# Electronic Supplementary Material (ESI) for Nanoscale Advances.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# 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 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mo_zhm_3_46d8_1_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2023819'
loop_
_audit_author_name
_audit_author_address
zhm
;ZHEJIANG NORMAL UNIVERSITY
China
;
_audit_update_record             
;
2020-08-18 deposited with the CCDC.	2021-06-25 downloaded from the CCDC.
;
_audit_creation_date             2020-08-13
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.08.25 svn.r3337 for OlexSys, GUI svn.r5221)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Mn Mo8 Na6 O43, 4(O)'
_chemical_formula_sum            'Mn Mo8 Na6 O47'
_chemical_formula_weight         1712.40
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Mn Mn 0.3368 0.7283 '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'
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'

_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                   9.5413(5)
_cell_length_b                   9.8153(5)
_cell_length_c                   11.6931(6)
_cell_angle_alpha                103.743(2)
_cell_angle_beta                 101.067(2)
_cell_angle_gamma                95.735(2)
_cell_volume                     1031.70(9)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9925
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.51
_cell_measurement_theta_min      2.53
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.834
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6543
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0591 before and 0.0379 after correction.
The Ratio of minimum to maximum transmission is 0.8775.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    2.756
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             803
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0170
_diffrn_reflns_av_unetI/netI     0.0216
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            11677
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.515
_diffrn_reflns_theta_min         2.201
_diffrn_ambient_temperature      150.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4506
_reflns_number_total             4705
_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       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_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         4.484
_refine_diff_density_min         -1.894
_refine_diff_density_rms         0.352
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.115
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     278
_refine_ls_number_reflns         4705
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0416
_refine_ls_R_factor_gt           0.0393
_refine_ls_restrained_S_all      1.155
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0578P)²+11.7041P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1094
_refine_ls_wR_factor_ref         0.1173
_refine_special_details          ?
_olex2_refinement_description    
;
1. Restrained distances
 Na3-O1A
 2.7 with sigma of 0.02
 Na3-O1B
 2.7 with sigma of 0.02
2. Others
 Sof(O1B)=1-FVAR(1)
 Sof(O1A)=FVAR(1)
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     dual
_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
Mo01 Mo 0.79422(5) 0.38331(5) 0.72199(4) 0.00772(12) Uani 1 1 d . . . . .
O1A O 0.3315(18) 0.132(2) 0.5971(14) 0.025(6) Uiso 0.27(2) 1 d D . . A 1
O1B O 0.3744(11) 0.0520(11) 0.5665(9) 0.055(3) Uiso 0.73(2) 1 d D . . A 2
Mo02 Mo 0.59054(4) 0.55838(5) 0.88470(4) 0.00794(12) Uani 1 1 d . . . . .
O2 O 0.9094(5) 0.8015(5) 0.7886(4) 0.0198(9) Uani 1 1 d . . . . .
Mo03 Mo 1.14827(4) 0.59315(4) 0.97351(4) 0.00665(12) Uani 1 1 d . . . . .
Na3 Na 0.4853(4) 0.1575(4) 0.4401(3) 0.0454(8) Uani 1 1 d D . . . .
O3 O 0.6730(5) 0.0586(5) 0.0518(5) 0.0326(12) Uani 1 1 d . . . . .
Mo04 Mo 1.07464(5) 0.25380(5) 0.84715(4) 0.00881(12) Uani 1 1 d . . . . .
Mn05 Mn 1.0000 0.5000 0.5000 0.0105(2) Uani 1 2 d S T P . .
O007 O 0.5000 0.5000 1.0000 0.0124(11) Uani 1 2 d S T P . .
O008 O 1.2086(4) 0.3908(4) 0.9743(3) 0.0105(7) Uani 1 1 d . . . . .
O009 O 0.7356(4) 0.5623(4) 0.7780(3) 0.0102(7) Uani 1 1 d . . . . .
O00A O 1.2960(4) 0.6322(4) 1.1179(3) 0.0085(7) Uani 1 1 d . . . . .
O00B O 1.0612(4) 0.7416(4) 1.0095(3) 0.0101(7) Uani 1 1 d . . . . .
O00C O 0.9807(4) 0.4581(4) 0.8790(3) 0.0085(7) Uani 1 1 d . . . . .
O00D O 1.2365(4) 0.6302(4) 0.8686(4) 0.0127(7) Uani 1 1 d . . . . .
O00G O 0.5803(5) 0.7353(5) 0.9119(4) 0.0196(9) Uani 1 1 d . . . . .
O00H O 0.8974(4) 0.4344(4) 0.6276(4) 0.0138(8) Uani 1 1 d . . . . .
O00I O 0.8789(4) 0.2147(4) 0.7468(3) 0.0101(7) Uani 1 1 d . . . . .
O00J O 1.1079(5) 0.0941(4) 0.8729(4) 0.0193(9) Uani 1 1 d . . . . .
O00K O 0.3971(5) 0.3787(6) 0.4378(4) 0.0260(10) Uani 1 1 d . . . . .
O00M O 0.6388(4) 0.2873(4) 0.6273(4) 0.0144(8) Uani 1 1 d . . . . .
O00N O 0.4570(5) 0.4825(6) 0.7601(4) 0.0241(10) Uani 1 1 d . . . . .
O00O O 0.3031(5) 0.0351(5) 0.2680(5) 0.0278(11) Uani 1 1 d . . . . .
O00P O 1.1589(5) 0.2667(5) 0.7317(4) 0.0216(9) Uani 1 1 d . . . . .
O00Q O 0.5359(5) -0.1591(5) 0.1864(5) 0.0300(11) Uani 1 1 d . . . . .
O00T O 1.1981(6) 0.4353(8) 0.5849(5) 0.0479(16) Uani 1 1 d . . . . .
O00U O 0.6213(6) 0.2282(6) 0.3159(7) 0.0503(18) Uani 1 1 d . . . . .
O1 O 1.0653(6) 0.7192(6) 0.6165(5) 0.0359(12) Uani 1 1 d . . . . .
Na0A Na 0.1055(6) -0.0850(5) 0.4922(4) 0.0696(13) Uani 1 1 d . . . . .
Na1 Na 0.4738(3) 0.0493(3) 0.1444(3) 0.0381(8) Uani 1 1 d . . . . .
O0AA O 1.2843(12) 0.3195(11) 0.5873(10) 0.089(3) Uiso 1 1 d . . . . .


_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
Mo01 O009 1.902(4) . ?
Mo01 O00A 2.236(4) 2_767 ?
Mo01 O00C 2.218(4) . ?
Mo01 O00H 1.738(4) . ?
Mo01 O00I 1.970(4) . ?
Mo01 O00M 1.705(4) . ?
Mo01 Na0A 3.709(5) 2_656 ?
O1A Na3 2.602(14) . ?
O1A Na0A 2.739(18) . ?
O1B Na3 2.342(9) . ?
O1B Na3 2.558(12) 2_656 ?
O1B Na0A 2.654(11) . ?
Mo02 O007 1.8993(4) . ?
Mo02 O008 2.202(4) 2_767 ?
Mo02 O009 2.037(4) . ?
Mo02 O00A 2.250(4) 2_767 ?
Mo02 O00G 1.706(4) . ?
Mo02 O00N 1.698(4) . ?
Mo03 O008 2.124(4) . ?
Mo03 O00A 1.912(4) . ?
Mo03 O00B 1.754(4) . ?
Mo03 O00C 1.933(4) . ?
Mo03 O00C 2.418(4) 2_767 ?
Mo03 O00D 1.701(4) . ?
Na3 O1B 2.558(12) 2_656 ?
Na3 Na3 3.699(7) 2_656 ?
Na3 O00K 2.410(6) . ?
Na3 O00M 2.373(5) . ?
Na3 O00O 2.368(6) . ?
Na3 O00U 2.302(9) . ?
Na3 Na0A 4.001(7) 2_656 ?
Na3 Na1 3.344(5) . ?
O3 Na1 2.366(6) . ?
O3 Na1 2.380(6) 2_655 ?
Mo04 O008 1.905(4) . ?
Mo04 O00B 2.303(4) 2_767 ?
Mo04 O00C 2.257(4) . ?
Mo04 O00I 1.953(4) . ?
Mo04 O00J 1.713(4) . ?
Mo04 O00P 1.721(4) . ?
Mn05 O00H 2.119(4) . ?
Mn05 O00H 2.119(4) 2_766 ?
Mn05 O00T 2.187(6) . ?
Mn05 O00T 2.187(6) 2_766 ?
Mn05 O1 2.210(6) 2_766 ?
Mn05 O1 2.210(6) . ?
O007 Mo02 1.8994(4) 2_667 ?
O008 Mo02 2.202(4) 2_767 ?
O00A Mo01 2.236(4) 2_767 ?
O00A Mo02 2.250(4) 2_767 ?
O00B Mo04 2.303(4) 2_767 ?
O00C Mo03 2.418(4) 2_767 ?
O00G Na1 2.433(5) 2_666 ?
O00I Na0A 2.821(6) 2_656 ?
O00O Na1 2.391(6) . ?
O00Q Na1 2.320(6) . ?
O00U Na1 2.415(7) . ?
O1 Na0A 2.711(7) 1_665 ?
Na0A Mo01 3.709(5) 2_656 ?
Na0A Na3 4.001(7) 2_656 ?
Na0A O00I 2.821(6) 2_656 ?
Na0A O1 2.711(7) 1_445 ?
Na0A Na0A 2.746(11) 2_556 ?
Na1 O3 2.380(6) 2_655 ?
Na1 O00G 2.433(5) 2_666 ?
Na1 Na1 3.433(8) 2_655 ?

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
O009 Mo01 O00A 74.51(14) . 2_767 ?
O009 Mo01 O00C 85.67(15) . . ?
O009 Mo01 O00I 152.94(16) . . ?
O009 Mo01 Na0A 157.97(13) . 2_656 ?
O00A Mo01 Na0A 125.80(12) 2_767 2_656 ?
O00C Mo01 O00A 74.95(13) . 2_767 ?
O00C Mo01 Na0A 106.67(13) . 2_656 ?
O00H Mo01 O009 96.91(18) . . ?
O00H Mo01 O00A 163.80(16) . 2_767 ?
O00H Mo01 O00C 90.92(16) . . ?
O00H Mo01 O00I 99.82(17) . . ?
O00H Mo01 Na0A 65.40(15) . 2_656 ?
O00I Mo01 O00A 83.83(15) . 2_767 ?
O00I Mo01 O00C 72.99(14) . . ?
O00I Mo01 Na0A 48.52(13) . 2_656 ?
O00M Mo01 O009 101.88(18) . . ?
O00M Mo01 O00A 90.43(16) . 2_767 ?
O00M Mo01 O00C 161.28(17) . . ?
O00M Mo01 O00H 104.94(19) . . ?
O00M Mo01 O00I 94.18(18) . . ?
O00M Mo01 Na0A 72.23(16) . 2_656 ?
Na3 O1A Na0A 109.3(6) . . ?
Na3 O1B Na3 97.9(4) . 2_656 ?
Na3 O1B Na0A 100.3(4) 2_656 . ?
Na3 O1B Na0A 121.2(4) . . ?
O007 Mo02 O008 86.21(10) . 2_767 ?
O007 Mo02 O009 157.12(11) . . ?
O007 Mo02 O00A 85.90(9) . 2_767 ?
O008 Mo02 O00A 68.66(13) 2_767 2_767 ?
O009 Mo02 O008 81.11(15) . 2_767 ?
O009 Mo02 O00A 71.79(14) . 2_767 ?
O00G Mo02 O007 103.80(15) . . ?
O00G Mo02 O008 88.93(19) . 2_767 ?
O00G Mo02 O009 94.97(18) . . ?
O00G Mo02 O00A 155.16(18) . 2_767 ?
O00N Mo02 O007 97.95(16) . . ?
O00N Mo02 O008 164.75(19) . 2_767 ?
O00N Mo02 O009 89.88(18) . . ?
O00N Mo02 O00A 96.9(2) . 2_767 ?
O00N Mo02 O00G 104.2(2) . . ?
O008 Mo03 O00C 81.98(14) . 2_767 ?
O00A Mo03 O008 76.76(15) . . ?
O00A Mo03 O00C 76.50(14) . 2_767 ?
O00A Mo03 O00C 142.45(16) . . ?
O00B Mo03 O008 158.57(16) . . ?
O00B Mo03 O00A 99.33(17) . . ?
O00B Mo03 O00C 76.64(15) . 2_767 ?
O00B Mo03 O00C 98.13(17) . . ?
O00C Mo03 O008 74.91(15) . . ?
O00C Mo03 O00C 75.60(15) . 2_767 ?
O00D Mo03 O008 98.72(17) . . ?
O00D Mo03 O00A 104.32(17) . . ?
O00D Mo03 O00B 102.64(18) . . ?
O00D Mo03 O00C 179.02(16) . 2_767 ?
O00D Mo03 O00C 103.90(17) . . ?
O1A Na3 Na3 63.9(4) . 2_656 ?
O1A Na3 Na0A 118.0(4) . 2_656 ?
O1A Na3 Na1 140.9(4) . . ?
O1B Na3 O1B 82.1(4) . 2_656 ?
O1B Na3 Na3 38.8(2) 2_656 2_656 ?
O1B Na3 Na3 43.2(3) . 2_656 ?
O1B Na3 O00K 108.5(3) . . ?
O1B Na3 O00M 82.0(3) . . ?
O1B Na3 O00O 91.9(3) . . ?
O1B Na3 Na0A 104.8(3) . 2_656 ?
O1B Na3 Na0A 40.7(2) 2_656 2_656 ?
O1B Na3 Na1 131.3(3) . . ?
O1B Na3 Na1 79.2(2) 2_656 . ?
Na3 Na3 Na0A 68.77(13) 2_656 2_656 ?
O00K Na3 O1A 87.5(5) . . ?
O00K Na3 O1B 168.1(3) . 2_656 ?
O00K Na3 Na3 151.4(2) . 2_656 ?
O00K Na3 Na0A 128.67(18) . 2_656 ?
O00K Na3 Na1 96.89(16) . . ?
O00M Na3 O1A 76.5(4) . . ?
O00M Na3 O1B 91.4(3) . 2_656 ?
O00M Na3 Na3 85.92(16) . 2_656 ?
O00M Na3 O00K 84.96(19) . . ?
O00M Na3 Na0A 62.26(14) . 2_656 ?
O00M Na3 Na1 142.49(18) . . ?
O00O Na3 O1A 95.7(4) . . ?
O00O Na3 O1B 93.9(3) . 2_656 ?
O00O Na3 Na3 93.91(18) . 2_656 ?
O00O Na3 O00K 91.2(2) . . ?
O00O Na3 O00M 171.4(3) . . ?
O00O Na3 Na0A 125.6(2) . 2_656 ?
O00O Na3 Na1 45.63(15) . . ?
O00U Na3 O1A 168.6(5) . . ?
O00U Na3 O1B 87.2(3) . 2_656 ?
O00U Na3 O1B 169.2(4) . . ?
O00U Na3 Na3 126.0(2) . 2_656 ?
O00U Na3 O00K 82.2(2) . . ?
O00U Na3 O00M 97.6(2) . . ?
O00U Na3 O00O 89.5(2) . . ?
O00U Na3 Na0A 65.92(18) . 2_656 ?
O00U Na3 Na1 46.24(17) . . ?
Na1 Na3 Na3 106.74(17) . 2_656 ?
Na1 Na3 Na0A 89.05(12) . 2_656 ?
Na1 O3 Na1 92.7(2) . 2_655 ?
O008 Mo04 O00B 83.83(15) . 2_767 ?
O008 Mo04 O00C 72.30(15) . . ?
O008 Mo04 O00I 144.15(16) . . ?
O00C Mo04 O00B 70.71(13) . 2_767 ?
O00I Mo04 O00B 78.85(14) . 2_767 ?
O00I Mo04 O00C 72.41(14) . . ?
O00J Mo04 O008 104.27(18) . . ?
O00J Mo04 O00B 83.98(18) . 2_767 ?
O00J Mo04 O00C 154.65(18) . . ?
O00J Mo04 O00I 104.81(18) . . ?
O00J Mo04 O00P 103.8(2) . . ?
O00P Mo04 O008 97.80(19) . . ?
O00P Mo04 O00B 171.27(18) . 2_767 ?
O00P Mo04 O00C 101.53(19) . . ?
O00P Mo04 O00I 95.17(18) . . ?
O00H Mn05 O00H 180.0 . 2_766 ?
O00H Mn05 O00T 88.5(2) . . ?
O00H Mn05 O00T 88.5(2) 2_766 2_766 ?
O00H Mn05 O00T 91.5(2) 2_766 . ?
O00H Mn05 O00T 91.5(2) . 2_766 ?
O00H Mn05 O1 87.69(18) 2_766 . ?
O00H Mn05 O1 92.31(18) 2_766 2_766 ?
O00H Mn05 O1 87.69(18) . 2_766 ?
O00H Mn05 O1 92.31(18) . . ?
O00T Mn05 O00T 180.00(18) . 2_766 ?
O00T Mn05 O1 88.6(2) . 2_766 ?
O00T Mn05 O1 91.4(2) . . ?
O00T Mn05 O1 91.4(2) 2_766 2_766 ?
O00T Mn05 O1 88.6(2) 2_766 . ?
O1 Mn05 O1 180.0 2_766 . ?
Mo02 O007 Mo02 180.0 . 2_667 ?
Mo03 O008 Mo02 103.24(15) . 2_767 ?
Mo04 O008 Mo02 149.0(2) . 2_767 ?
Mo04 O008 Mo03 107.47(17) . . ?
Mo01 O009 Mo02 113.71(18) . . ?
Mo01 O00A Mo02 94.70(14) 2_767 2_767 ?
Mo03 O00A Mo01 112.09(17) . 2_767 ?
Mo03 O00A Mo02 108.87(16) . 2_767 ?
Mo03 O00B Mo04 116.88(18) . 2_767 ?
Mo01 O00C Mo03 95.88(13) . 2_767 ?
Mo01 O00C Mo04 95.52(14) . . ?
Mo03 O00C Mo01 151.9(2) . . ?
Mo03 O00C Mo03 104.40(15) . 2_767 ?
Mo03 O00C Mo04 101.48(15) . . ?
Mo04 O00C Mo03 95.74(13) . 2_767 ?
Mo02 O00G Na1 154.8(3) . 2_666 ?
Mo01 O00H Mn05 173.2(2) . . ?
Mo01 O00I Na0A 99.94(18) . 2_656 ?
Mo04 O00I Mo01 115.26(18) . . ?
Mo04 O00I Na0A 107.75(19) . 2_656 ?
Mo01 O00M Na3 156.5(2) . . ?
Na3 O00O Na1 89.3(2) . . ?
Na3 O00U Na1 90.3(2) . . ?
Mn05 O1 Na0A 113.5(2) . 1_665 ?
Mo01 Na0A Na3 62.27(10) 2_656 2_656 ?
O1A Na0A Mo01 112.5(4) . 2_656 ?
O1A Na0A Na3 58.3(4) . 2_656 ?
O1A Na0A O00I 110.2(4) . 2_656 ?
O1A Na0A Na0A 95.2(4) . 2_556 ?
O1B Na0A Mo01 93.3(3) . 2_656 ?
O1B Na0A Na3 39.0(3) . 2_656 ?
O1B Na0A O00I 97.3(3) . 2_656 ?
O1B Na0A O1 110.2(3) . 1_445 ?
O1B Na0A Na0A 115.0(4) . 2_556 ?
O00I Na0A Mo01 31.54(9) 2_656 2_656 ?
O00I Na0A Na3 81.74(16) 2_656 2_656 ?
O1 Na0A Mo01 83.66(17) 1_445 2_656 ?
O1 Na0A O1A 116.5(4) 1_445 . ?
O1 Na0A Na3 83.01(18) 1_445 2_656 ?
O1 Na0A O00I 111.3(2) 1_445 2_656 ?
O1 Na0A Na0A 108.9(3) 1_445 2_556 ?
Na0A Na0A Mo01 140.9(3) 2_556 2_656 ?
Na0A Na0A Na3 153.3(3) 2_556 2_656 ?
Na0A Na0A O00I 113.9(3) 2_556 2_656 ?
Na3 Na1 Na1 170.07(15) . 2_655 ?
O3 Na1 Na3 126.31(18) . . ?
O3 Na1 Na3 146.33(19) 2_655 . ?
O3 Na1 O3 87.3(2) . 2_655 ?
O3 Na1 O00G 87.81(18) . 2_666 ?
O3 Na1 O00G 81.88(18) 2_655 2_666 ?
O3 Na1 O00O 169.8(2) . . ?
O3 Na1 O00O 101.3(2) 2_655 . ?
O3 Na1 O00U 160.4(2) 2_655 . ?
O3 Na1 O00U 87.1(2) . . ?
O3 Na1 Na1 43.50(15) 2_655 2_655 ?
O3 Na1 Na1 43.82(15) . 2_655 ?
O00G Na1 Na3 98.98(17) 2_666 . ?
O00G Na1 Na1 82.86(16) 2_666 2_655 ?
O00O Na1 Na3 45.08(14) . . ?
O00O Na1 O00G 98.67(19) . 2_666 ?
O00O Na1 O00U 86.4(2) . . ?
O00O Na1 Na1 144.5(2) . 2_655 ?
O00Q Na1 Na3 84.81(18) . . ?
O00Q Na1 O3 87.9(2) . . ?
O00Q Na1 O3 96.4(2) . 2_655 ?
O00Q Na1 O00G 175.5(2) . 2_666 ?
O00Q Na1 O00O 85.74(19) . . ?
O00Q Na1 O00U 102.2(2) . . ?
O00Q Na1 Na1 93.0(2) . 2_655 ?
O00U Na1 Na3 43.5(2) . . ?
O00U Na1 O00G 79.2(2) . 2_666 ?
O00U Na1 Na1 128.2(2) . 2_655 ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# 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 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_zhm_b10_2_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2060052'
loop_
_audit_author_name
_audit_author_address
ZHM
;Zhejiang nomal university
China
;
_audit_update_record             
;
2021-02-01 deposited with the CCDC.	2021-06-25 downloaded from the CCDC.
;
_audit_creation_date             2021-01-27
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.08.25 svn.r3337 for OlexSys, GUI svn.r5221)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Mn Mo8 Na6 O38'
_chemical_formula_sum            'Mn Mo8 Na6 O38'
_chemical_formula_weight         1568.40
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Mn Mn 0.3368 0.7283 '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'
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'

_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                   8.4167(6)
_cell_length_b                   9.5106(6)
_cell_length_c                   10.0211(7)
_cell_angle_alpha                90.941(2)
_cell_angle_beta                 100.403(2)
_cell_angle_gamma                105.123(2)
_cell_volume                     759.95(9)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    4669
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      27.38
_cell_measurement_theta_min      2.90
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.810
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6424
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0673 before and 0.0474 after correction.
The Ratio of minimum to maximum transmission is 0.8617.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    3.427
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             731
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0242
_diffrn_reflns_av_unetI/netI     0.0348
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            7857
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.391
_diffrn_reflns_theta_min         2.223
_diffrn_ambient_temperature      295.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2863
_reflns_number_total             3409
_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       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_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    'SIR2004 (Burla et al., 2007)'
_refine_diff_density_max         2.179
_refine_diff_density_min         -1.701
_refine_diff_density_rms         0.273
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     244
_refine_ls_number_reflns         3409
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0588
_refine_ls_R_factor_gt           0.0475
_refine_ls_restrained_S_all      1.101
_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)+(0.0564P)²+11.5474P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1229
_refine_ls_wR_factor_ref         0.1377
_refine_special_details          ?
_olex2_refinement_description    
;
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     direct
_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
Mo01 Mo 0.59535(9) 1.16359(7) 0.27353(7) 0.02005(19) Uani 1 1 d . . . . .
Na1 Na -0.0866(12) 0.5312(10) 0.3130(9) 0.111(3) Uani 1 1 d . . . . .
Na0A Na -0.2650(8) 0.6459(7) -0.0265(6) 0.0736(16) Uani 1 1 d . . . . .
Mn1 Mn 0.0000 1.0000 0.0000 0.0392(6) Uani 1 2 d S T P . .
Mo02 Mo 0.36813(10) 1.11225(7) 0.50682(7) 0.02148(19) Uani 1 1 d . . . . .
O2 O 0.0447(14) 0.2015(15) 0.6392(13) 0.090(4) Uani 1 1 d . . . . .
Na2 Na -0.0342(14) 0.2757(12) 0.4976(13) 0.148(4) Uani 1 1 d . . . . .
Mo03 Mo 0.33138(10) 0.57212(8) 0.39727(8) 0.0245(2) Uani 1 1 d . . . . .
O3 O -0.0752(18) 0.5276(12) 0.1053(15) 0.123(6) Uani 1 1 d . . . . .
Mo04 Mo 0.34357(9) 0.83705(8) 0.18783(7) 0.02236(19) Uani 1 1 d . . . . .
O4 O -0.3467(16) 0.585(3) 0.1828(12) 0.150(8) Uani 1 1 d . . . . .
O00A O 0.1608(8) 0.4937(7) 0.4654(7) 0.0327(15) Uani 1 1 d . . . . .
O00B O 0.5000 0.5000 0.5000 0.033(2) Uani 1 2 d S T P . .
O00C O 0.2168(8) 0.7144(7) 0.3006(7) 0.0286(14) Uani 1 1 d . . . . .
O00E O 0.2492(8) 0.9685(6) 0.5819(6) 0.0261(13) Uani 1 1 d . . . . .
O00F O 0.7903(8) 1.2593(7) 0.2490(6) 0.0297(14) Uani 1 1 d . . . . .
O00G O 0.2221(9) 1.1850(7) 0.4153(7) 0.0302(14) Uani 1 1 d . . . . .
O00H O 0.4597(9) 1.2408(7) 0.1735(7) 0.0321(15) Uani 1 1 d . . . . .
O00I O 0.3066(10) 0.4713(8) 0.2487(7) 0.0406(18) Uani 1 1 d . . . . .
O00J O 0.1898(9) 0.9183(7) 0.1158(7) 0.0364(16) Uani 1 1 d . . . . .
O00K O 0.3478(9) 0.7116(7) 0.0661(7) 0.0331(15) Uani 1 1 d . . . . .
O00L O 0.0521(9) 1.1908(9) 0.1445(8) 0.0434(18) Uani 1 1 d . . . . .
O00N O -0.1929(13) 0.8753(10) 0.1076(12) 0.073(3) Uani 1 1 d . . . . .
O006 O 0.4676(8) 1.2461(6) 0.6601(6) 0.0245(13) Uani 1 1 d . . . . .
O6 O -0.5000 0.5000 0.0000 0.212(17) Uani 1 2 d S T P . .
O007 O 0.5857(8) 1.2477(6) 0.4456(6) 0.0251(13) Uani 1 1 d . . . . .
O008 O 0.4220(8) 0.9964(6) 0.3685(6) 0.0239(13) Uani 1 1 d . . . . .
O009 O 0.5489(7) 0.9827(6) 0.1651(6) 0.0226(12) Uani 1 1 d . . . . .


_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
Mo01 Na2 3.400(11) 1_665 ?
Mo01 O00E 2.371(6) 2_676 ?
Mo01 O00F 1.719(7) . ?
Mo01 O00H 1.702(7) . ?
Mo01 O007 1.913(6) . ?
Mo01 O008 2.214(6) . ?
Mo01 O009 1.931(6) . ?
Na1 Na1 3.882(17) 2_566 ?
Na1 Na0A 3.762(10) . ?
Na1 O2 2.499(16) 2_566 ?
Na1 Na2 3.151(14) . ?
Na1 Na2 2.494(15) 2_566 ?
Na1 Mo03 3.383(9) . ?
Na1 O3 2.101(19) . ?
Na1 O4 2.515(16) . ?
Na1 O00A 2.460(11) . ?
Na1 O00A 2.412(11) 2_566 ?
Na1 O00C 2.715(12) . ?
Na1 O00F 2.545(11) 1_445 ?
Na0A Mn1 3.496(7) . ?
Na0A O3 2.406(13) . ?
Na0A O4 2.359(14) . ?
Na0A O00H 2.473(9) 2_575 ?
Na0A O00I 2.399(10) 2_565 ?
Na0A O00L 2.529(10) 2_575 ?
Na0A O00N 2.419(12) . ?
Na0A O6 2.163(7) . ?
Mn1 Na0A 3.496(7) 2_575 ?
Mn1 O00J 2.124(7) 2_575 ?
Mn1 O00J 2.124(7) . ?
Mn1 O00L 2.202(8) 2_575 ?
Mn1 O00L 2.202(8) . ?
Mn1 O00N 2.208(8) . ?
Mn1 O00N 2.208(8) 2_575 ?
Mo02 O00E 1.740(6) . ?
Mo02 O00G 1.699(6) . ?
Mo02 O006 1.896(6) . ?
Mo02 O007 2.142(6) . ?
Mo02 O008 2.438(6) 2_676 ?
Mo02 O008 1.944(6) . ?
O2 Na1 2.499(16) 2_566 ?
O2 Na2 1.700(18) . ?
Na2 Mo01 3.400(11) 1_445 ?
Na2 Na1 2.494(15) 2_566 ?
Na2 Na2 4.15(2) 2_566 ?
Na2 Mo03 3.500(13) 2_566 ?
Na2 O00A 2.723(14) 2_566 ?
Na2 O00A 2.352(12) . ?
Na2 O00C 2.766(15) 2_566 ?
Na2 O00E 2.555(12) 2_566 ?
Na2 O00F 2.636(13) 1_445 ?
Na2 O00G 2.769(14) 1_545 ?
Mo03 Na2 3.500(13) 2_566 ?
Mo03 O00A 1.702(6) . ?
Mo03 O00B 1.8836(8) . ?
Mo03 O00C 2.021(6) . ?
Mo03 O00I 1.708(7) . ?
Mo03 O006 2.245(6) 2_676 ?
Mo03 O007 2.189(6) 2_676 ?
Mo04 O00C 1.899(6) . ?
Mo04 O00J 1.731(7) . ?
Mo04 O00K 1.703(6) . ?
Mo04 O006 2.301(6) 2_676 ?
Mo04 O008 2.228(6) . ?
Mo04 O009 1.965(6) . ?
O00A Na1 2.412(11) 2_566 ?
O00A Na2 2.723(14) 2_566 ?
O00B Mo03 1.8836(8) 2_666 ?
O00C Na2 2.766(15) 2_566 ?
O00E Mo01 2.371(6) 2_676 ?
O00E Na2 2.555(13) 2_566 ?
O00F Na1 2.545(11) 1_665 ?
O00F Na2 2.636(13) 1_665 ?
O00G Na2 2.769(14) 1_565 ?
O00H Na0A 2.473(9) 2_575 ?
O00I Na0A 2.399(10) 2_565 ?
O00L Na0A 2.529(10) 2_575 ?
O006 Mo03 2.245(6) 2_676 ?
O006 Mo04 2.301(6) 2_676 ?
O6 Na0A 2.163(7) 2_465 ?
O007 Mo03 2.189(6) 2_676 ?
O008 Mo02 2.438(6) 2_676 ?

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
O00E Mo01 Na2 48.7(2) 2_676 1_665 ?
O00F Mo01 Na2 49.7(3) . 1_665 ?
O00F Mo01 O00E 83.3(3) . 2_676 ?
O00F Mo01 O007 102.1(3) . . ?
O00F Mo01 O008 153.8(3) . . ?
O00F Mo01 O009 103.9(3) . . ?
O00H Mo01 Na2 137.9(3) . 1_665 ?
O00H Mo01 O00E 172.0(3) . 2_676 ?
O00H Mo01 O00F 104.6(3) . . ?
O00H Mo01 O007 98.1(3) . . ?
O00H Mo01 O008 101.6(3) . . ?
O00H Mo01 O009 98.3(3) . . ?
O007 Mo01 Na2 64.1(3) . 1_665 ?
O007 Mo01 O00E 80.9(2) . 2_676 ?
O007 Mo01 O008 72.7(2) . . ?
O007 Mo01 O009 144.5(2) . . ?
O008 Mo01 Na2 107.9(3) . 1_665 ?
O008 Mo01 O00E 70.6(2) . 2_676 ?
O009 Mo01 Na2 118.5(3) . 1_665 ?
O009 Mo01 O00E 78.5(2) . 2_676 ?
O009 Mo01 O008 73.2(2) . . ?
Na0A Na1 Na1 170.9(4) . 2_566 ?
O2 Na1 Na1 93.7(5) 2_566 2_566 ?
O2 Na1 Na0A 77.8(4) 2_566 . ?
O2 Na1 Na2 133.5(5) 2_566 . ?
O2 Na1 Mo03 90.9(4) 2_566 . ?
O2 Na1 O4 75.0(6) 2_566 . ?
O2 Na1 O00C 61.9(4) 2_566 . ?
O2 Na1 O00F 165.0(5) 2_566 1_445 ?
Na2 Na1 Na1 39.9(3) . 2_566 ?
Na2 Na1 Na1 54.1(3) 2_566 2_566 ?
Na2 Na1 Na0A 148.2(4) . . ?
Na2 Na1 Na0A 117.6(4) 2_566 . ?
Na2 Na1 O2 39.8(4) 2_566 2_566 ?
Na2 Na1 Na2 93.9(4) 2_566 . ?
Na2 Na1 Mo03 71.3(4) 2_566 . ?
Na2 Na1 Mo03 72.9(3) . . ?
Na2 Na1 O4 107.0(6) 2_566 . ?
Na2 Na1 O00C 64.0(4) 2_566 . ?
Na2 Na1 O00F 146.0(5) 2_566 1_445 ?
Mo03 Na1 Na1 63.6(2) . 2_566 ?
Mo03 Na1 Na0A 119.1(3) . . ?
O3 Na1 Na1 151.2(6) . 2_566 ?
O3 Na1 Na0A 36.1(4) . . ?
O3 Na1 O2 99.8(6) . 2_566 ?
O3 Na1 Na2 123.0(5) . . ?
O3 Na1 Na2 132.5(6) . 2_566 ?
O3 Na1 Mo03 90.7(5) . . ?
O3 Na1 O4 71.6(5) . . ?
O3 Na1 O00A 115.1(6) . . ?
O3 Na1 O00A 167.8(6) . 2_566 ?
O3 Na1 O00C 75.3(5) . . ?
O3 Na1 O00F 80.2(4) . 1_445 ?
O4 Na1 Na1 136.9(5) . 2_566 ?
O4 Na1 Na0A 38.0(3) . . ?
O4 Na1 Na2 131.9(6) . . ?
O4 Na1 Mo03 154.6(5) . . ?
O4 Na1 O00C 118.8(6) . . ?
O4 Na1 O00F 90.9(6) . 1_445 ?
O00A Na1 Na1 37.6(2) 2_566 2_566 ?
O00A Na1 Na1 36.7(2) . 2_566 ?
O00A Na1 Na0A 136.9(4) 2_566 . ?
O00A Na1 Na0A 147.4(4) . . ?
O00A Na1 O2 100.6(5) . 2_566 ?
O00A Na1 O2 85.3(4) 2_566 2_566 ?
O00A Na1 Na2 57.3(4) 2_566 2_566 ?
O00A Na1 Na2 66.7(4) . 2_566 ?
O00A Na1 Na2 47.6(3) . . ?
O00A Na1 Na2 56.8(3) 2_566 . ?
O00A Na1 Mo03 28.69(19) . . ?
O00A Na1 Mo03 100.3(3) 2_566 . ?
O00A Na1 O4 172.8(6) . . ?
O00A Na1 O4 99.4(5) 2_566 . ?
O00A Na1 O00A 74.3(3) 2_566 . ?
O00A Na1 O00C 62.4(3) . . ?
O00A Na1 O00C 116.7(4) 2_566 . ?
O00A Na1 O00F 92.9(4) . 1_445 ?
O00A Na1 O00F 92.0(4) 2_566 1_445 ?
O00C Na1 Na1 89.2(4) . 2_566 ?
O00C Na1 Na0A 89.6(3) . . ?
O00C Na1 Na2 109.2(4) . . ?
O00C Na1 Mo03 36.69(17) . . ?
O00F Na1 Na1 93.1(4) 1_445 2_566 ?
O00F Na1 Na0A 94.5(3) 1_445 . ?
O00F Na1 Na2 53.9(3) 1_445 . ?
O00F Na1 Mo03 104.2(3) 1_445 . ?
O00F Na1 O00C 131.6(4) 1_445 . ?
Mn1 Na0A Na1 97.6(2) . . ?
O3 Na0A Na1 30.9(5) . . ?
O3 Na0A Mn1 98.9(3) . . ?
O3 Na0A O00H 176.8(5) . 2_575 ?
O3 Na0A O00L 96.7(5) . 2_575 ?
O3 Na0A O00N 99.8(5) . . ?
O4 Na0A Na1 41.0(4) . . ?
O4 Na0A Mn1 110.7(6) . . ?
O4 Na0A O3 69.6(6) . . ?
O4 Na0A O00H 112.8(5) . 2_575 ?
O4 Na0A O00I 137.4(6) . 2_565 ?
O4 Na0A O00L 146.2(6) . 2_575 ?
O4 Na0A O00N 74.8(6) . . ?
O00H Na0A Na1 152.0(3) 2_575 . ?
O00H Na0A Mn1 82.4(2) 2_575 . ?
O00H Na0A O00L 82.4(3) 2_575 2_575 ?
O00I Na0A Na1 129.2(3) 2_565 . ?
O00I Na0A Mn1 111.9(3) 2_565 . ?
O00I Na0A O3 101.8(5) 2_565 . ?
O00I Na0A O00H 75.0(3) 2_565 2_575 ?
O00I Na0A O00L 74.5(3) 2_565 2_575 ?
O00I Na0A O00N 146.3(4) 2_565 . ?
O00L Na0A Na1 115.0(3) 2_575 . ?
O00L Na0A Mn1 38.9(2) 2_575 . ?
O00N Na0A Na1 80.0(3) . . ?
O00N Na0A Mn1 38.7(2) . . ?
O00N Na0A O00H 83.0(4) . 2_575 ?
O00N Na0A O00L 77.5(3) . 2_575 ?
O6 Na0A Na1 85.4(2) . . ?
O6 Na0A Mn1 149.1(3) . . ?
O6 Na0A O3 99.1(4) . . ?
O6 Na0A O4 53.9(4) . . ?
O6 Na0A O00H 81.1(3) . 2_575 ?
O6 Na0A O00I 88.7(3) . 2_565 ?
O6 Na0A O00L 159.0(4) . 2_575 ?
O6 Na0A O00N 113.1(3) . . ?
Na0A Mn1 Na0A 180.0(2) 2_575 . ?
O00J Mn1 Na0A 87.7(2) . . ?
O00J Mn1 Na0A 92.3(2) 2_575 . ?
O00J Mn1 Na0A 87.7(2) 2_575 2_575 ?
O00J Mn1 Na0A 92.3(2) . 2_575 ?
O00J Mn1 O00J 180.0 2_575 . ?
O00J Mn1 O00L 92.7(3) 2_575 2_575 ?
O00J Mn1 O00L 87.3(3) . 2_575 ?
O00J Mn1 O00L 87.3(3) 2_575 . ?
O00J Mn1 O00L 92.7(3) . . ?
O00J Mn1 O00N 87.7(3) . 2_575 ?
O00J Mn1 O00N 92.3(3) 2_575 2_575 ?
O00J Mn1 O00N 87.7(3) 2_575 . ?
O00J Mn1 O00N 92.3(3) . . ?
O00L Mn1 Na0A 46.1(2) 2_575 . ?
O00L Mn1 Na0A 46.1(2) . 2_575 ?
O00L Mn1 Na0A 133.9(2) . . ?
O00L Mn1 Na0A 133.9(2) 2_575 2_575 ?
O00L Mn1 O00L 180.0 2_575 . ?
O00L Mn1 O00N 89.3(3) 2_575 . ?
O00L Mn1 O00N 89.3(3) . 2_575 ?
O00L Mn1 O00N 90.7(3) . . ?
O00L Mn1 O00N 90.7(3) 2_575 2_575 ?
O00N Mn1 Na0A 136.8(3) . 2_575 ?
O00N Mn1 Na0A 43.2(3) . . ?
O00N Mn1 Na0A 43.2(3) 2_575 2_575 ?
O00N Mn1 Na0A 136.8(3) 2_575 . ?
O00N Mn1 O00N 180.0 2_575 . ?
O00E Mo02 O006 100.7(3) . . ?
O00E Mo02 O007 158.0(3) . . ?
O00E Mo02 O008 97.6(3) . . ?
O00E Mo02 O008 76.8(3) . 2_676 ?
O00G Mo02 O00E 103.5(3) . . ?
O00G Mo02 O006 104.7(3) . . ?
O00G Mo02 O007 98.2(3) . . ?
O00G Mo02 O008 102.5(3) . . ?
O00G Mo02 O008 178.2(3) . 2_676 ?
O006 Mo02 O007 77.1(2) . . ?
O006 Mo02 O008 77.0(2) . 2_676 ?
O006 Mo02 O008 142.4(3) . . ?
O007 Mo02 O008 81.4(2) . 2_676 ?
O008 Mo02 O007 73.8(2) . . ?
O008 Mo02 O008 75.6(3) . 2_676 ?
Na2 O2 Na1 69.9(7) . 2_566 ?
Mo01 Na2 Na2 99.8(4) 1_445 2_566 ?
Mo01 Na2 Mo03 70.2(2) 1_445 2_566 ?
Na1 Na2 Mo01 135.3(5) 2_566 1_445 ?
Na1 Na2 Mo01 70.2(3) . 1_445 ?
Na1 Na2 Na1 86.1(4) 2_566 . ?
Na1 Na2 Na2 49.2(3) 2_566 2_566 ?
Na1 Na2 Na2 36.8(3) . 2_566 ?
Na1 Na2 Mo03 70.5(3) . 2_566 ?
Na1 Na2 Mo03 66.3(4) 2_566 2_566 ?
Na1 Na2 O00A 56.1(4) 2_566 2_566 ?
Na1 Na2 O00C 61.9(4) 2_566 2_566 ?
Na1 Na2 O00E 145.8(6) 2_566 2_566 ?
Na1 Na2 O00F 135.9(5) 2_566 1_445 ?
Na1 Na2 O00G 109.4(5) 2_566 1_545 ?
O2 Na2 Mo01 131.4(7) . 1_445 ?
O2 Na2 Na1 70.3(6) . 2_566 ?
O2 Na2 Na1 155.6(7) . . ?
O2 Na2 Na2 119.2(8) . 2_566 ?
O2 Na2 Mo03 103.6(7) . 2_566 ?
O2 Na2 O00A 117.3(8) . 2_566 ?
O2 Na2 O00A 109.3(7) . . ?
O2 Na2 O00C 69.4(6) . 2_566 ?
O2 Na2 O00E 90.2(6) . 2_566 ?
O2 Na2 O00F 153.1(8) . 1_445 ?
O2 Na2 O00G 78.1(6) . 1_545 ?
Mo03 Na2 Na2 60.4(3) 2_566 2_566 ?
O00A Na2 Mo01 119.2(4) . 1_445 ?
O00A Na2 Mo01 80.7(3) 2_566 1_445 ?
O00A Na2 Na1 50.6(3) . . ?
O00A Na2 Na1 59.6(4) . 2_566 ?
O00A Na2 Na1 47.8(3) 2_566 . ?
O00A Na2 Na2 38.2(2) . 2_566 ?
O00A Na2 Na2 32.3(2) 2_566 2_566 ?
O00A Na2 Mo03 28.39(19) 2_566 2_566 ?
O00A Na2 Mo03 98.4(4) . 2_566 ?
O00A Na2 O00A 70.5(4) . 2_566 ?
O00A Na2 O00C 116.9(5) . 2_566 ?
O00A Na2 O00C 58.7(3) 2_566 2_566 ?
O00A Na2 O00E 154.1(6) . 2_566 ?
O00A Na2 O00F 93.2(5) . 1_445 ?
O00A Na2 O00G 75.7(4) . 1_545 ?
O00A Na2 O00G 145.8(5) 2_566 1_545 ?
O00C Na2 Mo01 87.8(3) 2_566 1_445 ?
O00C Na2 Na1 105.2(4) 2_566 . ?
O00C Na2 Na2 85.1(5) 2_566 2_566 ?
O00C Na2 Mo03 35.2(2) 2_566 2_566 ?
O00C Na2 O00G 147.4(5) 2_566 1_545 ?
O00E Na2 Mo01 44.2(2) 2_566 1_445 ?
O00E Na2 Na1 113.4(4) 2_566 . ?
O00E Na2 Na2 143.0(5) 2_566 2_566 ?
O00E Na2 Mo03 93.0(4) 2_566 2_566 ?
O00E Na2 O00A 116.1(5) 2_566 2_566 ?
O00E Na2 O00C 85.3(4) 2_566 2_566 ?
O00E Na2 O00F 64.2(3) 2_566 1_445 ?
O00E Na2 O00G 92.8(4) 2_566 1_545 ?
O00F Na2 Mo01 29.81(18) 1_445 1_445 ?
O00F Na2 Na1 51.2(3) 1_445 . ?
O00F Na2 Na2 87.5(4) 1_445 2_566 ?
O00F Na2 Mo03 86.8(3) 1_445 2_566 ?
O00F Na2 O00A 83.5(4) 1_445 2_566 ?
O00F Na2 O00C 113.9(5) 1_445 2_566 ?
O00F Na2 O00G 94.1(5) 1_445 1_545 ?
O00G Na2 Mo01 113.1(4) 1_545 1_445 ?
O00G Na2 Na1 105.5(4) 1_545 . ?
O00G Na2 Na2 113.7(5) 1_545 2_566 ?
O00G Na2 Mo03 174.0(4) 1_545 2_566 ?
Na1 Mo03 Na2 42.5(2) . 2_566 ?
O00A Mo03 Na1 44.0(3) . . ?
O00A Mo03 Na2 49.5(3) . 2_566 ?
O00A Mo03 O00B 102.5(2) . . ?
O00A Mo03 O00C 92.1(3) . . ?
O00A Mo03 O00I 105.4(4) . . ?
O00A Mo03 O006 157.1(3) . 2_676 ?
O00A Mo03 O007 91.6(3) . 2_676 ?
O00B Mo03 Na1 144.90(16) . . ?
O00B Mo03 Na2 130.2(2) . 2_566 ?
O00B Mo03 O00C 159.8(2) . . ?
O00B Mo03 O006 88.86(16) . 2_676 ?
O00B Mo03 O007 84.67(17) . 2_676 ?
O00C Mo03 Na1 53.4(2) . . ?
O00C Mo03 Na2 52.1(3) . 2_566 ?
O00C Mo03 O006 72.9(2) . 2_676 ?
O00C Mo03 O007 81.0(2) . 2_676 ?
O00I Mo03 Na1 85.4(3) . . ?
O00I Mo03 Na2 126.6(3) . 2_566 ?
O00I Mo03 O00B 97.7(3) . . ?
O00I Mo03 O00C 91.7(3) . . ?
O00I Mo03 O006 92.6(3) . 2_676 ?
O00I Mo03 O007 161.8(3) . 2_676 ?
O006 Mo03 Na1 126.1(2) 2_676 . ?
O006 Mo03 Na2 108.1(2) 2_676 2_566 ?
O007 Mo03 Na1 103.0(2) 2_676 . ?
O007 Mo03 Na2 60.6(2) 2_676 2_566 ?
O007 Mo03 O006 69.4(2) 2_676 2_676 ?
Na1 O3 Na0A 113.0(8) . . ?
O00C Mo04 O006 73.7(2) . 2_676 ?
O00C Mo04 O008 84.3(3) . . ?
O00C Mo04 O009 150.0(3) . . ?
O00J Mo04 O00C 97.3(3) . . ?
O00J Mo04 O006 163.6(3) . 2_676 ?
O00J Mo04 O008 91.6(3) . . ?
O00J Mo04 O009 101.7(3) . . ?
O00K Mo04 O00C 100.5(3) . . ?
O00K Mo04 O00J 105.3(3) . . ?
O00K Mo04 O006 90.0(3) . 2_676 ?
O00K Mo04 O008 161.6(3) . . ?
O00K Mo04 O009 96.5(3) . . ?
O008 Mo04 O006 74.1(2) . 2_676 ?
O009 Mo04 O006 81.9(2) . 2_676 ?
O009 Mo04 O008 72.3(2) . . ?
Na0A O4 Na1 101.0(5) . . ?
Na1 O00A Na1 105.7(3) 2_566 . ?
Na1 O00A Na2 75.4(4) 2_566 2_566 ?
Na1 O00A Na2 57.3(4) . 2_566 ?
Na2 O00A Na1 81.8(4) . . ?
Na2 O00A Na1 63.1(4) . 2_566 ?
Na2 O00A Na2 109.5(4) . 2_566 ?
Mo03 O00A Na1 138.2(4) . 2_566 ?
Mo03 O00A Na1 107.3(4) . . ?
Mo03 O00A Na2 146.6(5) . . ?
Mo03 O00A Na2 102.1(4) . 2_566 ?
Mo03 O00B Mo03 180.0 . 2_666 ?
Na1 O00C Na2 54.1(3) . 2_566 ?
Mo03 O00C Na1 89.9(3) . . ?
Mo03 O00C Na2 92.6(3) . 2_566 ?
Mo04 O00C Na1 144.8(4) . . ?
Mo04 O00C Na2 141.6(4) . 2_566 ?
Mo04 O00C Mo03 114.6(3) . . ?
Mo01 O00E Na2 87.2(3) 2_676 2_566 ?
Mo02 O00E Mo01 115.4(3) . 2_676 ?
Mo02 O00E Na2 136.9(4) . 2_566 ?
Mo01 O00F Na1 123.2(4) . 1_665 ?
Mo01 O00F Na2 100.5(4) . 1_665 ?
Na1 O00F Na2 74.9(4) 1_665 1_665 ?
Mo02 O00G Na2 129.4(4) . 1_565 ?
Mo01 O00H Na0A 179.3(4) . 2_575 ?
Mo03 O00I Na0A 173.2(4) . 2_565 ?
Mo04 O00J Mn1 171.4(5) . . ?
Mn1 O00L Na0A 95.0(3) . 2_575 ?
Mn1 O00N Na0A 98.1(4) . . ?
Mo02 O006 Mo03 108.9(3) . 2_676 ?
Mo02 O006 Mo04 111.9(3) . 2_676 ?
Mo03 O006 Mo04 93.0(2) 2_676 2_676 ?
Na0A O6 Na0A 180.0(5) . 2_465 ?
Mo01 O007 Mo02 106.1(3) . . ?
Mo01 O007 Mo03 150.8(3) . 2_676 ?
Mo02 O007 Mo03 102.4(2) . 2_676 ?
Mo01 O008 Mo02 97.1(2) . 2_676 ?
Mo01 O008 Mo04 94.8(2) . . ?
Mo02 O008 Mo01 102.4(3) . . ?
Mo02 O008 Mo02 104.4(3) . 2_676 ?
Mo02 O008 Mo04 150.9(3) . . ?
Mo04 O008 Mo02 96.5(2) . 2_676 ?
Mo01 O009 Mo04 114.1(3) . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
