#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:23:48 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180137 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/34/7103408.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_7103408
loop_
_publ_author_name
'Miras, Haralampos N'
'Stone, Daniel J'
'McInnes, Eric J L'
'Raptis, Raphael G'
'Baran, Peter'
'Chilas, George I'
'Sigalas, Michael P'
'Kabanos, Themistoklis A'
'Cronin, Leroy'
_publ_section_title
;
 Solution identification and solid state characterisation of a
 heterometallic polyoxometalate {Mo(11)V(7)}:
 [Mo(VI)(11)V(V)(5)V(IV)(2)O(52)(mu(9)-SO(3))](7-).
;
_journal_issue                   39
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              4703
_journal_page_last               4705
_journal_paper_doi               10.1039/b811279g
_journal_year                    2008
_chemical_formula_sum            'H52 Mo11 N7 O67 S V7'
_chemical_formula_weight         2666.47
_chemical_name_systematic
;
?
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_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                 105.653(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.1402(2)
_cell_length_b                   19.1486(3)
_cell_length_c                   13.4922(3)
_cell_measurement_reflns_used    15855
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.5573
_cell_measurement_theta_min      3.1388
_cell_volume                     3020.18(10)
_computing_cell_refinement
;CrysAlis RED, Oxford Diffraction Ltd.,Version 1.171.32.5
(release 08-05-2007 CrysAlis171 .NET)
;
_computing_data_collection
;CrysAlis RED, Oxford Diffraction Ltd.,Version 1.171.32.5
(release 08-05-2007 CrysAlis171 .NET)
;
_computing_data_reduction
;CrysAlis RED, Oxford Diffraction Ltd.,Version 1.171.32.5
(release 08-05-2007 CrysAlis171 .NET)
;
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    Saint
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  Oxford
_diffrn_measurement_method       /w
_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  0.0216
_diffrn_reflns_av_sigmaI/netI    0.0185
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            21908
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         3.15
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    3.396
_exptl_absorpt_correction_T_max  0.7276
_exptl_absorpt_correction_T_min  0.7276
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            dark
_exptl_crystal_density_diffrn    2.932
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2552
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.066
_refine_diff_density_min         -1.213
_refine_diff_density_rms         0.149
_refine_ls_extinction_coef       none
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     446
_refine_ls_number_reflns         5765
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0355
_refine_ls_R_factor_gt           0.0301
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0376P)²+22.7731P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0818
_refine_ls_wR_factor_ref         0.0843
_reflns_number_gt                5218
_reflns_number_total             5765
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b811279g.txt
_cod_data_source_block           hm441b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P2(1)/m
_cod_database_code               7103408
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Mo1 Mo 0.15963(3) 0.43529(2) 0.10780(3) 0.01006(10) Uani 1 1 d . . .
Mo2 Mo -0.11610(4) 0.33813(2) 0.01935(3) 0.01411(11) Uani 1 1 d . . .
Mo3 Mo -0.22445(5) 0.2500 0.18789(5) 0.01459(14) Uani 1 2 d S . .
Mo4 Mo -0.06883(5) 0.2500 0.46800(4) 0.01246(14) Uani 1 2 d S . .
Mo5 Mo 0.41243(6) 0.2500 0.61436(5) 0.01607(16) Uani 0.80 2 d SP . .
Mo6 Mo 0.28208(5) 0.43388(3) 0.35592(4) 0.01619(13) Uani 0.60 1 d P . .
Mo7 Mo 0.52720(5) 0.34241(3) 0.43179(4) 0.01716(14) Uani 0.60 1 d P . .
Mo8 Mo 0.39618(5) 0.34427(3) 0.17981(4) 0.01545(13) Uani 0.60 1 d P . .
Mo9 Mo 0.16718(7) 0.34002(4) 0.53734(5) 0.02034(17) Uani 0.30 1 d P . .
V5 V 0.41243(6) 0.2500 0.61436(5) 0.01607(16) Uani 0.20 2 d SP . .
V6 V 0.28208(5) 0.43388(3) 0.35592(4) 0.01619(13) Uani 0.40 1 d P . .
V7 V 0.52720(5) 0.34241(3) 0.43179(4) 0.01716(14) Uani 0.40 1 d P . .
V8 V 0.39618(5) 0.34427(3) 0.17981(4) 0.01545(13) Uani 0.40 1 d P . .
V9 V 0.16718(7) 0.34002(4) 0.53734(5) 0.02034(17) Uani 0.70 1 d P . .
V10 V 0.15773(9) 0.2500 0.04946(8) 0.0074(2) Uani 1 2 d S . .
V11 V 0.00564(7) 0.37357(4) 0.28872(6) 0.00924(17) Uani 1 1 d . . .
S1 S 0.26026(13) 0.2500 0.34382(12) 0.0077(3) Uani 1 2 d S . .
O1 O 0.0163(4) 0.2500 0.0477(4) 0.0110(10) Uani 1 2 d S . .
O2 O -0.1172(3) 0.3198(2) 0.5226(3) 0.0192(8) Uani 1 1 d . . .
O3 O -0.3155(3) 0.3196(2) 0.1652(3) 0.0203(8) Uani 1 1 d . . .
O4 O -0.1295(3) 0.3255(2) -0.1092(3) 0.0192(8) Uani 1 1 d . . .
O5 O 0.1068(3) 0.3923(2) 0.6015(3) 0.0174(8) Uani 1 1 d . . .
O6 O 0.1719(4) 0.2500 -0.0682(4) 0.0174(11) Uani 1 2 d S . .
O7 O 0.2588(4) 0.2500 0.4582(3) 0.0111(10) Uani 1 2 d S . .
O8 O 0.5013(4) 0.2500 0.7327(4) 0.0188(11) Uani 1 2 d S . .
O9 O 0.2994(3) 0.31873(18) 0.6330(3) 0.0138(7) Uani 1 1 d . . .
O10 O 0.9538(6) 0.5819(4) 0.2017(5) 0.0489(18) Uani 0.75 1 d P . .
O10' O 1.010(3) 0.6103(18) 0.243(2) 0.080(9) Uiso 0.25 1 d P . .
O11 O -0.1990(4) 0.2500 0.0428(4) 0.0110(10) Uani 1 2 d S . .
O12' O 0.985(2) 0.7500 0.255(2) 0.038(7) Uiso 0.30 2 d SP . .
O12 O 0.9836(9) 0.7809(6) 0.2575(8) 0.0124(19) Uiso 0.35 1 d P . .
O13 O -0.1656(4) 0.2500 0.3321(4) 0.0170(11) Uani 1 2 d S . .
O14 O 0.2291(3) 0.40284(18) 0.4617(2) 0.0123(7) Uani 1 1 d . . .
O15 O 0.4142(4) 0.2500 0.1660(4) 0.0111(10) Uani 1 2 d S . .
O16 O 0.4331(3) 0.43067(18) 0.4163(3) 0.0130(7) Uani 1 1 d . . .
O17 O -0.0794(3) 0.32429(19) 0.1906(3) 0.0138(7) Uani 1 1 d . . .
O18 O 0.4772(3) 0.31993(18) 0.5477(3) 0.0160(7) Uani 1 1 d . . .
O19 O 0.6533(3) 0.3808(2) 0.4808(3) 0.0172(8) Uani 1 1 d . . .
O20 O 0.5636(4) 0.2500 0.4171(4) 0.0147(10) Uani 1 2 d S . .
O21 O 0.0142(3) 0.39697(18) 0.0546(3) 0.0130(7) Uani 1 1 d . . .
O22 O -0.2234(3) 0.39504(19) 0.0194(3) 0.0177(8) Uani 1 1 d . . .
O23 O 0.1311(3) 0.51848(18) 0.1385(3) 0.0169(8) Uani 1 1 d . . .
O24 O 0.3124(3) 0.42919(17) 0.2127(2) 0.0097(7) Uani 1 1 d . . .
O25 O 0.5162(3) 0.36118(18) 0.2842(2) 0.0122(7) Uani 1 1 d . . .
O26 O 0.1332(3) 0.39739(18) 0.2586(2) 0.0110(7) Uani 1 1 d . . .
O27 O 0.2029(3) 0.44586(19) -0.0022(3) 0.0173(8) Uani 1 1 d . . .
O28 O 0.2241(3) 0.32505(17) 0.1141(2) 0.0102(7) Uani 1 1 d . . .
O29 O 0.0380(3) 0.32632(18) 0.4043(2) 0.0118(7) Uani 1 1 d . . .
O30 O 0.4324(3) 0.37780(19) 0.0813(3) 0.0154(7) Uani 1 1 d . . .
O31 O 0.3369(3) 0.31328(17) 0.3356(2) 0.0104(7) Uani 1 1 d . . .
O32 O 0.0919(4) 0.2500 0.5616(4) 0.0117(10) Uani 1 2 d S . .
O33 O 0.2526(3) 0.51710(19) 0.3536(3) 0.0167(8) Uani 1 1 d . . .
O34 O -0.0622(3) 0.4453(2) 0.3020(3) 0.0233(9) Uani 1 1 d . . .
O35 O 0.4478(4) 0.4580(2) 0.6416(3) 0.0337(10) Uani 1 1 d . . .
O36 O 0.3092(4) 0.3509(2) 0.8425(3) 0.0298(10) Uani 1 1 d . . .
O37 O 0.5467(4) 0.3254(3) 0.9350(4) 0.0401(12) Uani 1 1 d . . .
O38 O 0.3833(6) 0.5019(3) 0.9346(6) 0.075(2) Uani 1 1 d . . .
O39 O 0.7660(8) 0.3066(5) 0.6760(7) 0.035(2) Uiso 0.50 1 d P . .
N1 N 0.8874(6) 0.4670(3) 0.4955(5) 0.0435(15) Uani 1 1 d . . .
N2 N 0.6342(6) 0.3993(4) 0.7928(5) 0.077(3) Uani 1 1 d . . .
N3 N 0.3077(5) 0.5425(3) 0.7285(5) 0.0438(16) Uani 1 1 d . . .
N4 N 0.7356(12) 0.3371(8) 0.6907(11) 0.050(3) Uiso 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
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
V V 0.3005 0.5294 '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'
O O 0.0106 0.0060 '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'
H H 0.0000 0.0000 '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
_geom_angle_publ_flag
O23 Mo1 O27 103.28(17) . . ?
O23 Mo1 O21 103.14(16) . . ?
O27 Mo1 O21 101.09(16) . . ?
O23 Mo1 O24 95.33(15) . . ?
O27 Mo1 O24 100.14(15) . . ?
O21 Mo1 O24 147.67(14) . . ?
O23 Mo1 O28 163.95(14) . . ?
O27 Mo1 O28 87.63(15) . . ?
O21 Mo1 O28 85.93(13) . . ?
O24 Mo1 O28 70.88(12) . . ?
O23 Mo1 O26 89.65(15) . . ?
O27 Mo1 O26 165.20(15) . . ?
O21 Mo1 O26 82.60(13) . . ?
O24 Mo1 O26 71.10(12) . . ?
O28 Mo1 O26 78.29(12) . . ?
O22 Mo2 O4 103.15(18) . . ?
O22 Mo2 O21 101.93(16) . . ?
O4 Mo2 O21 100.51(16) . . ?
O22 Mo2 O11 96.94(16) . . ?
O4 Mo2 O11 97.15(18) . . ?
O21 Mo2 O11 150.36(16) . . ?
O22 Mo2 O17 90.82(15) . . ?
O4 Mo2 O17 164.05(16) . . ?
O21 Mo2 O17 83.80(13) . . ?
O11 Mo2 O17 73.22(15) . . ?
O22 Mo2 O1 167.52(17) . . ?
O4 Mo2 O1 86.32(17) . . ?
O21 Mo2 O1 84.00(13) . . ?
O11 Mo2 O1 73.55(14) . . ?
O17 Mo2 O1 78.81(15) . . ?
O3 Mo3 O3 102.8(3) 4_565 . ?
O3 Mo3 O13 103.44(15) 4_565 . ?
O3 Mo3 O13 103.44(15) . . ?
O3 Mo3 O11 94.90(15) 4_565 . ?
O3 Mo3 O11 94.90(15) . . ?
O13 Mo3 O11 150.28(19) . . ?
O3 Mo3 O17 163.88(16) 4_565 . ?
O3 Mo3 O17 88.59(16) . . ?
O13 Mo3 O17 84.65(14) . . ?
O11 Mo3 O17 72.48(13) . . ?
O3 Mo3 O17 88.59(16) 4_565 4_565 ?
O3 Mo3 O17 163.88(16) . 4_565 ?
O13 Mo3 O17 84.65(14) . 4_565 ?
O11 Mo3 O17 72.48(13) . 4_565 ?
O17 Mo3 O17 78.18(18) . 4_565 ?
O2 Mo4 O2 103.2(3) . 4_565 ?
O2 Mo4 O13 102.85(15) . . ?
O2 Mo4 O13 102.85(15) 4_565 . ?
O2 Mo4 O32 96.74(15) . . ?
O2 Mo4 O32 96.74(15) 4_565 . ?
O13 Mo4 O32 148.1(2) . . ?
O2 Mo4 O29 165.08(15) . 4_565 ?
O2 Mo4 O29 87.56(16) 4_565 4_565 ?
O13 Mo4 O29 84.39(14) . 4_565 ?
O32 Mo4 O29 71.46(13) . 4_565 ?
O2 Mo4 O29 87.56(16) . . ?
O2 Mo4 O29 165.08(15) 4_565 . ?
O13 Mo4 O29 84.39(14) . . ?
O32 Mo4 O29 71.46(13) . . ?
O29 Mo4 O29 80.11(17) 4_565 . ?
O8 Mo5 O18 102.11(17) . 4_565 ?
O8 Mo5 O18 102.11(17) . . ?
O18 Mo5 O18 89.8(2) 4_565 . ?
O8 Mo5 O9 99.85(17) . 4_565 ?
O18 Mo5 O9 88.91(15) 4_565 4_565 ?
O18 Mo5 O9 157.78(15) . 4_565 ?
O8 Mo5 O9 99.85(17) . . ?
O18 Mo5 O9 157.78(15) 4_565 . ?
O18 Mo5 O9 88.91(15) . . ?
O9 Mo5 O9 84.0(2) 4_565 . ?
O8 Mo5 O7 170.3(2) . . ?
O18 Mo5 O7 84.69(13) 4_565 . ?
O18 Mo5 O7 84.69(13) . . ?
O9 Mo5 O7 73.10(13) 4_565 . ?
O9 Mo5 O7 73.10(12) . . ?
O33 Mo6 O16 103.53(17) . . ?
O33 Mo6 O14 102.25(17) . . ?
O16 Mo6 O14 99.62(15) . . ?
O33 Mo6 O26 99.78(16) . . ?
O16 Mo6 O26 153.54(15) . . ?
O14 Mo6 O26 87.37(14) . . ?
O33 Mo6 O24 96.80(15) . . ?
O16 Mo6 O24 90.28(14) . . ?
O14 Mo6 O24 155.74(14) . . ?
O26 Mo6 O24 74.59(13) . . ?
O33 Mo6 O31 170.97(15) . . ?
O16 Mo6 O31 75.07(13) . . ?
O14 Mo6 O31 86.77(13) . . ?
O26 Mo6 O31 79.94(12) . . ?
O24 Mo6 O31 74.38(12) . . ?
O19 Mo7 O20 104.2(2) . . ?
O19 Mo7 O18 103.91(16) . . ?
O20 Mo7 O18 90.58(19) . . ?
O19 Mo7 O25 97.09(16) . . ?
O20 Mo7 O25 91.10(18) . . ?
O18 Mo7 O25 157.83(15) . . ?
O19 Mo7 O16 96.01(16) . . ?
O20 Mo7 O16 159.35(18) . . ?
O18 Mo7 O16 88.69(15) . . ?
O25 Mo7 O16 82.06(14) . . ?
O19 Mo7 O31 165.54(15) . . ?
O20 Mo7 O31 86.69(17) . . ?
O18 Mo7 O31 85.20(13) . . ?
O25 Mo7 O31 72.84(12) . . ?
O16 Mo7 O31 72.68(12) . . ?
O30 Mo8 O25 103.36(16) . . ?
O30 Mo8 O15 103.75(19) . . ?
O25 Mo8 O15 99.58(19) . . ?
O30 Mo8 O24 97.06(16) . . ?
O25 Mo8 O24 91.90(15) . . ?
O15 Mo8 O24 153.08(17) . . ?
O30 Mo8 O28 100.53(15) . . ?
O25 Mo8 O28 153.68(14) . . ?
O15 Mo8 O28 85.18(17) . . ?
O24 Mo8 O28 74.26(13) . . ?
O30 Mo8 O31 170.82(15) . . ?
O25 Mo8 O31 74.45(13) . . ?
O15 Mo8 O31 85.44(17) . . ?
O24 Mo8 O31 74.24(12) . . ?
O28 Mo8 O31 80.21(12) . . ?
O5 Mo9 O9 101.50(17) . . ?
O5 Mo9 O14 101.61(17) . . ?
O9 Mo9 O14 97.16(15) . . ?
O5 Mo9 O32 98.69(18) . . ?
O9 Mo9 O32 92.58(17) . . ?
O14 Mo9 O32 155.20(16) . . ?
O5 Mo9 O29 101.34(16) . . ?
O9 Mo9 O29 155.81(15) . . ?
O14 Mo9 O29 85.97(14) . . ?
O32 Mo9 O29 76.15(16) . . ?
O5 Mo9 O7 172.54(16) . . ?
O9 Mo9 O7 74.52(15) . . ?
O14 Mo9 O7 85.26(13) . . ?
O32 Mo9 O7 75.42(14) . . ?
O29 Mo9 O7 81.88(14) . . ?
O6 V10 O1 110.7(2) . . ?
O6 V10 O28 109.01(14) . . ?
O1 V10 O28 109.32(14) . . ?
O6 V10 O28 109.01(14) . 4_565 ?
O1 V10 O28 109.32(14) . 4_565 ?
O28 V10 O28 109.5(2) . 4_565 ?
O34 V11 O17 109.19(19) . . ?
O34 V11 O29 109.55(18) . . ?
O17 V11 O29 110.18(17) . . ?
O34 V11 O26 107.87(19) . . ?
O17 V11 O26 110.23(16) . . ?
O29 V11 O26 109.78(16) . . ?
O7 S1 O31 103.87(17) . . ?
O7 S1 O31 103.87(17) . 4_565 ?
O31 S1 O31 102.9(3) . 4_565 ?
V10 O1 Mo2 131.20(10) . 4_565 ?
V10 O1 Mo2 131.20(10) . . ?
Mo2 O1 Mo2 94.93(17) 4_565 . ?
S1 O7 Mo5 131.2(3) . . ?
S1 O7 V9 124.32(15) . 4_565 ?
Mo5 O7 V9 87.36(13) . 4_565 ?
S1 O7 Mo9 124.32(15) . 4_565 ?
Mo5 O7 Mo9 87.36(13) . 4_565 ?
V9 O7 Mo9 0.00(4) 4_565 4_565 ?
S1 O7 Mo9 124.32(15) . . ?
Mo5 O7 Mo9 87.36(13) . . ?
V9 O7 Mo9 89.53(16) 4_565 . ?
Mo9 O7 Mo9 89.53(16) 4_565 . ?
Mo9 O9 Mo5 125.01(18) . . ?
Mo2 O11 Mo2 112.2(2) . 4_565 ?
Mo2 O11 Mo3 110.79(14) . . ?
Mo2 O11 Mo3 110.79(14) 4_565 . ?
O12 O12' O12 171(6) 4_575 . ?
O12' O12 O12 4(3) . 4_575 ?
Mo3 O13 Mo4 164.7(3) . . ?
Mo6 O14 Mo9 157.4(2) . . ?
V8 O15 Mo8 0.00(4) 4_565 4_565 ?
V8 O15 Mo8 159.6(3) 4_565 . ?
Mo8 O15 Mo8 159.6(3) 4_565 . ?
Mo6 O16 Mo7 123.76(18) . . ?
V11 O17 Mo2 129.53(19) . . ?
V11 O17 Mo3 131.33(18) . . ?
Mo2 O17 Mo3 96.93(13) . . ?
Mo7 O18 Mo5 145.7(2) . . ?
V7 O20 Mo7 0.00(4) 4_565 4_565 ?
V7 O20 Mo7 146.6(3) 4_565 . ?
Mo7 O20 Mo7 146.6(3) 4_565 . ?
Mo1 O21 Mo2 165.6(2) . . ?
Mo1 O24 Mo8 108.33(15) . . ?
Mo1 O24 Mo6 107.02(15) . . ?
Mo8 O24 Mo6 117.76(15) . . ?
Mo8 O25 Mo7 125.73(18) . . ?
V11 O26 Mo6 128.15(18) . . ?
V11 O26 Mo1 129.51(17) . . ?
Mo6 O26 Mo1 98.78(13) . . ?
V10 O28 Mo8 129.19(18) . . ?
V10 O28 Mo1 129.83(17) . . ?
Mo8 O28 Mo1 98.66(13) . . ?
V11 O29 Mo9 130.20(19) . . ?
V11 O29 Mo4 130.89(17) . . ?
Mo9 O29 Mo4 97.52(13) . . ?
S1 O31 Mo7 130.89(19) . . ?
S1 O31 Mo6 123.02(18) . . ?
Mo7 O31 Mo6 88.34(11) . . ?
S1 O31 Mo8 124.53(18) . . ?
Mo7 O31 Mo8 86.86(11) . . ?
Mo6 O31 Mo8 91.10(11) . . ?
Mo4 O32 Mo9 107.59(15) . . ?
Mo4 O32 V9 107.59(15) . 4_565 ?
Mo9 O32 V9 117.3(2) . 4_565 ?
Mo4 O32 Mo9 107.59(15) . 4_565 ?
Mo9 O32 Mo9 117.3(2) . 4_565 ?
V9 O32 Mo9 0.00(5) 4_565 4_565 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Mo1 O23 1.705(4) . ?
Mo1 O27 1.715(3) . ?
Mo1 O21 1.867(3) . ?
Mo1 O24 2.010(3) . ?
Mo1 O28 2.245(3) . ?
Mo1 O26 2.263(3) . ?
Mo2 O22 1.698(4) . ?
Mo2 O4 1.715(4) . ?
Mo2 O21 1.896(3) . ?
Mo2 O11 2.033(3) . ?
Mo2 O17 2.247(3) . ?
Mo2 O1 2.290(3) . ?
Mo3 O3 1.706(4) 4_565 ?
Mo3 O3 1.706(4) . ?
Mo3 O13 1.883(5) . ?
Mo3 O11 2.063(5) . ?
Mo3 O17 2.256(3) . ?
Mo3 O17 2.256(3) 4_565 ?
Mo4 O2 1.705(4) . ?
Mo4 O2 1.705(4) 4_565 ?
Mo4 O13 1.893(5) . ?
Mo4 O32 2.018(5) . ?
Mo4 O29 2.271(3) 4_565 ?
Mo4 O29 2.271(3) . ?
Mo5 O8 1.669(5) . ?
Mo5 O18 1.897(4) 4_565 ?
Mo5 O18 1.897(4) . ?
Mo5 O9 1.966(4) 4_565 ?
Mo5 O9 1.966(4) . ?
Mo5 O7 2.408(4) . ?
Mo6 O33 1.632(4) . ?
Mo6 O16 1.796(3) . ?
Mo6 O14 1.816(3) . ?
Mo6 O26 2.049(3) . ?
Mo6 O24 2.065(3) . ?
Mo6 O31 2.439(3) . ?
Mo7 O19 1.666(3) . ?
Mo7 O20 1.8473(15) . ?
Mo7 O18 1.874(4) . ?
Mo7 O25 1.992(3) . ?
Mo7 O16 2.019(4) . ?
Mo7 O31 2.391(3) . ?
Mo8 O30 1.639(4) . ?
Mo8 O25 1.761(3) . ?
Mo8 O15 1.8339(10) . ?
Mo8 O24 2.029(3) . ?
Mo8 O28 2.070(3) . ?
Mo8 O31 2.471(3) . ?
Mo9 O5 1.622(4) . ?
Mo9 O9 1.814(3) . ?
Mo9 O14 1.862(3) . ?
Mo9 O32 2.018(3) . ?
Mo9 O29 2.057(3) . ?
Mo9 O7 2.448(3) . ?
V10 O6 1.642(5) . ?
V10 O1 1.711(5) . ?
V10 O28 1.760(3) . ?
V10 O28 1.760(3) 4_565 ?
V11 O34 1.636(4) . ?
V11 O17 1.724(3) . ?
V11 O29 1.754(3) . ?
V11 O26 1.764(3) . ?
S1 O7 1.547(5) . ?
S1 O31 1.550(3) . ?
S1 O31 1.550(3) 4_565 ?
O1 Mo2 2.290(3) 4_565 ?
O7 V9 2.448(3) 4_565 ?
O7 Mo9 2.448(3) 4_565 ?
O10 O10' 0.93(3) . ?
O11 Mo2 2.033(3) 4_565 ?
O12' O12 0.594(12) 4_575 ?
O12' O12 0.594(12) . ?
O12 O12 1.18(2) 4_575 ?
O15 V8 1.8339(10) 4_565 ?
O15 Mo8 1.8339(10) 4_565 ?
O20 V7 1.8473(15) 4_565 ?
O20 Mo7 1.8473(15) 4_565 ?
O32 V9 2.018(3) 4_565 ?
O32 Mo9 2.018(3) 4_565 ?
O39 N4 0.745(15) . ?
