#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:08:04 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179314 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/11/4321104.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_4321104
loop_
_publ_author_name
'Wenbin Yang'
'Xiang Lin'
'Canzhong Lu'
'Honghui Zhuang'
'Jinshun Huang'
_publ_section_title
;
 (NH4)15[H3Mo57V6(NO)6O189(H2O)12(VO)6].~60H2O: New Nanocompound Obtained
 by Chemical Embellishment of {M57V6}
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2706
_journal_page_last               2707
_journal_paper_doi               10.1021/ic991249o
_journal_volume                  39
_journal_year                    2000
_chemical_formula_moiety         'H227 Mo57 N21 O283 V12'
_chemical_formula_sum            'H227 Mo57 N21 O283 V12'
_chemical_formula_weight         11130.89
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           194
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   23.612(3)
_cell_length_b                   23.612(3)
_cell_length_c                   26.859(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      13
_cell_measurement_theta_min      11.95
_cell_volume                     12968(3)
_computing_cell_refinement       'Enraf-Nonius Molen/VAX Software'
_computing_data_collection       'Enraf-Nonius CONTROL Software'
_computing_data_reduction        'Enraf-Nonius Molen/VAX Software'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1994)'
_computing_publication_material  'SHELXTL (Sheldrick, 1994)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 1994)'
_computing_structure_solution    'SHELXTL (Sheldrick, 1994)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Enraf-Nonius CAD4 II'
_diffrn_measurement_method       ω-2θ
_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  0.0442
_diffrn_reflns_av_sigmaI/netI    0.0588
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            9173
_diffrn_reflns_theta_full        26.03
_diffrn_reflns_theta_max         26.03
_diffrn_reflns_theta_min         1.25
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 300
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.195
_exptl_absorpt_correction_T_max  0.9997
_exptl_absorpt_correction_T_min  0.9868
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, philips & Mathews, 1968)'
_exptl_crystal_colour            'Deep violet'
_exptl_crystal_density_diffrn    2.851
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'Hexangular block'
_exptl_crystal_F_000             10616
_exptl_crystal_size_max          0.65
_exptl_crystal_size_mid          0.55
_exptl_crystal_size_min          0.55
_refine_diff_density_max         1.820
_refine_diff_density_min         -2.334
_refine_diff_density_rms         0.296
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.938
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     284
_refine_ls_number_reflns         4691
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.938
_refine_ls_R_factor_all          0.0844
_refine_ls_R_factor_gt           0.0546
_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)+(0.1339P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1699
_refine_ls_wR_factor_ref         0.1877
_reflns_number_gt                3282
_reflns_number_total             4691
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic991249o.cif
_cod_data_source_block           Mo57V12
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

'_geom_bond_publ_flag'
value 'Yes' changed to 'yes' according to the built-in table from CIF
Core dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29
(64 times).

'_geom_angle_publ_flag' value 'Yes' changed to 'yes'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (132
times).

'_geom_angle_publ_flag' value 'No' changed to 'no' according
to the built-in table from CIF Core dictionary named 'cif_core.dic'
version 2.4.1 from 2010-06-29 (32 times).

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        12968(4)
_cod_database_code               4321104
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'-y, -x, -z+1/2'
'-x+y, y, -z+1/2'
'x, x-y, -z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z-1/2'
'-y, x-y, -z-1/2'
'-x+y, -x, -z-1/2'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'y, x, z-1/2'
'x-y, -y, z-1/2'
'-x, -x+y, 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Mo1 Mo 0.59796(6) -0.07908(5) 0.31096(4) 0.0353(3) Uani 1 1 d . . .
Mo2 Mo 0.95716(4) 0.21641(4) 0.31016(3) 0.0248(2) Uani 1 1 d . . .
Mo3 Mo 0.81705(4) 0.18295(4) 0.2500 0.0207(4) Uani 1 4 d S . .
Mo4 Mo 0.82105(3) 0.17895(3) 0.36995(5) 0.0227(3) Uani 1 2 d S . .
Mo5 Mo 0.66491(4) 0.07202(4) 0.38686(4) 0.0245(2) Uani 1 1 d . . .
Mo6 Mo 0.60465(6) 0.06943(6) 0.2500 0.0220(3) Uani 1 2 d S . .
Mo7 Mo 0.75150(3) 0.24850(3) 0.43211(5) 0.0219(3) Uani 1 2 d S . .
V1 V 0.57459(6) 0.14918(11) 0.42826(8) 0.0183(5) Uani 1 2 d S . .
V2 V 0.46950(8) -0.06099(16) 0.33242(13) 0.0489(8) Uani 1 2 d S . .
N N 0.8447(3) 0.1553(3) 0.4240(5) 0.033(3) Uani 1 2 d S . .
O1 O 0.5993(5) -0.0123(5) 0.2500 0.029(2) Uani 1 2 d S . .
O2 O 0.6007(5) -0.1186(5) 0.2500 0.030(2) Uani 1 2 d S . .
O3 O 0.6026(4) -0.1310(4) 0.3510(3) 0.0381(19) Uani 1 1 d . . .
O4 O 1.0263(4) 0.2953(4) 0.3043(3) 0.0348(18) Uani 1 1 d . . .
O5 O 0.6180(3) -0.0058(3) 0.3536(3) 0.0296(16) Uani 1 1 d . . .
O6 O 0.5099(4) -0.1083(4) 0.3132(3) 0.0379(19) Uani 1 1 d . . .
O7 O 0.9057(5) 0.2392(5) 0.2500 0.025(2) Uani 1 2 d S . .
O8 O 0.9153(3) 0.2524(3) 0.3535(3) 0.0243(15) Uani 1 1 d . . .
O9 O 0.8561(2) 0.1439(2) 0.3136(4) 0.026(2) Uani 1 2 d S . .
O10 O 0.9798(4) 0.1773(4) 0.3511(3) 0.040(2) Uani 1 1 d . . .
O11 O 0.9683(5) 0.1796(5) 0.2500 0.033(3) Uani 1 2 d S . .
O12 O 0.7914(2) 0.2086(2) 0.3011(4) 0.024(2) Uani 1 2 d S . .
O13 O 0.7334(3) 0.1655(3) 0.3955(3) 0.0261(15) Uani 1 1 d . . .
O14 O 0.8631(4) 0.1369(4) 0.4584(5) 0.075(5) Uani 1 2 d S . .
O15 O 0.6047(4) 0.0935(4) 0.3988(3) 0.0303(17) Uani 1 1 d . . .
O16 O 0.6744(4) 0.0446(4) 0.4426(3) 0.0376(19) Uani 1 1 d . . .
O17 O 0.6525(3) 0.1052(3) 0.3008(3) 0.0282(16) Uani 1 1 d . . .
O18 O 0.5598(3) 0.1197(7) 0.2500 0.032(3) Uani 1 4 d S . .
O19 O 0.5079(3) 0.0158(6) 0.2985(8) 0.076(5) Uani 1 2 d S . .
O20 O 0.7706(3) 0.2294(3) 0.4884(4) 0.035(3) Uani 1 2 d S . .
O21 O 0.7832(3) 0.3344(3) 0.4365(3) 0.0280(16) Uani 1 1 d . . .
O22 O 0.7311(3) 0.2689(3) 0.3456(4) 0.029(2) Uani 1 2 d S . .
O23 O 0.5600(3) 0.1199(5) 0.4835(4) 0.034(3) Uani 1 2 d S . .
O24 O 0.5968(3) 0.1936(5) 0.3451(4) 0.027(2) Uani 1 2 d S . .
O25 O 0.4757(4) -0.0485(9) 0.3987(6) 0.079(5) Uani 1 2 d S . .
O100 O 0.6667 0.3333 0.4855(14) 0.100(11) Uiso 1 6 d S . .
O101 O 0.7577(15) 0.1039(16) 0.5478(13) 0.270(15) Uiso 1 1 d . . .
O102 O 0.6518(13) 0.1044(13) 0.5463(11) 0.217(11) Uiso 1 1 d . . .
O103 O 0.7318(15) -0.1341(7) 0.3703(10) 0.157(10) Uiso 1 2 d S . .
O104 O 0.3937(10) -0.213(2) 0.2500 0.152(15) Uiso 1 4 d S . .
O105 O 0.7100(15) -0.1450(7) 0.2500 0.098(9) Uiso 1 4 d S . .
O106 O 0.2619(19) -0.2619(19) 0.2500 0.30(3) Uiso 1 4 d S . .
O107 O 0.474(2) -0.2630(12) 0.3797(19) 0.28(2) Uiso 1 2 d S . .
O108 O 0.9554(13) 0.0446(13) 0.2756(18) 0.16(2) Uiso 0.50 2 d SP . .
O109 O 0.387(2) -0.387(2) 0.439(3) 0.24(3) Uiso 0.50 2 d SP . .
O110 O 1.0715(14) 0.143(3) 0.268(2) 0.19(3) Uiso 0.50 2 d SP . .
0111 O 0.333(3) -0.458(3) 0.426(3) 0.28(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
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'
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'
N N 0.0061 0.0033 '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
O3 Mo1 O6 100.3(4) . . yes
O3 Mo1 O2 99.4(4) . . yes
O6 Mo1 O2 98.9(4) . . yes
O3 Mo1 O5 101.4(4) . . yes
O6 Mo1 O5 92.4(3) . . yes
O2 Mo1 O5 154.1(4) . . yes
O3 Mo1 O4 89.5(4) . 19_665 yes
O6 Mo1 O4 169.0(3) . 19_665 yes
O2 Mo1 O4 84.1(4) . 19_665 yes
O5 Mo1 O4 80.9(3) . 19_665 yes
O3 Mo1 O1 172.6(4) . . yes
O6 Mo1 O1 84.5(4) . . yes
O2 Mo1 O1 74.2(3) . . yes
O5 Mo1 O1 83.9(3) . . yes
O4 Mo1 O1 86.2(3) 19_665 . yes
O10 Mo2 O4 104.9(4) . . yes
O10 Mo2 O11 98.5(4) . . yes
O4 Mo2 O11 98.0(4) . . yes
O10 Mo2 O8 102.4(4) . . yes
O4 Mo2 O8 89.8(3) . . yes
O11 Mo2 O8 154.9(3) . . yes
O10 Mo2 O9 93.8(4) . . yes
O4 Mo2 O9 157.5(3) . . yes
O11 Mo2 O9 91.4(4) . . yes
O8 Mo2 O9 73.8(3) . . yes
O10 Mo2 O7 163.7(4) . . yes
O4 Mo2 O7 90.5(4) . . yes
O11 Mo2 O7 73.4(3) . . yes
O8 Mo2 O7 82.8(3) . . yes
O9 Mo2 O7 72.6(4) . . yes
O12 Mo3 O12 105.2(6) . 16_556 yes
O12 Mo3 O7 102.68(19) . . yes
O12 Mo3 O7 102.68(19) 16_556 . yes
O12 Mo3 O7 102.68(19) . 19_665 yes
O12 Mo3 O7 102.68(19) 16_556 19_665 yes
O7 Mo3 O7 137.6(6) . 19_665 yes
O12 Mo3 O9 80.5(4) . . yes
O12 Mo3 O9 174.3(4) 16_556 . yes
O7 Mo3 O9 75.7(2) . . yes
O7 Mo3 O9 75.7(2) 19_665 . yes
O12 Mo3 O9 174.3(4) . 16_556 yes
O12 Mo3 O9 80.5(4) 16_556 16_556 yes
O7 Mo3 O9 75.7(2) . 16_556 yes
O7 Mo3 O9 75.7(2) 19_665 16_556 yes
O9 Mo3 O9 93.8(5) . 16_556 yes
N Mo4 O13 97.6(4) . . yes
N Mo4 O13 97.6(4) . 19_665 yes
O13 Mo4 O13 71.3(4) . 19_665 yes
N Mo4 O8 93.6(2) . 19_665 yes
O13 Mo4 O8 70.6(3) . 19_665 yes
O13 Mo4 O8 141.3(3) 19_665 19_665 yes
N Mo4 O8 93.6(2) . . yes
O13 Mo4 O8 141.3(3) . . yes
O13 Mo4 O8 70.6(3) 19_665 . yes
O8 Mo4 O8 145.5(4) 19_665 . yes
N Mo4 O9 102.9(5) . . yes
O13 Mo4 O9 138.8(2) . . yes
O13 Mo4 O9 138.8(2) 19_665 . yes
O8 Mo4 O9 72.76(19) 19_665 . yes
O8 Mo4 O9 72.76(19) . . yes
N Mo4 O12 179.6(6) . . yes
O13 Mo4 O12 82.8(3) . . yes
O13 Mo4 O12 82.8(3) 19_665 . yes
O8 Mo4 O12 86.3(2) 19_665 . yes
O8 Mo4 O12 86.3(2) . . yes
O9 Mo4 O12 76.7(4) . . yes
O16 Mo5 O15 103.2(4) . . yes
O16 Mo5 O5 100.2(4) . . yes
O15 Mo5 O5 102.0(3) . . yes
O16 Mo5 O13 97.5(3) . . yes
O15 Mo5 O13 89.1(3) . . yes
O5 Mo5 O13 156.3(3) . . yes
O16 Mo5 O8 98.4(3) . 19_665 yes
O15 Mo5 O8 153.3(3) . 19_665 yes
O5 Mo5 O8 89.3(3) . 19_665 yes
O13 Mo5 O8 72.5(3) . 19_665 yes
O16 Mo5 O17 175.0(3) . . yes
O15 Mo5 O17 80.8(3) . . yes
O5 Mo5 O17 76.0(3) . . yes
O13 Mo5 O17 85.3(3) . . yes
O8 Mo5 O17 78.5(3) 19_665 . yes
O17 Mo6 O17 106.5(5) . 16_556 yes
O17 Mo6 O1 101.4(3) . . yes
O17 Mo6 O1 101.4(3) 16_556 . yes
O17 Mo6 O18 97.2(3) . . ?
O17 Mo6 O18 97.2(3) 16_556 . yes
O1 Mo6 O18 148.5(5) . . yes
O17 Mo6 O19 158.2(5) . 16_556 yes
O17 Mo6 O19 92.7(5) 16_556 16_556 yes
O1 Mo6 O19 84.2(4) . 16_556 yes
O18 Mo6 O19 69.7(4) . 16_556 yes
O17 Mo6 O19 92.7(5) . . yes
O17 Mo6 O19 158.2(5) 16_556 . yes
O1 Mo6 O19 84.2(4) . . yes
O18 Mo6 O19 69.7(4) . . yes
O19 Mo6 O19 66.6(9) 16_556 . yes
O20 Mo7 O21 103.1(3) . . yes
O20 Mo7 O21 103.1(3) . 19_665 yes
O21 Mo7 O21 102.5(5) . 19_665 yes
O20 Mo7 O13 97.5(4) . 19_665 yes
O21 Mo7 O13 88.9(3) . 19_665 yes
O21 Mo7 O13 153.4(3) 19_665 19_665 yes
O20 Mo7 O13 97.5(4) . . yes
O21 Mo7 O13 153.4(3) . . yes
O21 Mo7 O13 88.9(3) 19_665 . yes
O13 Mo7 O13 71.7(4) 19_665 . yes
O20 Mo7 O22 172.4(4) . . yes
O21 Mo7 O22 81.5(3) . . yes
O21 Mo7 O22 81.5(3) 19_665 . yes
O13 Mo7 O22 76.5(3) 19_665 . yes
O13 Mo7 O22 76.5(3) . . yes
O23 V1 O21 99.2(4) . 19_665 yes
O23 V1 O21 99.2(4) . 3_665 yes
O21 V1 O21 88.0(4) 19_665 3_665 yes
O23 V1 O15 99.1(4) . 20_655 yes
O21 V1 O15 161.7(3) 19_665 20_655 yes
O21 V1 O15 88.5(3) 3_665 20_655 yes
O23 V1 O15 99.1(4) . . yes
O21 V1 O15 88.5(3) 19_665 . yes
O21 V1 O15 161.7(3) 3_665 . yes
O15 V1 O15 89.2(4) 20_655 . yes
O23 V1 O24 179.8(6) . . yes
O21 V1 O24 80.7(3) 19_665 . yes
O21 V1 O24 80.7(3) 3_665 . yes
O15 V1 O24 81.0(3) 20_655 . yes
O15 V1 O24 81.0(3) . . yes
O25 V2 O19 111.9(9) . . yes
O25 V2 O6 110.3(4) . 20_655 yes
O19 V2 O6 108.0(4) . 20_655 yes
O25 V2 O6 110.3(4) . . yes
O19 V2 O6 108.0(4) . . yes
O6 V2 O6 108.2(5) 20_655 . yes
O14 N Mo4 174.4(14) . . no
Mo6 O1 Mo1 133.60(19) . . no
Mo6 O1 Mo1 133.60(19) . 16_556 no
Mo1 O1 Mo1 92.7(4) . 16_556 no
Mo1 O2 Mo1 118.8(5) . 16_556 no
Mo2 O4 Mo1 154.3(4) . 19_665 no
Mo5 O5 Mo1 160.6(4) . . no
Mo1 O6 V2 127.3(4) . . no
Mo3 O7 Mo2 112.7(3) . 16_556 no
Mo3 O7 Mo2 112.7(3) . . no
Mo2 O7 Mo2 92.2(3) 16_556 . no
Mo2 O8 Mo5 144.1(4) . 19_665 no
Mo2 O8 Mo4 109.0(3) . . no
Mo5 O8 Mo4 106.9(3) 19_665 . no
Mo4 O9 Mo2 102.7(3) . 19_665 no
Mo4 O9 Mo2 102.7(3) . . no
Mo2 O9 Mo2 147.9(5) 19_665 . no
Mo4 O9 Mo3 93.4(4) . . no
Mo2 O9 Mo3 98.9(3) 19_665 . no
Mo2 O9 Mo3 98.9(3) . . no
Mo2 O11 Mo2 115.2(5) 16_556 . no
Mo3 O12 Mo4 109.4(4) . . no
Mo5 O13 Mo7 141.7(4) . . no
Mo5 O13 Mo4 109.3(3) . . no
Mo7 O13 Mo4 107.6(3) . . no
Mo5 O15 V1 152.6(4) . . no
Mo6 O17 Mo5 137.5(4) . . no
Mo6 O18 Mo6 116.2(7) . 20_655 no
V2 O19 Mo6 132.5(3) . . no
V2 O19 Mo6 132.5(3) . 20_655 no
Mo6 O19 Mo6 88.2(6) . 20_655 yes
Mo7 O21 V1 153.7(4) . 2_655 no
0111 O109 0111 143(9) . 19 no
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 O3 1.676(8) . yes
Mo1 O6 1.834(8) . yes
Mo1 O2 1.902(5) . yes
Mo1 O5 1.926(7) . yes
Mo1 O4 2.189(8) 19_665 yes
Mo1 O1 2.263(7) . yes
Mo2 O10 1.684(7) . yes
Mo2 O4 1.766(8) . yes
Mo2 O11 1.914(6) . yes
Mo2 O8 1.972(7) . yes
Mo2 O9 2.132(3) . yes
Mo2 O7 2.243(7) . yes
Mo3 O12 1.727(10) . yes
Mo3 O12 1.727(10) 16_556 yes
Mo3 O7 1.834(10) . yes
Mo3 O7 1.834(9) 19_665 yes
Mo3 O9 2.339(10) . yes
Mo3 O9 2.339(10) 16_556 yes
Mo4 N 1.743(13) . yes
Mo4 O13 2.048(7) . yes
Mo4 O13 2.048(7) 19_665 yes
Mo4 O8 2.073(7) 19_665 yes
Mo4 O8 2.073(7) . yes
Mo4 O9 2.086(10) . yes
Mo4 O12 2.212(9) . yes
Mo5 O16 1.690(8) . yes
Mo5 O15 1.762(7) . yes
Mo5 O5 1.835(7) . yes
Mo5 O13 1.992(7) . yes
Mo5 O8 2.031(7) 19_665 yes
Mo5 O17 2.504(7) . yes
Mo6 O17 1.702(7) . yes
Mo6 O17 1.702(7) 16_556 yes
Mo6 O1 1.869(10) . yes
Mo6 O18 1.945(7) . yes
Mo6 O19 2.372(13) 16_556 yes
Mo6 O19 2.372(13) . yes
Mo7 O20 1.703(10) . yes
Mo7 O21 1.779(7) . yes
Mo7 O21 1.779(7) 19_665 yes
Mo7 O13 2.039(7) 19_665 yes
Mo7 O13 2.039(7) . yes
Mo7 O22 2.470(10) . yes
V1 O23 1.601(9) . yes
V1 O21 1.946(7) 19_665 yes
V1 O21 1.946(7) 3_665 yes
V1 O15 1.947(7) 20_655 yes
V1 O15 1.947(7) . yes
V1 O24 2.412(11) . yes
V2 O25 1.799(17) . yes
V2 O19 1.816(16) . yes
V2 O6 1.869(9) 20_655 yes
V2 O6 1.869(9) . yes
N O14 1.194(18) . yes
O1 Mo1 2.263(7) 16_556 yes
O2 Mo1 1.902(5) 16_556 yes
O4 Mo1 2.189(8) 19_665 yes
O7 Mo2 2.243(7) 16_556 yes
O8 Mo5 2.031(7) 19_665 yes
O9 Mo2 2.132(3) 19_665 yes
O11 Mo2 1.914(6) 16_556 yes
O18 Mo6 1.945(7) 20_655 yes
O19 Mo6 2.372(13) 20_655 yes
O21 V1 1.946(7) 2_655 yes
O108 O108 1.37(10) 16_556 no
O109 0111 1.56(7) . no
O109 0111 1.56(7) 19 no
O110 O110 0.96(13) 16_556 no
