#------------------------------------------------------------------------------
#$Date: 2020-10-06 11:38:20 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257516 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/52/7705288.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_7705288
loop_
_publ_author_name
'Qu, Di'
'Liu, Xiaoting'
'Duan, Fengxue'
'Xue, Rong'
'Li, Bao'
'Wu, Lixin'
_publ_section_title
;
 {VMo₉O₃₁[RC(CH₂O)₃]}⁶⁻:
 the first class of triol ligand covalently-decorated Keggin-type
 polyoxomolybdates.
;
_journal_issue                   37
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12950
_journal_page_last               12954
_journal_paper_doi               10.1039/d0dt02506b
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C5 H9 Mo9 O34 V, 9(H2 O), 6(N H4)'
_chemical_formula_sum            'C5 H51 Mo9 N6 O43 V'
_chemical_formula_weight         1797.92
_space_group_crystal_system      orthorhombic
_space_group_IT_number           36
_space_group_name_Hall           'C 2c -2'
_space_group_name_H-M_alt        'C m c 21'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-08-06 deposited with the CCDC.	2020-08-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.858(5)
_cell_length_b                   15.952(4)
_cell_length_c                   20.649(5)
_cell_measurement_reflns_used    9721
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.77
_cell_volume                     4565(2)
_computing_cell_refinement       'Bruker D8 Venture'
_computing_data_collection       'Bruker D8 Venture'
_computing_data_reduction        'Bruker D8 Venture'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'D8 VENTURE PHOTON II'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0234
_diffrn_reflns_av_unetI/netI     0.0176
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            28379
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.518
_diffrn_reflns_theta_min         2.772
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    2.699
_exptl_absorpt_correction_T_max  0.774
_exptl_absorpt_correction_T_min  0.720
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2014'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.616
_exptl_crystal_description       block
_exptl_crystal_F_000             3472
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.005
_refine_diff_density_min         -0.497
_refine_diff_density_rms         0.094
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.17(4)
_refine_ls_extinction_coef       0.00059(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.141
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     313
_refine_ls_number_reflns         5411
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.141
_refine_ls_R_factor_all          0.0170
_refine_ls_R_factor_gt           0.0168
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0274P)²+5.7710P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0488
_refine_ls_wR_factor_ref         0.0489
_reflns_Friedel_coverage         0.947
_reflns_Friedel_fraction_full    0.998
_reflns_Friedel_fraction_max     0.997
_reflns_number_gt                5378
_reflns_number_total             5411
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt02506b2.cif
_cod_data_source_block           mo_LXT0704_5_0m
_cod_depositor_comments
'Adding full bibliography for 7705288--7705290.cif.'
_cod_database_code               7705288
_shelx_shelxl_version_number     2014/7
_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.
;
_shelx_estimated_absorpt_t_min   0.720
_shelx_estimated_absorpt_t_max   0.774
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'
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
C1 C 0.5000 0.3955(4) 0.6257(3) 0.0213(12) Uani 1 2 d S T P . .
H1A H 0.4435 0.3903 0.6531 0.026 Uiso 0.5 1 calc R U P . .
H1B H 0.5565 0.3903 0.6531 0.026 Uiso 0.5 1 calc R U P . .
C2 C 0.5907(3) 0.3271(3) 0.5347(2) 0.0231(9) Uani 1 1 d . . . . .
H2A H 0.6469 0.3222 0.5625 0.028 Uiso 1 1 calc R U . . .
H2B H 0.5907 0.2796 0.5054 0.028 Uiso 1 1 calc R U . . .
C3 C 0.5000 0.3238(4) 0.5764(3) 0.0206(12) Uani 1 2 d S T P . .
C4 C 0.5000 0.2417(4) 0.6130(4) 0.0345(17) Uani 1 2 d S T P . .
H4A H 0.4563 0.2453 0.6490 0.052 Uiso 0.5 1 calc R U P . .
H4B H 0.5639 0.2302 0.6287 0.052 Uiso 0.5 1 calc R U P . .
H4C H 0.4799 0.1973 0.5846 0.052 Uiso 0.5 1 calc R U P . .
Mo1 Mo 0.62102(3) 0.75614(2) 0.56112(2) 0.02067(10) Uani 1 1 d . . . . .
Mo2 Mo 0.75820(3) 0.65159(2) 0.42426(2) 0.02189(9) Uani 1 1 d . . . . .
Mo3 Mo 0.63669(3) 0.56352(3) 0.30120(2) 0.02341(10) Uani 1 1 d . . . . .
Mo4 Mo 0.62823(2) 0.51796(2) 0.54827(2) 0.01641(9) Uani 1 1 d . . . . .
Mo5 Mo 0.5000 0.42198(3) 0.41774(3) 0.01795(11) Uani 1 2 d S T P . .
N1 N 1.0000 0.8849(5) 0.2078(3) 0.0367(15) Uani 1 2 d S T P . .
H1C H 1.0301 0.8772 0.1702 0.044 Uiso 0.5 1 d R U P . .
H1D H 0.9794 0.9376 0.2104 0.044 Uiso 0.5 1 d R U P . .
H1E H 1.0415 0.8743 0.2409 0.044 Uiso 0.5 1 d R U P . .
H1F H 0.9487 0.8494 0.2105 0.044 Uiso 0.5 1 d R U P . .
N2 N 0.5000 0.1628(6) 0.3367(5) 0.067(3) Uani 1 2 d S T P . .
H2C H 0.5524 0.1342 0.3481 0.081 Uiso 0.5 1 d R U P . .
H2D H 0.4476 0.1342 0.3481 0.081 Uiso 0.5 1 d R U P . .
H2E H 0.5000 0.2134 0.3569 0.081 Uiso 1 2 d R U P . .
H2F H 0.5000 0.1706 0.2930 0.081 Uiso 1 2 d R U P . .
N3 N 0.7144(4) 0.8991(3) 0.4102(3) 0.0445(13) Uani 1 1 d . . . . .
H3A H 0.6774 0.8832 0.3772 0.053 Uiso 1 1 d R U . . .
H3B H 0.7242 0.9542 0.4082 0.053 Uiso 1 1 d R U . . .
H3C H 0.7707 0.8725 0.4082 0.053 Uiso 1 1 d R U . . .
H3D H 0.6845 0.8863 0.4482 0.053 Uiso 1 1 d R U . . .
O24 O 0.5996(3) 0.0336(3) 0.5693(3) 0.0526(11) Uani 1 1 d . . . . .
H24A H 0.6079 0.0621 0.5351 0.079 Uiso 1 1 d R U . . .
H24B H 0.6019 -0.0178 0.5588 0.079 Uiso 1 1 d R U . . .
O1 O 0.5000 0.7576(3) 0.6073(2) 0.0220(9) Uani 1 2 d S T P . .
O2 O 0.6998(3) 0.7618(2) 0.62501(18) 0.0323(8) Uani 1 1 d . . . . .
O3 O 0.6164(3) 0.8575(2) 0.5326(2) 0.0334(9) Uani 1 1 d . . . . .
O4 O 0.7009(2) 0.7122(2) 0.49424(16) 0.0245(7) Uani 1 1 d . . . . .
O5 O 0.5000 0.7207(3) 0.4895(2) 0.0207(9) Uani 1 2 d S T P . .
O6 O 0.6087(2) 0.6193(2) 0.58102(15) 0.0224(6) Uani 1 1 d . . . . .
O7 O 0.8723(2) 0.6301(3) 0.4525(2) 0.0345(8) Uani 1 1 d . . . . .
O8 O 0.7761(3) 0.7361(2) 0.37461(18) 0.0344(8) Uani 1 1 d . . . . .
O9 O 0.7507(2) 0.5677(2) 0.35668(16) 0.0250(7) Uani 1 1 d . . . . .
O10 O 0.7054(2) 0.5467(2) 0.48343(15) 0.0231(6) Uani 1 1 d . . . . .
O11 O 0.6591(3) 0.6542(2) 0.25961(19) 0.0360(8) Uani 1 1 d . . . . .
O12 O 0.6737(3) 0.4867(2) 0.24972(18) 0.0353(8) Uani 1 1 d . . . . .
O13 O 0.5000 0.5588(3) 0.2899(2) 0.0279(10) Uani 1 2 d S T P . .
O14 O 0.7018(2) 0.4684(2) 0.60222(16) 0.0253(7) Uani 1 1 d . . . . .
O15 O 0.5000 0.5435(3) 0.47947(19) 0.0160(8) Uani 1 2 d S T P . .
O16 O 0.5000 0.4776(2) 0.5962(2) 0.0177(8) Uani 1 2 d S T P . .
O17 O 0.5982(2) 0.40412(18) 0.49713(15) 0.0182(6) Uani 1 1 d . . . . .
O18 O 0.4003(2) 0.64503(19) 0.38939(15) 0.0214(6) Uani 1 1 d . . . . .
O19 O 0.4029(2) 0.4659(2) 0.37360(15) 0.0239(6) Uani 1 1 d . . . . .
O20 O 0.5000 0.3182(3) 0.3988(2) 0.0295(10) Uani 1 2 d S T P . .
O21 O 0.8632(5) 0.7650(5) 0.2569(3) 0.083(2) Uani 1 1 d . . . . .
H21A H 0.8091 0.7465 0.2438 0.125 Uiso 1 1 d R U . . .
H21B H 0.8709 0.8107 0.2364 0.125 Uiso 1 1 d R U . . .
O22 O 0.5000 0.9368(16) 0.4221(11) 0.235(12) Uani 1 2 d S T P . .
H22A H 0.4499 0.9070 0.4165 0.352 Uiso 0.5 1 d R U P . .
H22B H 0.5227 0.9204 0.4582 0.352 Uiso 0.5 1 d R U P . .
O23 O 0.8974(4) 0.6761(3) 0.7906(3) 0.0675(15) Uani 1 1 d . . . . .
H23A H 0.8584 0.7041 0.7995 0.101 Uiso 1 1 d R U . . .
H23B H 0.9122 0.7166 0.7904 0.101 Uiso 1 1 d R U . . .
N4 N 0.8011(4) 0.6173(3) 0.6771(3) 0.0392(11) Uani 1 1 d . . . . .
H4D H 0.8231 0.5859 0.6447 0.047 Uiso 1 1 d R U . . .
H4E H 0.8504 0.6345 0.7013 0.047 Uiso 1 1 d R U . . .
H4F H 0.7608 0.5872 0.7013 0.047 Uiso 1 1 d R U . . .
H4G H 0.7694 0.6626 0.6608 0.047 Uiso 1 1 d R U . . .
O25 O 0.6301(10) 0.9197(7) 0.6971(6) 0.179(6) Uani 1 1 d . . . . .
H25A H 0.6917 0.8980 0.7159 0.268 Uiso 1 1 d R U . . .
H25B H 0.6297 0.8840 0.6665 0.268 Uiso 1 1 d R U . . .
V1 V 0.5000 0.64084(6) 0.43606(5) 0.0161(2) Uani 1 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'
N N 0.0061 0.0033 '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'
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
_geom_angle_publ_flag
O16 C1 C3 113.5(5) . . ?
O16 C1 H1A 108.9 . . ?
C3 C1 H1A 108.9 . . ?
O16 C1 H1B 108.9 . . ?
C3 C1 H1B 108.9 . . ?
H1A C1 H1B 107.7 . . ?
O17 C2 C3 112.9(4) . . ?
O17 C2 H2A 109.0 . . ?
C3 C2 H2A 109.0 . . ?
O17 C2 H2B 109.0 . . ?
C3 C2 H2B 109.0 . . ?
H2A C2 H2B 107.8 . . ?
C4 C3 C2 108.2(3) . . ?
C4 C3 C2 108.2(3) . 3_655 ?
C2 C3 C2 111.1(5) . 3_655 ?
C4 C3 C1 108.4(5) . . ?
C2 C3 C1 110.4(3) . . ?
C2 C3 C1 110.4(3) 3_655 . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
O2 Mo1 O3 103.75(19) . . ?
O2 Mo1 O4 101.98(16) . . ?
O3 Mo1 O4 96.86(17) . . ?
O2 Mo1 O1 99.90(17) . . ?
O3 Mo1 O1 97.19(19) . . ?
O4 Mo1 O1 150.30(15) . . ?
O2 Mo1 O6 87.64(15) . . ?
O3 Mo1 O6 168.57(16) . . ?
O4 Mo1 O6 79.48(13) . . ?
O1 Mo1 O6 81.62(16) . . ?
O2 Mo1 O5 165.74(17) . . ?
O3 Mo1 O5 89.04(18) . . ?
O4 Mo1 O5 82.38(13) . . ?
O1 Mo1 O5 71.83(14) . . ?
O6 Mo1 O5 79.76(14) . . ?
O8 Mo2 O7 103.14(19) . . ?
O8 Mo2 O4 96.60(17) . . ?
O7 Mo2 O4 103.09(17) . . ?
O8 Mo2 O9 96.91(17) . . ?
O7 Mo2 O9 98.95(18) . . ?
O4 Mo2 O9 150.71(14) . . ?
O8 Mo2 O10 168.85(16) . . ?
O7 Mo2 O10 87.99(16) . . ?
O4 Mo2 O10 80.00(13) . . ?
O9 Mo2 O10 81.76(13) . . ?
O8 Mo2 O18 89.24(16) . 3_655 ?
O7 Mo2 O18 165.73(16) . 3_655 ?
O4 Mo2 O18 82.17(13) . 3_655 ?
O9 Mo2 O18 72.16(13) . 3_655 ?
O10 Mo2 O18 79.79(12) . 3_655 ?
O12 Mo3 O11 103.90(19) . . ?
O12 Mo3 O13 101.2(2) . . ?
O11 Mo3 O13 98.8(2) . . ?
O12 Mo3 O9 98.47(17) . . ?
O11 Mo3 O9 96.79(17) . . ?
O13 Mo3 O9 151.07(17) . . ?
O12 Mo3 O19 89.42(16) . 3_655 ?
O11 Mo3 O19 166.66(16) . 3_655 ?
O13 Mo3 O19 79.05(17) . 3_655 ?
O9 Mo3 O19 80.19(13) . 3_655 ?
O12 Mo3 O18 166.15(16) . 3_655 ?
O11 Mo3 O18 87.71(16) . 3_655 ?
O13 Mo3 O18 84.12(16) . 3_655 ?
O9 Mo3 O18 72.29(13) . 3_655 ?
O19 Mo3 O18 78.98(11) 3_655 3_655 ?
O14 Mo4 O6 105.38(16) . . ?
O14 Mo4 O10 104.61(15) . . ?
O6 Mo4 O10 98.31(15) . . ?
O14 Mo4 O16 93.14(15) . . ?
O6 Mo4 O16 88.31(15) . . ?
O10 Mo4 O16 158.51(14) . . ?
O14 Mo4 O17 92.59(14) . . ?
O6 Mo4 O17 158.65(13) . . ?
O10 Mo4 O17 87.95(13) . . ?
O16 Mo4 O17 79.11(14) . . ?
O14 Mo4 O15 160.59(15) . . ?
O6 Mo4 O15 87.50(15) . . ?
O10 Mo4 O15 87.39(13) . . ?
O16 Mo4 O15 72.43(13) . . ?
O17 Mo4 O15 72.34(14) . . ?
O20 Mo5 O19 105.45(15) . . ?
O20 Mo5 O19 105.45(15) . 3_655 ?
O19 Mo5 O19 99.0(2) . 3_655 ?
O20 Mo5 O17 92.66(16) . 3_655 ?
O19 Mo5 O17 87.93(14) . 3_655 ?
O19 Mo5 O17 157.91(13) 3_655 3_655 ?
O20 Mo5 O17 92.66(16) . . ?
O19 Mo5 O17 157.91(13) . . ?
O19 Mo5 O17 87.93(14) 3_655 . ?
O17 Mo5 O17 78.53(17) 3_655 . ?
O20 Mo5 O15 160.0(2) . . ?
O19 Mo5 O15 87.28(12) . . ?
O19 Mo5 O15 87.29(12) 3_655 . ?
O17 Mo5 O15 72.04(11) 3_655 . ?
O17 Mo5 O15 72.04(11) . . ?
H1C N1 H1D 109.5 . . ?
H1C N1 H1E 109.5 . . ?
H1D N1 H1E 109.5 . . ?
H1C N1 H1F 109.5 . . ?
H1D N1 H1F 109.5 . . ?
H1E N1 H1F 109.5 . . ?
H2C N2 H2D 109.5 . . ?
H2C N2 H2E 109.5 . . ?
H2D N2 H2E 109.5 . . ?
H2C N2 H2F 109.5 . . ?
H2D N2 H2F 109.5 . . ?
H2E N2 H2F 109.5 . . ?
H3A N3 H3B 109.5 . . ?
H3A N3 H3C 109.5 . . ?
H3B N3 H3C 109.5 . . ?
H3A N3 H3D 109.5 . . ?
H3B N3 H3D 109.4 . . ?
H3C N3 H3D 109.4 . . ?
H24A O24 H24B 107.4 . . ?
Mo1 O1 Mo1 120.7(2) . 3_655 ?
Mo1 O4 Mo2 167.52(19) . . ?
V1 O5 Mo1 127.23(13) . 3_655 ?
V1 O5 Mo1 127.23(13) . . ?
Mo1 O5 Mo1 93.31(16) 3_655 . ?
Mo4 O6 Mo1 144.22(17) . . ?
Mo2 O9 Mo3 119.33(17) . . ?
Mo4 O10 Mo2 144.79(18) . . ?
Mo3 O13 Mo3 165.3(3) 3_655 . ?
V1 O15 Mo4 117.37(13) . 3_655 ?
V1 O15 Mo4 117.37(13) . . ?
Mo4 O15 Mo4 100.51(15) 3_655 . ?
V1 O15 Mo5 116.68(19) . . ?
Mo4 O15 Mo5 100.99(13) 3_655 . ?
Mo4 O15 Mo5 100.99(13) . . ?
C1 O16 Mo4 117.97(15) . 3_655 ?
C1 O16 Mo4 117.96(15) . . ?
Mo4 O16 Mo4 112.78(19) 3_655 . ?
C2 O17 Mo4 117.8(3) . . ?
C2 O17 Mo5 118.2(3) . . ?
Mo4 O17 Mo5 112.76(13) . . ?
V1 O18 Mo3 127.87(17) . 3_655 ?
V1 O18 Mo2 127.01(17) . 3_655 ?
Mo3 O18 Mo2 93.48(12) 3_655 3_655 ?
Mo5 O19 Mo3 144.04(19) . 3_655 ?
H21A O21 H21B 104.5 . . ?
H22A O22 H22B 104.5 . . ?
H23A O23 H23B 69.0 . . ?
H4D N4 H4E 109.5 . . ?
H4D N4 H4F 109.5 . . ?
H4E N4 H4F 109.5 . . ?
H4D N4 H4G 109.5 . . ?
H4E N4 H4G 109.5 . . ?
H4F N4 H4G 109.5 . . ?
H25A O25 H25B 93.5 . . ?
O5 V1 O18 110.13(13) . 3_655 ?
O5 V1 O18 110.13(13) . . ?
O18 V1 O18 110.1(2) 3_655 . ?
O5 V1 O15 109.1(2) . . ?
O18 V1 O15 108.66(13) 3_655 . ?
O18 V1 O15 108.66(13) . . ?
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
C1 O16 1.444(7) . ?
C1 C3 1.530(9) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 O17 1.457(5) . ?
C2 C3 1.524(6) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 C4 1.512(8) . ?
C3 C2 1.524(6) 3_655 ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
Mo1 O2 1.714(4) . ?
Mo1 O3 1.723(4) . ?
Mo1 O4 1.904(3) . ?
Mo1 O1 1.930(2) . ?
Mo1 O6 2.228(3) . ?
Mo1 O5 2.306(3) . ?
Mo2 O8 1.712(4) . ?
Mo2 O7 1.720(4) . ?
Mo2 O4 1.911(3) . ?
Mo2 O9 1.936(3) . ?
Mo2 O10 2.197(3) . ?
Mo2 O18 2.313(3) 3_655 ?
Mo3 O12 1.701(4) . ?
Mo3 O11 1.710(4) . ?
Mo3 O13 1.9099(9) . ?
Mo3 O9 1.953(4) . ?
Mo3 O19 2.228(3) 3_655 ?
Mo3 O18 2.296(3) 3_655 ?
Mo4 O14 1.705(3) . ?
Mo4 O6 1.773(3) . ?
Mo4 O10 1.774(3) . ?
Mo4 O16 2.134(2) . ?
Mo4 O17 2.142(3) . ?
Mo4 O15 2.311(3) . ?
Mo5 O20 1.701(5) . ?
Mo5 O19 1.770(3) . ?
Mo5 O19 1.770(3) 3_655 ?
Mo5 O17 2.149(3) 3_655 ?
Mo5 O17 2.149(3) . ?
Mo5 O15 2.319(4) . ?
N1 H1C 0.8899 . ?
N1 H1D 0.8900 . ?
N1 H1E 0.9101 . ?
N1 H1F 0.9101 . ?
N2 H2C 0.8900 . ?
N2 H2D 0.8900 . ?
N2 H2E 0.9098 . ?
N2 H2F 0.9102 . ?
N3 H3A 0.8900 . ?
N3 H3B 0.8902 . ?
N3 H3C 0.8899 . ?
N3 H3D 0.9100 . ?
O24 H24A 0.8488 . ?
O24 H24B 0.8486 . ?
O1 Mo1 1.930(2) 3_655 ?
O5 V1 1.686(4) . ?
O5 Mo1 2.306(3) 3_655 ?
O13 Mo3 1.9099(9) 3_655 ?
O15 V1 1.793(4) . ?
O15 Mo4 2.311(3) 3_655 ?
O16 Mo4 2.134(2) 3_655 ?
O18 V1 1.686(3) . ?
O18 Mo3 2.295(3) 3_655 ?
O18 Mo2 2.313(3) 3_655 ?
O19 Mo3 2.228(3) 3_655 ?
O21 H21A 0.8499 . ?
O21 H21B 0.8499 . ?
O22 H22A 0.8501 . ?
O22 H22B 0.8502 . ?
O23 H23A 0.7243 . ?
O23 H23B 0.6773 . ?
N4 H4D 0.8900 . ?
N4 H4E 0.8900 . ?
N4 H4F 0.8901 . ?
N4 H4G 0.9100 . ?
O25 H25A 1.0002 . ?
O25 H25B 0.8502 . ?
V1 O18 1.686(3) 3_655 ?
