# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
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# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
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data_v9Mo
_database_code_depnum_ccdc_archive 'CCDC 1575991'
_audit_update_record             
;
2017-09-21 deposited with the CCDC.
2018-02-07 downloaded from the CCDC.
;
_audit_creation_date             2017-09-20
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2016/4
_chemical_name_common            'Mo-doped Decavanadate'
_chemical_name_systematic        NaNH4MoV9
_chemical_formula_moiety         'Mo O28 V9, H20 Na2 O10, 3(H4 N)'
_chemical_formula_sum            'H32 Mo N3 Na2 O38 V9'
_chemical_formula_weight         1282.66
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
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'
V V 0.3005 0.5294 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.7249(9)
_cell_length_b                   10.4654(11)
_cell_length_c                   11.1884(13)
_cell_angle_alpha                69.439(10)
_cell_angle_beta                 87.119(9)
_cell_angle_gamma                66.575(10)
_cell_volume                     872.93(18)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    2550
_cell_measurement_temperature    100.15
_cell_measurement_theta_max      27.3120
_cell_measurement_theta_min      2.3930
_shelx_estimated_absorpt_T_max   0.808
_shelx_estimated_absorpt_T_min   0.664
_exptl_absorpt_coefficient_mu    2.789
_exptl_absorpt_correction_T_max  0.0470
_exptl_absorpt_correction_T_min  0.0234
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0434 before and 0.0366 after correction.
The Ratio of minimum to maximum transmission is 0.4979.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear dark orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    2.440
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             628
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: Water'
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0205
_diffrn_reflns_av_unetI/netI     0.0324
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            5354
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.025
_diffrn_reflns_theta_max         25.025
_diffrn_reflns_theta_min         1.955
_diffrn_ambient_temperature      100.15(10)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2613
_reflns_number_total             3058
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.770
_refine_diff_density_min         -1.430
_refine_diff_density_rms         0.145
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     277
_refine_ls_number_reflns         3058
_refine_ls_number_restraints     24
_refine_ls_R_factor_all          0.0670
_refine_ls_R_factor_gt           0.0587
_refine_ls_restrained_S_all      1.082
_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)+(0.0915P)²+4.5452P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1742
_refine_ls_wR_factor_ref         0.1827
_refine_special_details          
'Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger'
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All N(H,H,H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Shared sites
{V1, Mo1}
{V2, Mo2}
3. Restrained distances
 O14-H14A = O14-H14B
 0.87 with sigma of 0.02
 O15-H15A = O15-H15B
 0.87 with sigma of 0.02
 O18-H18A = O18-H18B
 0.87 with sigma of 0.02
 O16-H16A = O16-H16B
 0.87 with sigma of 0.02
 N2-H2D
 1 with sigma of 0.02
 N1-H1D
 1 with sigma of 0.02
 H14A-H14B
 1.38 with sigma of 0.04
 H15A-H15B
 1.38 with sigma of 0.04
 H18A-H18B
 1.38 with sigma of 0.04
 H16A-H16B
 1.38 with sigma of 0.04
 Na1-H14A \\sim Na1-H14B
 with sigma of 0.02
 Na1-H15A \\sim Na1-H15B
 with sigma of 0.02
 Na1-H18A \\sim Na1-H18B
 with sigma of 0.02
 Na1-H16A \\sim Na1-H16B
 with sigma of 0.02
 H2D-H2A \\sim H2D-H2B \\sim H2D-H2C
 with sigma of 0.02
 H1D-H1A \\sim H1D-H1B \\sim H1D-H1C
 with sigma of 0.02
4. Uiso/Uaniso restraints and constraints
Uanis(V1) = Uanis(Mo1)
Uanis(V2) = Uanis(Mo2)
5. Others
 Fixed Sof: V1(0.75) Mo1(0.25) V2(0.75) Mo2(0.25) N1(0.75) H1A(0.75) H1B(0.75)
 H1C(0.75) N2(0.75) H2A(0.75) H2B(0.75) H2C(0.75) H2D(0.75) H1D(0.75)
6.a Riding coordinates:
 N1(H1A,H1B,H1C), N2(H2A,H2B,H2C)
6.b Rotating group:
 O17(H17A,H17B)
;
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
V1 V 0.47571(11) 0.00785(10) 0.25347(8) 0.0306(3) Uani 0.75 1 d . . P . .
Mo1 Mo 0.47571(11) 0.00785(10) 0.25347(8) 0.0306(3) Uani 0.25 1 d . . P . .
V2 V 0.37881(12) 0.28750(10) 0.49750(9) 0.0325(3) Uani 0.75 1 d . . P . .
Mo2 Mo 0.37881(12) 0.28750(10) 0.49750(9) 0.0325(3) Uani 0.25 1 d . . P . .
V3 V 0.68829(14) 0.00386(12) 0.47812(11) 0.0307(3) Uani 1 1 d . . . . .
V4 V 0.17603(15) 0.28738(14) 0.27643(12) 0.0396(4) Uani 1 1 d . . . . .
V5 V 0.5262(2) 0.29083(17) 0.23524(15) 0.0552(4) Uani 1 1 d . . . . .
Na1 Na 0.0679(4) 0.8341(3) 0.1292(3) 0.0516(8) Uani 1 1 d D . . . .
O07 O 0.4328(6) 0.1254(5) 0.3934(4) 0.0348(11) Uani 1 1 d . . . . .
O6 O 0.6818(6) -0.1144(5) 0.3814(4) 0.0345(10) Uani 1 1 d . . . . .
O9 O 0.6023(6) 0.1213(5) 0.5835(4) 0.0333(10) Uani 1 1 d . . . . .
O3 O 0.8694(6) -0.1192(6) 0.5714(5) 0.0414(12) Uani 1 1 d . . . . .
O13 O 0.7385(6) 0.1297(6) 0.3593(5) 0.0420(12) Uani 1 1 d . . . . .
O8 O 0.1735(6) 0.3643(5) 0.4065(5) 0.0418(12) Uani 1 1 d . . . . .
O7 O 0.2547(6) 0.1329(5) 0.2037(5) 0.0411(11) Uani 1 1 d . . . . .
O1 O 0.5080(7) -0.1028(6) 0.1710(5) 0.0490(13) Uani 1 1 d . . . . .
O10 O 0.5606(7) 0.1385(6) 0.1654(5) 0.0449(12) Uani 1 1 d . . . . .
O2 O 0.3409(7) 0.3810(6) 0.5928(6) 0.0512(14) Uani 1 1 d . . . . .
O12 O 0.4821(7) 0.3736(6) 0.3697(5) 0.0467(13) Uani 1 1 d . . . . .
O16 O 0.1994(8) 0.9900(7) -0.0117(6) 0.0557(15) Uani 1 1 d D . . . .
H16A H 0.286(7) 0.961(10) 0.042(6) 0.083 Uiso 1 1 d DR . . . .
H16B H 0.241(10) 0.937(8) -0.060(7) 0.083 Uiso 1 1 d DR . . . .
O11 O 0.2949(8) 0.3821(6) 0.1759(6) 0.0556(15) Uani 1 1 d . . . . .
O15 O -0.0277(8) 0.6857(8) 0.2997(7) 0.0670(18) Uani 1 1 d D . . . .
H15A H -0.112(10) 0.730(7) 0.338(10) 0.101 Uiso 1 1 d DR . . . .
H15B H -0.053(13) 0.617(9) 0.289(9) 0.101 Uiso 1 1 d DR . . . .
O4 O -0.0187(7) 0.3796(7) 0.2145(6) 0.0596(16) Uani 1 1 d . . . . .
O18 O 0.0243(9) 0.9911(8) 0.2445(8) 0.072(2) Uani 1 1 d D . . . .
H18A H 0.044(13) 1.071(7) 0.210(9) 0.107 Uiso 1 1 d DR . . . .
H18B H -0.074(7) 1.022(10) 0.274(11) 0.107 Uiso 1 1 d DR . . . .
O5 O 0.6072(8) 0.3981(7) 0.1362(6) 0.0633(16) Uani 1 1 d . . . . .
O17 O 0.0681(10) 0.6762(8) 0.0238(7) 0.079(2) Uani 1 1 d . . . . .
H17A H 0.156419 0.579485 0.057555 0.119 Uiso 1 1 d GR . . . .
H17B H 0.091857 0.707955 -0.062735 0.119 Uiso 1 1 d GR . . . .
N1 N 0.8207(9) 0.2909(8) 0.5035(7) 0.0314(16) Uani 0.75 1 d D . P . .
H1A H 0.773125 0.392134 0.478931 0.038 Uiso 0.75 1 d DR . P . .
H1B H 0.848545 0.249205 0.589951 0.038 Uiso 0.75 1 d DR . P . .
H1C H 0.914805 0.262734 0.463191 0.038 Uiso 0.75 1 d DR . P . .
O14 O 0.3386(9) 0.6851(7) 0.2456(8) 0.075(2) Uani 1 1 d D . . . .
H14A H 0.421(6) 0.713(6) 0.243(11) 0.112 Uiso 1 1 d DR . . . .
H14B H 0.380(7) 0.590(4) 0.289(11) 0.112 Uiso 1 1 d DR . . . .
N2 N 0.2742(11) 0.3306(8) -0.0752(7) 0.045(2) Uani 0.75 1 d D . P . .
H2A H 0.286752 0.293157 0.012227 0.054 Uiso 0.75 1 d DR . P . .
H2B H 0.212552 0.292997 -0.104483 0.054 Uiso 0.75 1 d DR . P . .
H2C H 0.220412 0.431927 -0.103653 0.054 Uiso 0.75 1 d DR . P . .
H2D H 0.386(3) 0.302(3) -0.107(2) 0.11(6) Uiso 0.75 1 d D . P . .
H1D H 0.740(3) 0.257(2) 0.480(2) 0.07(4) Uiso 0.75 1 d D . P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
V1 O07 2.243(4) . ?
V1 O6 2.015(5) . ?
V1 O9 2.120(5) 2_656 ?
V1 O7 1.825(5) . ?
V1 O1 1.654(5) . ?
V1 O10 1.782(5) . ?
V2 O07 2.270(4) . ?
V2 O6 2.088(5) 2_656 ?
V2 O9 2.017(5) . ?
V2 O8 1.832(5) . ?
V2 O2 1.627(5) . ?
V2 O12 1.811(5) . ?
V3 O07 2.152(5) 2_656 ?
V3 O07 2.144(5) . ?
V3 O6 1.926(5) . ?
V3 O9 1.912(5) . ?
V3 O3 1.688(5) . ?
V3 O13 1.692(5) . ?
V4 O07 2.307(5) . ?
V4 O3 2.130(5) 2_656 ?
V4 O8 1.890(5) . ?
V4 O7 1.932(5) . ?
V4 O11 1.800(6) . ?
V4 O4 1.626(6) . ?
V5 O07 2.370(5) . ?
V5 O13 2.081(6) . ?
V5 O10 1.927(5) . ?
V5 O12 1.937(6) . ?
V5 O11 1.893(6) . ?
V5 O5 1.632(7) . ?
Na1 O16 2.442(7) . ?
Na1 O16 2.399(7) 2_575 ?
Na1 O15 2.353(7) . ?
Na1 O18 2.334(7) . ?
Na1 O17 2.343(7) . ?
Na1 O14 2.379(7) . ?
O07 V3 2.152(5) 2_656 ?
O6 V2 2.088(5) 2_656 ?
O6 Mo2 2.088(5) 2_656 ?
O9 V1 2.120(5) 2_656 ?
O9 Mo1 2.120(5) 2_656 ?
O3 V4 2.130(5) 2_656 ?
O16 Na1 2.399(7) 2_575 ?

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
O6 V1 O07 76.00(18) . . ?
O6 V1 O9 74.89(18) . 2_656 ?
O9 V1 O07 74.46(18) 2_656 . ?
O7 V1 O07 80.7(2) . . ?
O7 V1 O6 153.9(2) . . ?
O7 V1 O9 87.7(2) . 2_656 ?
O1 V1 O07 170.5(2) . . ?
O1 V1 O6 99.2(2) . . ?
O1 V1 O9 96.5(2) . 2_656 ?
O1 V1 O7 102.0(3) . . ?
O1 V1 O10 104.6(3) . . ?
O10 V1 O07 83.9(2) . . ?
O10 V1 O6 92.1(2) . . ?
O10 V1 O9 156.8(2) . 2_656 ?
O10 V1 O7 97.0(2) . . ?
O6 V2 O07 74.59(18) 2_656 . ?
O9 V2 O07 75.37(18) . . ?
O9 V2 O6 75.54(19) . 2_656 ?
O8 V2 O07 80.4(2) . . ?
O8 V2 O6 87.5(2) . 2_656 ?
O8 V2 O9 153.3(2) . . ?
O2 V2 O07 170.7(2) . . ?
O2 V2 O6 96.5(2) . 2_656 ?
O2 V2 O9 99.9(2) . . ?
O2 V2 O8 102.4(3) . . ?
O2 V2 O12 105.6(3) . . ?
O12 V2 O07 82.7(2) . . ?
O12 V2 O6 155.7(2) . 2_656 ?
O12 V2 O9 90.5(2) . . ?
O12 V2 O8 97.5(2) . . ?
O07 V3 O07 78.5(2) . 2_656 ?
O6 V3 O07 80.66(19) . 2_656 ?
O6 V3 O07 80.26(19) . . ?
O9 V3 O07 80.84(18) . 2_656 ?
O9 V3 O07 80.58(18) . . ?
O9 V3 O6 155.6(2) . . ?
O3 V3 O07 87.2(2) . 2_656 ?
O3 V3 O07 165.7(2) . . ?
O3 V3 O6 97.5(2) . . ?
O3 V3 O9 97.3(2) . . ?
O3 V3 O13 106.0(3) . . ?
O13 V3 O07 88.3(2) . . ?
O13 V3 O07 166.8(2) . 2_656 ?
O13 V3 O6 97.1(2) . . ?
O13 V3 O9 97.2(2) . . ?
O3 V4 O07 73.87(18) 2_656 . ?
O8 V4 O07 78.26(19) . . ?
O8 V4 O3 82.7(2) . 2_656 ?
O8 V4 O7 153.7(2) . . ?
O7 V4 O07 76.95(19) . . ?
O7 V4 O3 82.0(2) . 2_656 ?
O11 V4 O07 84.2(2) . . ?
O11 V4 O3 158.0(2) . 2_656 ?
O11 V4 O8 94.6(2) . . ?
O11 V4 O7 91.6(2) . . ?
O4 V4 O07 168.7(3) . . ?
O4 V4 O3 94.9(3) . 2_656 ?
O4 V4 O8 100.7(3) . . ?
O4 V4 O7 101.9(3) . . ?
O4 V4 O11 107.1(3) . . ?
O13 V5 O07 74.06(18) . . ?
O10 V5 O07 77.55(19) . . ?
O10 V5 O13 84.0(2) . . ?
O10 V5 O12 154.4(2) . . ?
O12 V5 O07 77.59(19) . . ?
O12 V5 O13 83.5(2) . . ?
O11 V5 O07 80.5(2) . . ?
O11 V5 O13 154.6(2) . . ?
O11 V5 O10 90.6(2) . . ?
O11 V5 O12 91.1(3) . . ?
O5 V5 O07 174.3(3) . . ?
O5 V5 O13 100.5(3) . . ?
O5 V5 O10 103.9(3) . . ?
O5 V5 O12 100.2(3) . . ?
O5 V5 O11 104.9(3) . . ?
O16 Na1 O16 89.4(2) 2_575 . ?
O15 Na1 O16 98.3(3) . 2_575 ?
O15 Na1 O16 167.9(3) . . ?
O15 Na1 O14 85.8(3) . . ?
O18 Na1 O16 83.5(2) . . ?
O18 Na1 O16 86.3(3) . 2_575 ?
O18 Na1 O15 87.7(3) . . ?
O18 Na1 O17 170.4(3) . . ?
O18 Na1 O14 88.3(3) . . ?
O17 Na1 O16 104.3(3) . . ?
O17 Na1 O16 88.2(3) . 2_575 ?
O17 Na1 O15 85.3(3) . . ?
O17 Na1 O14 97.8(3) . . ?
O14 Na1 O16 85.7(3) . . ?
O14 Na1 O16 173.1(3) . 2_575 ?
V1 O07 V2 168.0(2) . . ?
V1 O07 V4 87.14(16) . . ?
V1 O07 V5 84.39(16) . . ?
V2 O07 V4 85.70(16) . . ?
V2 O07 V5 85.09(16) . . ?
V3 O07 V1 95.15(17) 2_656 . ?
V3 O07 V1 92.77(17) . . ?
V3 O07 V2 94.40(18) 2_656 . ?
V3 O07 V2 92.48(17) . . ?
V3 O07 V3 101.5(2) . 2_656 ?
V3 O07 V4 89.17(17) 2_656 . ?
V3 O07 V4 169.3(2) . . ?
V3 O07 V5 87.01(17) . . ?
V3 O07 V5 171.5(2) 2_656 . ?
V4 O07 V5 82.33(16) . . ?
V1 O6 V2 101.6(2) . 2_656 ?
V1 O6 Mo2 101.6(2) . 2_656 ?
Mo2 O6 V2 0.0 2_656 2_656 ?
V3 O6 V1 107.4(2) . . ?
V3 O6 V2 107.8(2) . 2_656 ?
V3 O6 Mo2 107.8(2) . 2_656 ?
Mo1 O9 V1 0.0 2_656 2_656 ?
V2 O9 V1 100.5(2) . 2_656 ?
V2 O9 Mo1 100.5(2) . 2_656 ?
V3 O9 V1 107.1(2) . 2_656 ?
V3 O9 Mo1 107.1(2) . 2_656 ?
V3 O9 V2 108.5(2) . . ?
V3 O3 V4 109.7(3) . 2_656 ?
V3 O13 V5 110.7(3) . . ?
V2 O8 V4 113.5(3) . . ?
V1 O7 V4 113.2(3) . . ?
V1 O10 V5 113.3(3) . . ?
V2 O12 V5 113.6(3) . . ?
Na1 O16 Na1 90.6(2) 2_575 . ?
V4 O11 V5 113.0(3) . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O16 H16A O1_$1 0.87(2) 2.20(2) 3.074(8) 177(8) 1_565
O16 H16B O10_$2 0.87(2) 2.10(5) 2.859(8) 146(7) 2_665
O15 H15A O6_$3 0.88(2) 2.07(3) 2.920(8) 164(8) 1_465
O18 H18A O7_$1 0.87(2) 2.17(8) 2.874(8) 137(10) 1_565
O18 H18B O13_$3 0.88(2) 2.00(3) 2.843(8) 161(7) 1_465
O17 H17A O11 0.95 1.93 2.846(9) 160.7 .
O14 H14A O2_$4 0.87(2) 2.48(6) 3.108(9) 129(7) 2_666
O14 H14B O12 0.87(2) 1.94(3) 2.805(8) 174(13) .

_olex2_diffrn_ambient_temperature_device 'Oxford Cryosystems'
_olex2_exptl_crystal_mounting_method 
'The crystal was mounted on a mylar loop with superglue'
_olex2_submission_original_sample_id V9Mo
_olex2_submission_special_instructions 'No special instructions were received'
_chemical_properties_physical    Photo-sensitive
