#------------------------------------------------------------------------------
#$Date: 2019-11-17 09:56:57 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229222 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/63/7046375.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_7046375
loop_
_publ_author_name
'Lu, Jingkun'
'Wang, Yaping'
'Ma, Xinyi'
'Niu, Yanjun'
'Singh, Vikram'
'Ma, Pengtao'
'Zhang, Chao'
'Niu, Jingyang'
'Wang, Jingping'
_publ_section_title
;
 Synthesis and characterization of a Sb(v)-containing polyoxomolybdate
 serving as a catalyst for sulfoxidation.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8070
_journal_page_last               8077
_journal_paper_doi               10.1039/c8dt01273c
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         '0.5(Mo24 Na10 O136 Sb10), 4(C4 H12 N), 6(O)'
_chemical_formula_sum            'C16 H48 Mo12 N4 Na5 O74 Sb5'
_chemical_formula_weight         3355.56
_space_group_crystal_system      orthorhombic
_space_group_IT_number           63
_space_group_name_Hall           '-C 2c 2'
_space_group_name_H-M_alt        'C m c m'
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             2018-01-16
_audit_creation_method
;
Olex2 1.2-beta
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_audit_update_record
;
2018-01-19 deposited with the CCDC.
2018-05-16 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.2579(7)
_cell_length_b                   23.8635(14)
_cell_length_c                   13.8297(8)
_cell_measurement_reflns_used    4646
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.27
_cell_measurement_theta_min      2.25
_cell_volume                     4045.4(4)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS-1997 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296.15
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0354
_diffrn_reflns_av_unetI/netI     0.0309
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9858
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.099
_diffrn_reflns_theta_max         25.099
_diffrn_reflns_theta_min         1.707
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.578
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.4485
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2008/1 (Bruker,2008) was used for absorption correction. wR2(int) was 0.1298 before and 0.0581 after correction. The Ratio of minimum to maximum transmission is 0.6014. The λ/2 correction factor is 0.0015.'
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.755
_exptl_crystal_description       block
_exptl_crystal_F_000             3156
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.801
_refine_diff_density_min         -1.828
_refine_diff_density_rms         0.213
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.105
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     149
_refine_ls_number_reflns         1955
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.105
_refine_ls_R_factor_all          0.0596
_refine_ls_R_factor_gt           0.0518
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0550P)²+122.7571P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1359
_refine_ls_wR_factor_ref         0.1437
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1674
_reflns_number_total             1955
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8dt01273c2.cif
_cod_data_source_block           njy1
_cod_depositor_comments          'Adding full bibliography for 7046375.cif.'
_cod_database_code               7046375
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups
2. Shared sites
{Sb2, Na2}
{Sb3, Na3}
3. Uiso/Uaniso restraints and constraints
Uanis(Sb2) = Uanis(Na2)
Uanis(Sb3) = Uanis(Na3)
4. Others
 Fixed Sof: Sb2(0.125) Na2(0.125) Sb3(0.25) Na3(0.25) Na1(0.25) H1A(0.5)
 H1B(0.5) H1C(0.5) H2A(0.5) H2B(0.5) H2C(0.5) O6W(0.25)
5.a Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C2(H2A,H2B,H2C), C3(H3A,H3B,H3C)
;
_shelx_shelxl_version_number     2018/1
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'x, -y, -z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, y, -z-1/2'
'-x, y, z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z-1/2'
'-x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sb1 Sb 0.000000 0.500000 0.000000 0.0362(4) Uani 1 4 d S T P A .
Sb2 Sb 0.000000 0.41134(7) -0.250000 0.0214(4) Uani 0.5 4 d S T P A 1
Na2 Na 0.000000 0.41134(7) -0.250000 0.0214(4) Uani 0.5 4 d S T P A 2
Sb3 Sb 0.14607(10) 0.45869(6) 0.250000 0.0240(3) Uani 0.5 2 d S T P A 1
Na3 Na 0.14607(10) 0.45869(6) 0.250000 0.0240(3) Uani 0.5 2 d S T P A 2
Mo1 Mo 0.13523(5) 0.37986(3) -0.00059(5) 0.0220(3) Uani 1 1 d . . . . .
Mo2 Mo 0.27154(8) 0.500000 0.000000 0.0222(3) Uani 1 2 d S T P A .
Na1 Na 0.2406(11) 0.3274(6) 0.250000 0.056(3) Uani 0.5 2 d S T P . .
O1 O 0.000000 0.3613(3) 0.0645(6) 0.0254(17) Uani 1 2 d S T P . .
O2 O 0.2333(4) 0.4313(2) -0.0651(4) 0.0277(13) Uani 1 1 d . . . . .
O3 O 0.3551(5) 0.4746(3) 0.0891(5) 0.0354(15) Uani 1 1 d . . . . .
O4 O 0.1363(5) 0.3313(2) -0.0906(5) 0.0351(15) Uani 1 1 d . . . . .
O5 O 0.000000 0.4287(3) -0.0758(7) 0.034(2) Uani 1 2 d S T P . .
O6 O 0.2197(5) 0.3543(2) 0.0880(4) 0.0351(14) Uani 1 1 d . . . . .
O7 O 0.1202(4) 0.4647(2) 0.0754(5) 0.0325(14) Uani 1 1 d . . . . .
O8 O -0.1228(12) 0.4602(6) -0.250000 0.074(4) Uani 1 2 d S T P . .
O9 O 0.000000 0.4306(7) 0.250000 0.074(5) Uani 1 4 d S T P . .
N1 N 0.000000 0.1863(5) 0.0429(9) 0.038(3) Uani 1 2 d S T P . .
C1 C 0.000000 0.2090(11) -0.059(2) 0.128(11) Uani 1 2 d S T P . .
H1A H -0.032350 0.181981 -0.102109 0.193 Uiso 0.5 1 calc GR . . B -1
H1B H 0.073657 0.216295 -0.079405 0.193 Uiso 0.5 1 calc GR . . B -1
H1C H -0.041306 0.243169 -0.061624 0.193 Uiso 0.5 1 calc GR . . B -1
C2 C 0.000000 0.1274(7) 0.0400(19) 0.092(7) Uani 1 2 d S T P . .
H2A H -0.052538 0.114726 -0.006591 0.138 Uiso 0.5 1 calc GR . . C -1
H2B H -0.018663 0.112961 0.102674 0.138 Uiso 0.5 1 calc GR . . C -1
H2C H 0.071201 0.114264 0.022049 0.138 Uiso 0.5 1 calc GR . . C -1
C3 C 0.0993(11) 0.2093(6) 0.0852(13) 0.088(5) Uani 1 1 d . . . . .
H3A H 0.161618 0.194988 0.051220 0.132 Uiso 1 1 calc GR . . . .
H3B H 0.103626 0.198649 0.152054 0.132 Uiso 1 1 calc GR . . . .
H3C H 0.097987 0.249424 0.080301 0.132 Uiso 1 1 calc GR . . . .
O1W O 0.1767(12) 0.0911(6) 0.250000 0.082(4) Uiso 1 2 d S T P . .
O2W O 0.3054(17) 0.2435(8) 0.250000 0.124(6) Uiso 1 2 d S T P A .
O3W O 0.0470(18) 0.3163(9) 0.250000 0.167(9) Uiso 1 2 d S T P A .
O4W O 0.000000 0.0085(11) 0.250000 0.111(8) Uiso 1 4 d S T P . .
O5W O 0.383(2) 0.3844(11) 0.250000 0.173(10) Uiso 1 2 d S T P A .
O6W O 0.137(3) 0.3114(17) -0.250000 0.121(13) Uiso 0.5 2 d S T P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 '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'
O O 0.0106 0.0060 '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'
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
O5 Sb1 O5 180.0(2) . 9_565
O7 Sb1 O5 94.9(2) 11 9_565
O7 Sb1 O5 94.9(2) . 9_565
O7 Sb1 O5 85.1(2) 9_565 9_565
O7 Sb1 O5 85.1(2) 3_565 9_565
O7 Sb1 O5 85.1(2) . .
O7 Sb1 O5 94.9(2) 3_565 .
O7 Sb1 O5 94.9(2) 9_565 .
O7 Sb1 O5 85.1(2) 11 .
O7 Sb1 O7 84.6(3) . 3_565
O7 Sb1 O7 180.0 . 9_565
O7 Sb1 O7 180.0(3) 11 3_565
O7 Sb1 O7 84.6(3) 9_565 11
O7 Sb1 O7 95.4(3) 9_565 3_565
O7 Sb1 O7 95.4(3) . 11
O5 Sb2 O5 160.5(4) 10 .
O8 Sb2 O5 84.04(13) 11 10
O8 Sb2 O5 84.04(13) . 10
O8 Sb2 O5 84.04(13) 11 .
O8 Sb2 O5 84.04(13) . .
O8 Sb2 O8 104.4(9) . 11
O5 Na2 Na3 81.55(16) 10 3_565
O5 Na2 Na3 81.55(16) . 3_565
O5 Na2 O5 160.5(4) 10 .
O5 Na2 O6W 97.98(17) 10 .
O5 Na2 O6W 97.98(17) 10 11
O5 Na2 O6W 97.98(17) . .
O5 Na2 O6W 97.98(17) . 11
O8 Na2 Na3 82.2(4) . 3_565
O8 Na2 Na3 22.2(4) 11 3_565
O8 Na2 O5 84.04(13) 11 10
O8 Na2 O5 84.04(13) . .
O8 Na2 O5 84.04(13) . 10
O8 Na2 O5 84.04(13) 11 .
O8 Na2 O8 104.4(9) . 11
O8 Na2 O6W 162.8(9) 11 11
O8 Na2 O6W 92.7(9) 11 .
O8 Na2 O6W 92.7(9) . 11
O8 Na2 O6W 162.8(9) . .
O6W Na2 Na3 114.9(8) . 3_565
O6W Na2 Na3 174.9(8) 11 3_565
O6W Na2 O6W 70.1(15) 11 .
O7 Sb3 Na1 95.76(13) 10_556 .
O7 Sb3 Na1 95.76(13) . .
O7 Sb3 O7 163.6(3) . 10_556
O8 Sb3 Na1 168.1(5) 9_565 .
O8 Sb3 O7 85.57(14) 9_565 10_556
O8 Sb3 O7 85.57(14) 9_565 .
O9 Sb3 Na1 89.8(5) . .
O9 Sb3 O7 84.20(14) . 10_556
O9 Sb3 O7 84.20(14) . .
O9 Sb3 O8 102.1(6) . 9_565
Na1 Na3 Na2 170.3(2) . 9_565
O7 Na3 Na2 83.34(13) 10_556 9_565
O7 Na3 Na2 83.34(13) . 9_565
O7 Na3 Na1 95.76(13) . .
O7 Na3 Na1 95.76(13) 10_556 .
O7 Na3 O7 163.6(3) . 10_556
O8 Na3 Na2 21.6(4) 9_565 9_565
O8 Na3 Na1 168.1(5) 9_565 .
O8 Na3 O7 85.57(14) 9_565 10_556
O8 Na3 O7 85.57(14) 9_565 .
O9 Na3 Na2 80.5(5) . 9_565
O9 Na3 Na1 89.8(5) . .
O9 Na3 O7 84.20(14) . .
O9 Na3 O7 84.20(14) . 10_556
O9 Na3 O8 102.1(6) . 9_565
O1 Mo1 O5 72.9(3) . .
O1 Mo1 O7 85.4(3) . .
O2 Mo1 O1 152.9(3) . .
O2 Mo1 O5 85.2(2) . .
O2 Mo1 O7 72.6(2) . .
O4 Mo1 O1 101.0(3) . .
O4 Mo1 O2 95.2(3) . .
O4 Mo1 O5 91.2(3) . .
O4 Mo1 O6 106.0(3) . .
O4 Mo1 O7 160.0(3) . .
O5 Mo1 O7 72.4(3) . .
O6 Mo1 O1 95.9(3) . .
O6 Mo1 O2 100.3(3) . .
O6 Mo1 O5 161.2(3) . .
O6 Mo1 O7 92.0(3) . .
O2 Mo2 O2 151.9(3) 3_565 .
O2 Mo2 O7 72.7(2) 3_565 3_565
O2 Mo2 O7 84.4(2) 3_565 .
O2 Mo2 O7 72.7(2) . .
O2 Mo2 O7 84.4(2) . 3_565
O3 Mo2 O2 100.4(3) 3_565 3_565
O3 Mo2 O2 100.4(3) . .
O3 Mo2 O2 96.3(3) . 3_565
O3 Mo2 O2 96.3(3) 3_565 .
O3 Mo2 O3 106.6(4) . 3_565
O3 Mo2 O7 91.5(3) . .
O3 Mo2 O7 91.5(3) 3_565 3_565
O3 Mo2 O7 160.5(3) 3_565 .
O3 Mo2 O7 160.5(3) . 3_565
O7 Mo2 O7 71.7(3) . 3_565
O6 Na1 Sb3 72.8(4) . .
O6 Na1 Sb3 72.8(4) 10_556 .
O6 Na1 Na3 72.8(4) 10_556 .
O6 Na1 Na3 72.8(4) . .
O6 Na1 O6 145.7(7) . 10_556
O6 Na1 O3W 85.5(4) . .
O6 Na1 O3W 85.5(4) 10_556 .
O2W Na1 Sb3 178.6(8) . .
O2W Na1 Na3 178.6(8) . .
O2W Na1 O6 107.2(4) . 10_556
O2W Na1 O6 107.2(4) . .
O2W Na1 O3W 105.3(9) . .
O2W Na1 O5W 106.3(11) . .
O3W Na1 Sb3 76.0(7) . .
O3W Na1 Na3 76.0(7) . .
O5W Na1 Sb3 72.4(8) . .
O5W Na1 Na3 72.4(8) . .
O5W Na1 O6 85.3(4) . 10_556
O5W Na1 O6 85.3(4) . .
O5W Na1 O3W 148.4(11) . .
Mo1 O1 Mo1 117.6(4) 11 .
Mo2 O2 Mo1 118.3(3) . .
Sb1 O5 Sb2 131.4(4) . .
Sb1 O5 Na2 131.4(4) . .
Sb1 O5 Mo1 101.3(3) . .
Sb1 O5 Mo1 101.3(3) . 11
Mo1 O5 Sb2 111.3(3) 11 .
Mo1 O5 Sb2 111.3(3) . .
Mo1 O5 Na2 111.3(3) . .
Mo1 O5 Na2 111.3(3) 11 .
Mo1 O5 Mo1 93.4(3) . 11
Mo1 O6 Na1 147.7(5) . .
Sb1 O7 Sb3 129.7(3) . .
Sb1 O7 Na3 129.7(3) . .
Sb1 O7 Mo1 101.1(3) . .
Sb1 O7 Mo2 101.8(3) . .
Mo1 O7 Sb3 113.1(2) . .
Mo1 O7 Na3 113.1(2) . .
Mo1 O7 Mo2 92.9(2) . .
Mo2 O7 Sb3 111.6(2) . .
Mo2 O7 Na3 111.6(2) . .
Sb2 O8 Sb3 136.2(8) . 9_565
Sb3 O9 Sb3 139.0(10) . 11
C2 N1 C1 109.4(18) . .
C2 N1 C3 112.8(9) . 11
C2 N1 C3 112.8(9) . .
C3 N1 C1 103.9(11) 11 .
C3 N1 C1 103.9(11) . .
C3 N1 C3 113.2(14) . 11
N1 C1 H1A 109.5 . .
N1 C1 H1B 109.5 . .
N1 C1 H1C 109.5 . .
H1A C1 H1B 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
N1 C2 H2A 109.5 . .
N1 C2 H2B 109.5 . .
N1 C2 H2C 109.5 . .
H2A C2 H2B 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
N1 C3 H3A 109.5 . .
N1 C3 H3B 109.5 . .
N1 C3 H3C 109.5 . .
H3A C3 H3B 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
O6W O2W Na1 173(2) 13 .
O3W O3W Na1 173.7(6) 11 .
O2W O6W Na2 173(2) 13 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sb1 O5 1.998(9) .
Sb1 O5 1.998(9) 9_565
Sb1 O7 1.992(6) 9_565
Sb1 O7 1.992(6) 3_565
Sb1 O7 1.992(6) 11
Sb1 O7 1.992(6) .
Sb2 O5 2.445(10) 10
Sb2 O5 2.445(10) .
Sb2 O8 1.904(14) 11
Sb2 O8 1.904(14) .
Na2 Na3 3.581(2) 3_565
Na2 O5 2.445(10) 10
Na2 O5 2.445(10) .
Na2 O8 1.904(14) .
Na2 O8 1.904(14) 11
Na2 O6W 2.91(4) 11
Na2 O6W 2.91(4) .
Sb3 Na1 3.341(15) .
Sb3 O7 2.439(7) .
Sb3 O7 2.439(7) 10_556
Sb3 O8 1.956(15) 9_565
Sb3 O9 1.911(6) .
Na3 Na1 3.341(15) .
Na3 O7 2.439(7) .
Na3 O7 2.439(7) 10_556
Na3 O8 1.956(15) 9_565
Na3 O9 1.911(6) .
Mo1 O1 1.938(4) .
Mo1 O2 1.936(5) .
Mo1 O4 1.701(6) .
Mo1 O5 2.278(6) .
Mo1 O6 1.716(6) .
Mo1 O7 2.289(6) .
Mo2 O2 1.928(5) 3_565
Mo2 O2 1.928(5) .
Mo2 O3 1.713(6) 3_565
Mo2 O3 1.713(6) .
Mo2 O7 2.289(6) .
Mo2 O7 2.289(6) 3_565
Na1 O6 2.345(7) .
Na1 O6 2.345(7) 10_556
Na1 O2W 2.15(2) .
Na1 O3W 2.39(3) .
Na1 O5W 2.22(3) .
N1 C1 1.52(3) .
N1 C2 1.41(2) .
N1 C3 1.458(13) .
N1 C3 1.458(13) 11
C1 H1A 0.9600 .
C1 H1B 0.9600 .
C1 H1C 0.9600 .
C2 H2A 0.9600 .
C2 H2B 0.9600 .
C2 H2C 0.9600 .
C3 H3A 0.9600 .
C3 H3B 0.9600 .
C3 H3C 0.9600 .
O2W O6W 1.49(4) 13
O3W O3W 1.15(4) 11
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
O1 Mo1 O6 Na1 -19.6(9)
O2 Mo1 O6 Na1 138.7(9)
O4 Mo1 O6 Na1 -122.8(9)
O5 Mo1 O6 Na1 32.8(14)
O7 Mo1 O6 Na1 66.0(9)
