5_545 4_755
O9W K1 K2 53.8(8) . 6_655
O14 K1 K2 84.3(4) 1_545 6_655
K7 K1 K2 106.0(6) 1_545 6_655
O9 K1 K2 50.9(3) 5_545 6_655
S2 K1 K2 144.3(4) 1_545 6_655
O10 K1 K2 121.5(4) 5_545 6_655
S3 K1 K2 64.4(3) 1_545 6_655
S5 K1 K2 93.2(3) 5_545 6_655
K1 K1 K2 80.1(3) 4_755 6_655
O9W K1 Mo9 91.1(7) . 5_545
O14 K1 Mo9 94.6(3) 1_545 5_545
K7 K1 Mo9 148.3(6) 1_545 5_545
O9 K1 Mo9 21.64(17) 5_545 5_545
S2 K1 Mo9 101.2(2) 1_545 5_545
O10 K1 Mo9 58.5(2) 5_545 5_545
S3 K1 Mo9 127.4(3) 1_545 5_545
S5 K1 Mo9 34.81(10) 5_545 5_545
K1 K1 Mo9 63.53(12) 4_755 5_545
K2 K1 Mo9 67.9(2) 6_655 5_545
O9W K1 K7 39.9(7) . 4_745
O14 K1 K7 158.4(5) 1_545 4_745
K7 K1 K7 43.9(8) 1_545 4_745
O9 K1 K7 91.1(4) 5_545 4_745
S2 K1 K7 122.2(4) 1_545 4_745
O10 K1 K7 79.3(4) 5_545 4_745
S3 K1 K7 99.6(4) 1_545 4_745
S5 K1 K7 128.2(4) 5_545 4_745
K1 K1 K7 41.0(4) 4_755 4_745
K2 K1 K7 93.5(4) 6_655 4_745
Mo9 K1 K7 104.5(4) 5_545 4_745
K2 K2 O18W 138.9(6) 4_655 1_544
K2 K2 O9 66.2(3) 4_655 2_664
O18W K2 O9 129.1(6) 1_544 2_664
K2 K2 O12 66.3(3) 4_655 1_544
O18W K2 O12 73.8(6) 1_544 1_544
O9 K2 O12 117.3(4) 2_664 1_544
K2 K2 O18 90.6(3) 4_655 1_544
O18W K2 O18 76.0(6) 1_544 1_544
O9 K2 O18 154.1(5) 2_664 1_544
O12 K2 O18 57.9(2) 1_544 1_544
K2 K2 O9W 66.8(4) 4_655 6_654
O18W K2 O9W 151.0(7) 1_544 6_654
O9 K2 O9W 67.3(5) 2_664 6_654
O12 K2 O9W 123.7(6) 1_544 6_654
O18 K2 O9W 93.7(5) 1_544 6_654
K2 K2 O8 67.8(3) 4_655 2_664
O18W K2 O8 83.0(6) 1_544 2_664
O9 K2 O8 67.8(3) 2_664 2_664
O12 K2 O8 57.8(3) 1_544 2_664
O18 K2 O8 115.5(3) 1_544 2_664
O9W K2 O8 125.4(5) 6_654 2_664
K2 K2 O8W 133.4(4) 4_655 1_533
O18W K2 O8W 57.4(6) 1_544 1_533
O9 K2 O8W 74.7(4) 2_664 1_533
O12 K2 O8W 114.8(5) 1_544 1_533
O18 K2 O8W 131.3(5) 1_544 1_533
O9W K2 O8W 119.7(5) 6_654 1_533
O8 K2 O8W 74.8(4) 2_664 1_533
K2 K2 K1 99.9(3) 4_655 6_654
O18W K2 K1 119.6(7) 1_544 6_654
O9 K2 K1 52.9(2) 2_664 6_654
O12 K2 K1 166.2(5) 1_544 6_654
O18 K2 K1 125.6(3) 1_544 6_654
O9W K2 K1 46.0(4) 6_654 6_654
O8 K2 K1 117.9(3) 2_664 6_654
O8W K2 K1 73.8(4) 1_533 6_654
K2 K2 S3 133.7(2) 4_655 6_664
O18W K2 S3 83.0(6) 1_544 6_664
O9 K2 S3 106.5(3) 2_664 6_664
O12 K2 S3 136.0(3) 1_544 6_664
O18 K2 S3 80.7(2) 1_544 6_664
O9W K2 S3 68.5(3) 6_654 6_664
O8 K2 S3 155.1(4) 2_664 6_664
O8W K2 S3 80.3(4) 1_533 6_664
K1 K2 S3 53.9(2) 6_654 6_664
K2 K2 Mo12 72.1(2) 4_655 1_544
O18W K2 Mo12 76.0(5) 1_544 1_544
O9 K2 Mo12 135.3(4) 2_664 1_544
O12 K2 Mo12 24.73(17) 1_544 1_544
O18 K2 Mo12 33.50(14) 1_544 1_544
O9W K2 Mo12 110.1(5) 6_654 1_544
O8 K2 Mo12 82.5(3) 2_664 1_544
O8W K2 Mo12 129.7(4) 1_533 1_544
K1 K2 Mo12 154.3(3) 6_654 1_544
S3 K2 Mo12 113.74(19) 6_664 1_544
K2 K2 K4 102.7(2) 4_655 1_544
O18W K2 K4 37.3(5) 1_544 1_544
O9 K2 K4 114.7(3) 2_664 1_544
O12 K2 K4 44.5(2) 1_544 1_544
O18 K2 K4 80.4(2) 1_544 1_544
O9W K2 K4 168.1(5) 6_654 1_544
O8 K2 K4 50.4(2) 2_664 1_544
O8W K2 K4 71.4(4) 1_533 1_544
K1 K2 K4 145.2(4) 6_654 1_544
S3 K2 K4 120.1(3) 6_664 1_544
Mo12 K2 K4 59.66(14) 1_544 1_544
O22W K3 O17 98.9(6) 4_655 .
O22W K3 O15W 116.5(11) 4_655 1_465
O17 K3 O15W 122.7(8) . 1_465
O22W K3 O30 16.0(4) 4_655 4_655
O17 K3 O30 83.3(4) . 4_655
O15W K3 O30 124.1(10) 1_465 4_655
O22W K3 O3 151.0(6) 4_655 5_445
O17 K3 O3 104.9(3) . 5_445
O15W K3 O3 62.9(9) 1_465 5_445
O30 K3 O3 164.4(5) 4_655 5_445
O22W K3 O10W 79.8(11) 4_655 1_465
O17 K3 O10W 138.5(7) . 1_465
O15W K3 O10W 37.0(12) 1_465 1_465
O30 K3 O10W 89.5(9) 4_655 1_465
O3 K3 O10W 92.7(7) 5_445 1_465
O22W K3 O4 92.5(5) 4_655 5_445
O17 K3 O4 119.2(3) . 5_445
O15W K3 O4 103.5(7) 1_465 5_445
O30 K3 O4 102.9(5) 4_655 5_445
O3 K3 O4 61.5(3) 5_445 5_445
O10W K3 O4 102.3(7) 1_465 5_445
O22W K3 O16W 141.3(7) 4_655 3_565
O17 K3 O16W 80.2(6) . 3_565
O15W K3 O16W 43.7(9) 1_465 3_565
O30 K3 O16W 134.7(7) 4_655 3_565
O3 K3 O16W 60.7(6) 5_445 3_565
O10W K3 O16W 76.2(11) 1_465 3_565
O4 K3 O16W 122.0(6) 5_445 3_565
O22W K3 S6 78.1(5) 4_655 4_655
O17 K3 S6 63.2(2) . 4_655
O15W K3 S6 81.1(7) 1_465 4_655
O30 K3 S6 67.9(4) 4_655 4_655
O3 K3 S6 127.6(4) 5_445 4_655
O10W K3 S6 76.2(6) 1_465 4_655
O4 K3 S6 170.6(4) 5_445 4_655
O16W K3 S6 66.9(5) 3_565 4_655
O22W K3 S5 66.1(6) 4_655 .
O17 K3 S5 59.8(2) . .
O15W K3 S5 175.0(8) 1_465 .
O30 K3 S5 59.6(4) 4_655 .
O3 K3 S5 112.6(3) 5_445 .
O10W K3 S5 144.8(10) 1_465 .
O4 K3 S5 71.9(2) 5_445 .
O16W K3 S5 137.0(6) 3_565 .
S6 K3 S5 103.8(2) 4_655 .
O22W K3 K3 103.5(6) 4_655 4
O17 K3 K3 157.1(2) . 4
O15W K3 K3 49.7(6) 1_465 4
O30 K3 K3 119.3(3) 4_655 4
O3 K3 K3 52.3(2) 5_445 4
O10W K3 K3 52.4(6) 1_465 4
O4 K3 K3 55.37(18) 5_445 4
O16W K3 K3 85.3(5) 3_565 4
S6 K3 K3 126.45(15) 4_655 4
S5 K3 K3 126.13(15) . 4
O22W K3 Mo11 86.8(5) 4_655 .
O17 K3 Mo11 28.78(14) . .
O15W K3 Mo11 107.0(7) 1_465 .
O30 K3 Mo11 71.3(3) 4_655 .
O3 K3 Mo11 121.9(3) 5_445 .
O10W K3 Mo11 110.7(7) 1_465 .
O4 K3 Mo11 146.2(3) 5_445 .
O16W K3 Mo11 74.1(5) 3_565 .
S6 K3 Mo11 34.59(9) 4_655 .
S5 K3 Mo11 77.07(16) . .
K3 K3 Mo11 156.74(14) 4 .
O18W K4 O7 149.6(7) . 2_675
O18W K4 O12 79.7(7) . .
O7 K4 O12 86.4(2) 2_675 .
O18W K4 O17W 24.2(10) . 1_544
O7 K4 O17W 170.3(9) 2_675 1_544
O12 K4 O17W 96.2(9) . 1_544
O18W K4 O16W 96.2(8) . 2_665
O7 K4 O16W 113.8(6) 2_675 2_665
O12 K4 O16W 124.7(6) . 2_665
O17W K4 O16W 72.2(10) 1_544 2_665
O18W K4 O11 131.7(6) . .
O7 K4 O11 61.3(2) 2_675 .
O12 K4 O11 63.8(2) . .
O17W K4 O11 128.1(8) 1_544 .
O16W K4 O11 81.4(6) 2_665 .
O18W K4 O8 86.7(7) . 2_675
O7 K4 O8 63.1(2) 2_675 2_675
O12 K4 O8 57.6(2) . 2_675
O17W K4 O8 110.5(9) 1_544 2_675
O16W K4 O8 176.6(6) 2_665 2_675
O11 K4 O8 98.10(19) . 2_675
O18W K4 S6 78.1(6) . .
O7 K4 S6 116.8(2) 2_675 .
O12 K4 S6 58.14(17) . .
O17W K4 S6 72.2(8) 1_544 .
O16W K4 S6 67.0(6) 2_665 .
O11 K4 S6 56.39(16) . .
O8 K4 S6 115.5(2) 2_675 .
O18W K4 S4 103.2(6) . 3_575
O7 K4 S4 57.86(18) 2_675 3_575
O12 K4 S4 113.0(2) . 3_575
O17W K4 S4 112.7(8) 1_544 3_575
O16W K4 S4 121.5(6) 2_665 3_575
O11 K4 S4 119.2(2) . 3_575
O8 K4 S4 55.85(18) 2_675 3_575
S6 K4 S4 170.8(2) . 3_575
O18W K4 Mo7 134.7(7) . 2_675
O7 K4 Mo7 22.18(16) 2_675 2_675
O12 K4 Mo7 98.38(18) . 2_675
O17W K4 Mo7 148.4(8) 1_544 2_675
O16W K4 Mo7 119.8(6) 2_665 2_675
O11 K4 Mo7 83.47(18) . 2_675
O8 K4 Mo7 56.80(18) 2_675 2_675
S6 K4 Mo7 138.84(17) . 2_675
S4 K4 Mo7 35.71(6) 3_575 2_675
O18W K4 Mo12 77.0(6) . .
O7 K4 Mo12 99.67(19) 2_675 .
O12 K4 Mo12 22.43(15) . .
O17W K4 Mo12 85.9(8) 1_544 .
O16W K4 Mo12 102.5(6) 2_665 .
O11 K4 Mo12 57.05(17) . .
O8 K4 Mo12 79.88(19) 2_675 .
S6 K4 Mo12 35.71(6) . .
S4 K4 Mo12 135.40(19) 3_575 .
Mo7 K4 Mo12 116.37(12) 2_675 .
O18W K4 K2 42.9(7) . 1_566
O7 K4 K2 109.8(3) 2_675 1_566
O12 K4 K2 45.8(3) . 1_566
O17W K4 K2 66.5(9) 1_544 1_566
O16W K4 K2 134.4(6) 2_665 1_566
O11 K4 K2 109.6(3) . 1_566
O8 K4 K2 48.9(2) 2_675 1_566
S6 K4 K2 82.49(16) . 1_566
S4 K4 K2 92.3(2) 3_575 1_566
Mo7 K4 K2 105.5(2) 2_675 1_566
Mo12 K4 K2 57.05(16) . 1_566
O4W K5 O5W 75.5(6) 2_665 8_634
O4W K5 O5W 75.5(6) 2_665 5_434
O5W K5 O5W 124.2(6) 8_634 5_434
O4W K5 O10 149.0(9) 2_665 .
O5W K5 O10 114.7(4) 8_634 .
O5W K5 O10 114.7(4) 5_434 .
O4W K5 K6 77.8(7) 2_665 8_655
O5W K5 K6 72.7(4) 8_634 8_655
O5W K5 K6 142.4(7) 5_434 8_655
O10 K5 K6 77.9(4) . 8_655
O4W K5 K6 77.8(7) 2_665 5_455
O5W K5 K6 142.4(7) 8_634 5_455
O5W K5 K6 72.7(4) 5_434 5_455
O10 K5 K6 77.9(4) . 5_455
K6 K5 K6 76.2(6) 8_655 5_455
O13W K6 O13 99.8(7) 7 1_545
O13W K6 O17 115.7(8) 7 5_545
O13 K6 O17 121.2(4) 1_545 5_545
O13W K6 O6W 43.6(6) 7 6_655
O13 K6 O6W 126.7(5) 1_545 6_655
O17 K6 O6W 110.9(5) 5_545 6_655
O13W K6 K5 122.1(8) 7 5_545
O13 K6 K5 101.4(6) 1_545 5_545
O17 K6 K5 97.4(5) 5_545 5_545
O6W K6 K5 81.5(6) 6_655 5_545
O13W K6 K6 90.3(6) 7 4_755
O13 K6 K6 151.9(5) 1_545 4_755
O17 K6 K6 76.0(3) 5_545 4_755
O6W K6 K6 49.6(4) 6_655 4_755
K5 K6 K6 51.9(3) 5_545 4_755
O13W K6 K3 111.1(9) 7 5_545
O13 K6 K3 85.2(4) 1_545 5_545
O17 K6 K3 39.7(2) 5_545 5_545
O6W K6 K3 137.1(7) 6_655 5_545
K5 K6 K3 123.8(5) 5_545 5_545
K6 K6 K3 115.7(2) 4_755 5_545
O13W K6 K4 42.2(6) 7 8_645
O13 K6 K4 113.1(6) 1_545 8_645
O17 K6 K4 75.3(4) 5_545 8_645
O6W K6 K4 68.6(6) 6_655 8_645
K5 K6 K4 143.4(4) 5_545 8_645
K6 K6 K4 91.88(17) 4_755 8_645
K3 K6 K4 72.6(3) 5_545 8_645
O28 K7 O14W 52.8(10) . 1_544
O28 K7 K1 82.6(9) . 1_565
O14W K7 K1 111.5(13) 1_544 1_565
O28 K7 O3W 106.6(8) . 1_544
O14W K7 O3W 121.5(10) 1_544 1_544
K1 K7 O3W 119.4(7) 1_565 1_544
O28 K7 O9W 131.7(11) . 1_565
O14W K7 O9W 155.5(11) 1_544 1_565
K1 K7 O9W 54.0(6) 1_565 1_565
O3W K7 O9W 82.0(8) 1_544 1_565
O28 K7 O20W 109.0(11) . 1_544
O14W K7 O20W 58.0(12) 1_544 1_544
K1 K7 O20W 139.4(13) 1_565 1_544
O3W K7 O20W 95.1(15) 1_544 1_544
O9W K7 O20W 117.6(12) 1_565 1_544
O28 K7 K7 158.3(6) . 4_755
O14W K7 K7 109.4(9) 1_544 4_755
K1 K7 K7 95.1(5) 1_565 4_755
O3W K7 K7 93.3(6) 1_544 4_755
O9W K7 K7 58.3(6) 1_565 4_755
O20W K7 K7 59.7(7) 1_544 4_755
O28 K7 S3 69.0(7) . .
O14W K7 S3 121.6(12) 1_544 .
K1 K7 S3 61.4(4) 1_565 .
O3W K7 S3 66.9(4) 1_544 .
O9W K7 S3 71.7(5) 1_565 .
O20W K7 S3 159.3(13) 1_544 .
K7 K7 S3 128.6(4) 4_755 .
O28 K7 P1 14.2(4) . 4_655
O14W K7 P1 65.9(10) 1_544 4_655
K1 K7 P1 80.8(7) 1_565 4_655
O3W K7 P1 95.1(5) 1_544 4_655
O9W K7 P1 123.1(7) 1_565 4_655
O20W K7 P1 119.3(9) 1_544 4_655
K7 K7 P1 171.5(4) 4_755 4_655
S3 K7 P1 55.7(3) . 4_655
O28 K7 K1 132.2(9) . 4_765
O14W K7 K1 120.8(9) 1_544 4_765
K1 K7 K1 54.2(4) 1_565 4_765
O3W K7 K1 111.7(8) 1_544 4_765
O9W K7 K1 35.5(5) 1_565 4_765
O20W K7 K1 95.1(8) 1_544 4_765
K7 K7 K1 41.0(4) 4_755 4_765
S3 K7 K1 101.1(5) . 4_765
P1 K7 K1 134.4(7) 4_655 4_765
K6 O6W K6 80.7(9) 6_654 7_454
K1 O9W K1 85.5(8) 4_755 .
K1 O9W K7 104.6(10) 4_755 1_545
K1 O9W K7 62.6(8) . 1_545
K1 O9W K7 62.6(8) 4_755 4_745
K1 O9W K7 104.6(10) . 4_745
K7 O9W K7 63.3(11) 1_545 4_745
K1 O9W K2 111.4(11) 4_755 6_655
K1 O9W K2 80.2(7) . 6_655
K7 O9W K2 125.1(5) 1_545 6_655
K7 O9W K2 171.5(8) 4_745 6_655
K1 O9W K2 80.2(7) 4_755 7
K1 O9W K2 111.4(11) . 7
K7 O9W K2 171.5(8) 1_545 7
K7 O9W K2 125.1(5) 4_745 7
K2 O9W K2 46.4(7) 6_655 7
K3 O10W K3 75.2(11) 1_645 4_645
K3 O15W K3 80.5(13) 1_645 4_645
K4 O16W K3 118.2(9) 2_664 3_564
O18W O17W K4 56(2) 1_566 1_566
O17W O18W K4 99(3) 1_544 .
O17W O18W K2 155(3) 1_544 1_566
K4 O18W K2 99.7(9) . 1_566
K7 O20W K7 60.6(15) 1_566 4_766
O30 O22W K3 97(2) . 4_655
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo1 O1 1.700(9) .
Mo1 O18 2.100(5) 4_655
Mo1 O18 2.100(5) .
Mo1 S1 2.320(2) 4_655
Mo1 S1 2.320(2) .
Mo1 O26 2.405(7) .
Mo1 Mo2 2.8513(12) .
Mo2 O2 1.679(9) .
Mo2 O13 2.120(6) .
Mo2 O13 2.120(6) 4_655
Mo2 O19 2.264(7) .
Mo2 S1 2.335(2) 4_655
Mo2 S1 2.335(2) .
Mo3 O3 1.680(9) .
Mo3 O13 2.120(5) 4_655
Mo3 O13 2.120(5) .
Mo3 O20 2.270(9) .
Mo3 S2 2.329(2) .
Mo3 S2 2.329(2) 4_655
Mo3 Mo4 2.8454(13) .
Mo4 O4 1.698(8) .
Mo4 O14 2.131(6) .
Mo4 O14 2.131(5) 4_655
Mo4 S2 2.318(2) 4_655
Mo4 S2 2.318(2) .
Mo4 O21 2.452(8) .
Mo5 O5 1.676(9) .
Mo5 O14 2.108(6) 4_655
Mo5 O14 2.108(6) .
Mo5 O21 2.312(7) .
Mo5 S3 2.330(2) 4_655
Mo5 S3 2.330(2) .
Mo5 Mo6 2.8436(14) .
Mo6 O6 1.687(8) .
Mo6 O15 2.099(6) 4_655
Mo6 O15 2.099(6) .
Mo6 S3 2.318(2) .
Mo6 S3 2.318(2) 4_655
Mo6 O22 2.354(8) .
Mo7 O7 1.690(9) .
Mo7 O15 2.110(5) 4_655
Mo7 O15 2.110(5) .
Mo7 S4 2.317(2) .
Mo7 S4 2.317(2) 4_655
Mo7 O22 2.335(8) .
Mo7 Mo8 2.8242(12) .
Mo7 K4 3.933(5) 3_574
Mo7 K4 3.933(5) 2_674
Mo8 O8 1.693(9) .
Mo8 O16 2.106(6) 4_655
Mo8 O16 2.106(6) .
Mo8 O23 2.242(10) .
Mo8 S4 2.326(2) 4_655
Mo8 S4 2.326(2) .
Mo9 O9 1.681(8) .
Mo9 O16 2.107(6) .
Mo9 O16 2.107(6) 4_655
Mo9 O24 2.300(9) .
Mo9 O24 2.300(9) 4_655
Mo9 S5 2.317(2) .
Mo9 S5 2.317(2) 4_655
Mo9 Mo10 2.8446(12) .
Mo9 K1 4.050(10) 8_655
Mo9 K1 4.050(10) 5_455
Mo10 O10 1.663(9) .
Mo10 O17 2.091(5) 4_655
Mo10 O17 2.091(5) .
Mo10 S5 2.313(2) 4_655
Mo10 S5 2.313(2) .
Mo10 O25 2.482(8) .
Mo11 O11 1.687(8) .
Mo11 O17 2.141(5) .
Mo11 O17 2.141(5) 4_655
Mo11 O25 2.272(7) .
Mo11 S6 2.331(2) .
Mo11 S6 2.331(2) 4_655
Mo11 Mo12 2.8361(12) .
Mo11 K3 4.103(8) .
Mo11 K3 4.103(8) 4_655
Mo11 K4 4.118(6) .
Mo11 K4 4.118(6) 4_655
Mo12 O12 1.696(8) .
Mo12 O18 2.130(5) 4_655
Mo12 O18 2.130(5) .
Mo12 O26 2.289(7) .
Mo12 S6 2.314(2) 4_655
Mo12 S6 2.315(2) .
Mo12 K2 3.832(8) 4_666
Mo12 K2 3.832(8) 1_566
Mo12 K4 3.941(5) .
Mo12 K4 3.941(5) 4_655
S2 K1 3.288(11) 1_565
S3 K1 3.343(10) 1_565
S3 K7 3.547(18) .
S3 K2 3.734(11) 6_665
S4 K4 3.513(5) 3_574
S5 K3 3.297(10) .
S5 K1 3.485(10) 5_455
S6 K3 3.290(8) 4_655
S6 K4 3.456(5) .
P1 P1 0.568(8) 4_655
P1 O27 1.304(11) 4_655
P1 O21 1.502(9) .
P1 O27 1.526(12) .
P1 O22 1.541(9) .
P1 O28 1.588(16) 4_655
P1 O28 2.141(16) .
P1 K7 3.81(3) 4_655
P2 P2 1.096(8) 4_655
P2 O31 1.343(11) .
P2 O29 1.514(15) .
P2 O26 1.532(7) .
P2 O19 1.573(8) .
P2 O31 1.637(11) 4_655
P3 O24 1.536(10) 4_655
P3 O31 1.541(10) .
P3 O30 1.547(16) .
P3 O25 1.584(7) .
P3 P3 1.621(8) 4_655
P3 O24 1.796(12) .
P3 O31 1.916(12) 4_655
O3 K3 2.978(11) 5
O3 K3 2.978(11) 8
O4 K3 3.209(11) 5
O4 K3 3.209(11) 8
O7 K4 2.834(8) 3_574
O7 K4 2.835(8) 2_674
O8 K2 3.116(13) 2_665
O8 K2 3.116(13) 3_565
O8 K4 3.184(10) 3_574
O8 K4 3.184(10) 2_674
O9 K2 2.911(11) 2_665
O9 K2 2.911(11) 3_565
O9 K1 2.994(12) 8_655
O9 K1 2.994(12) 5_455
O10 K5 3.062(17) .
O10 K1 3.304(13) 8_655
O10 K1 3.304(13) 5_455
O11 K4 3.145(9) .
O11 K4 3.145(9) 4_655
O12 K4 2.858(8) 4_655
O12 K4 2.858(8) .
O12 K2 2.926(12) 4_666
O12 K2 2.926(12) 1_566
O13 K6 2.762(12) 1_565
O14 K1 2.792(10) 1_565
O17 K3 2.770(10) .
O17 K6 2.877(11) 5_455
O18 K2 2.941(8) 1_566
O19 P2 1.573(8) 4_655
O21 P1 1.502(9) 4_655
O22 P1 1.541(9) 4_655
O24 O24 0.53(3) 4_655
O24 P3 1.536(10) 4_655
O25 P3 1.584(7) 4_655
O26 P2 1.532(7) 4_655
O27 O27 1.10(3) 4_655
O27 P1 1.304(11) 4_655
O27 O28 1.52(2) .
O28 P1 1.588(16) 4_655
O28 K7 2.41(3) .
O29 O2W 1.37(2) .
O30 O22W 0.80(2) .
O30 K3 2.893(18) 4_655
O31 O31 0.80(2) 4_655
O31 P2 1.637(11) 4_655
O31 P3 1.916(12) 4_655
K1 O9W 2.660(19) .
K1 O14 2.792(10) 1_545
K1 K7 2.92(2) 1_545
K1 O9 2.994(12) 5_545
K1 S2 3.288(11) 1_545
K1 O10 3.304(13) 5_545
K1 S3 3.343(10) 1_545
K1 S5 3.485(10) 5_545
K1 K1 3.610(16) 4_755
K1 K2 3.644(14) 6_655
K1 Mo9 4.050(10) 5_545
K1 K7 4.44(2) 4_745
K2 K2 2.35(3) 4_655
K2 O18W 2.82(3) 1_544
K2 O9 2.911(11) 2_664
K2 O12 2.926(12) 1_544
K2 O18 2.941(8) 1_544
K2 O9W 2.98(3) 6_654
K2 O8 3.116(13) 2_664
K2 O8W 3.40(2) 1_533
K2 K1 3.644(14) 6_654
K2 S3 3.734(11) 6_664
K2 Mo12 3.832(7) 1_544
K2 K4 4.078(13) 1_544
K3 O22W 2.69(2) 4_655
K3 O15W 2.82(4) 1_465
K3 O30 2.894(18) 4_655
K3 O3 2.979(11) 5_445
K3 O10W 2.99(4) 1_465
K3 O4 3.209(11) 5_445
K3 O16W 3.26(3) 3_565
K3 S6 3.290(8) 4_655
K3 K3 3.647(16) 4
K4 O18W 2.51(3) .
K4 O7 2.834(8) 2_675
K4 O17W 2.97(4) 1_544
K4 O16W 3.06(3) 2_665
K4 O8 3.184(10) 2_675
K4 S4 3.513(5) 3_575
K4 Mo7 3.933(5) 2_675
K4 K2 4.079(13) 1_566
K5 O4W 2.75(3) 2_665
K5 O5W 2.885(15) 8_634
K5 O5W 2.885(15) 5_434
K5 K6 3.10(3) 8_655
K5 K6 3.10(3) 5_455
K6 O13W 2.42(3) 7
K6 O13 2.762(12) 1_545
K6 O17 2.877(11) 5_545
K6 O6W 2.95(2) 6_655
K6 K5 3.10(3) 5_545
K6 K6 3.83(3) 4_755
K6 K3 4.284(18) 5_545
K6 K4 4.85(2) 8_645
K7 O14W 2.69(4) 1_544
K7 K1 2.92(2) 1_565
K7 O3W 2.93(3) 1_544
K7 O9W 2.94(4) 1_565
K7 O20W 3.06(5) 1_544
K7 K7 3.09(5) 4_755
K7 P1 3.81(3) 4_655
K7 K1 4.44(2) 4_765
O3W K7 2.93(3) 1_566
O4W K5 2.75(3) 2_664
O5W K5 2.885(15) 5_566
O6W K6 2.96(2) 6_654
O6W K6 2.96(2) 7_454
O8W K2 3.40(2) 1_577
O9W K1 2.660(19) 4_755
O9W K7 2.94(4) 1_545
O9W K7 2.94(4) 4_745
O9W K2 2.98(3) 6_655
O9W K2 2.98(3) 7
O10W K3 2.99(4) 1_645
O10W K3 2.99(4) 4_645
O13W K6 2.42(3) 7_454
O14W K7 2.69(4) 1_566
O15W K3 2.82(4) 1_645
O15W K3 2.82(4) 4_645
O16W K4 3.06(3) 2_664
O16W K3 3.26(3) 3_564
O17W O18W 1.23(5) 1_566
O17W K4 2.97(4) 1_566
O18W O17W 1.23(5) 1_544
O18W K2 2.82(3) 1_566
O19W O19W 0.88(8) 4_755
O20W K7 3.06(5) 1_566
O20W K7 3.06(5) 4_766
O22W K3 2.69(2) 4_655
