# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 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_0522_5_0ma
_database_code_depnum_ccdc_archive 'CCDC 2116106'
loop_
_audit_author_name
_audit_author_address
'yunqiao Guo'
;Sichuan Normal University
China
;
_audit_update_record             
;
2021-10-17 deposited with the CCDC.	2021-11-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C2 Cs4 Mo2 O12'
_chemical_formula_weight         939.54

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cs Cs -0.3680 2.1192 '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'
C C 0.0033 0.0016 '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'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   Pnma

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z'
'-x-1/2, y-1/2, z-1/2'

_cell_length_a                   7.9691(5)
_cell_length_b                   6.4103(3)
_cell_length_c                   14.2031(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     725.56(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    5525
_cell_measurement_theta_min      2.87
_cell_measurement_theta_max      26.33

_exptl_crystal_description       rodlike
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    4.301
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             824
_exptl_absorpt_coefficient_mu    11.669
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            9961
_diffrn_reflns_av_R_equivalents  0.0350
_diffrn_reflns_av_sigmaI/netI    0.0154
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.87
_diffrn_reflns_theta_max         26.38
_reflns_number_total             803
_reflns_number_gt                756
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0717P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    .
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         803
_refine_ls_number_parameters     55
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0327
_refine_ls_R_factor_gt           0.0305
_refine_ls_wR_factor_ref         0.0814
_refine_ls_wR_factor_gt          0.0790
_refine_ls_goodness_of_fit_ref   0.988
_refine_ls_restrained_S_all      0.988
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Cs1 Cs 0.66648(5) 0.2500 0.31450(3) 0.02163(19) Uani 1 2 d S . .
Cs2 Cs 0.66406(6) 0.2500 1.01929(3) 0.0247(2) Uani 1 2 d S . .
Mo1 Mo 0.52876(7) 0.2500 0.75945(4) 0.0173(2) Uani 1 2 d S . .
O1 O 0.6285(4) 0.4212(5) 0.6403(2) 0.0227(7) Uani 1 1 d . . .
O2 O 0.5346(4) 0.4671(6) 0.8326(2) 0.0220(8) Uani 1 1 d . . .
O3 O 0.3221(6) 0.2500 0.7157(4) 0.0217(10) Uani 1 2 d S . .
O4 O 0.7447(6) 0.2500 0.5179(3) 0.0270(11) Uani 1 2 d S . .
C1 C 0.6705(8) 0.2500 0.5951(5) 0.0212(14) Uani 1 2 d S . .


_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
Cs1 O4 2.956(5) . ?
Cs1 O2 3.005(4) 2_664 ?
Cs1 O2 3.005(4) 8_755 ?
Cs1 O2 3.197(4) 3_646 ?
Cs1 O2 3.197(4) 5_666 ?
Cs1 O1 3.222(3) 3_646 ?
Cs1 O1 3.222(3) 5_666 ?
Cs1 O3 3.2350(7) 5_656 ?
Cs1 O3 3.2350(7) 5_666 ?
Cs1 O1 3.638(3) 8_755 ?
Cs1 O1 3.638(3) 2_664 ?
Cs1 Mo1 3.7144(4) 5_656 ?
Cs2 O2 3.167(3) 7_565 ?
Cs2 O2 3.167(3) . ?
Cs2 O1 3.182(3) 2_665 ?
Cs2 O1 3.182(3) 8_756 ?
Cs2 O2 3.197(3) 5_667 ?
Cs2 O2 3.197(3) 3_647 ?
Cs2 O4 3.2866(12) 2_665 ?
Cs2 O4 3.2866(12) 2_655 ?
Cs2 O4 3.383(5) 6_557 ?
Cs2 O3 3.567(5) 6_657 ?
Cs2 C1 3.629(3) 2_665 ?
Cs2 C1 3.629(3) 2_655 ?
Mo1 O2 1.738(3) . ?
Mo1 O2 1.738(3) 7_565 ?
Mo1 O3 1.761(5) . ?
Mo1 O1 2.168(3) 7_565 ?
Mo1 O1 2.168(3) . ?
Mo1 O3 2.364(5) 6_657 ?
Mo1 C1 2.593(7) . ?
Mo1 Cs1 3.7144(4) 5_656 ?
Mo1 Cs1 3.7144(4) 5_666 ?
Mo1 Cs1 4.0967(5) 2_665 ?
Mo1 Cs1 4.0967(5) 2_655 ?
O1 C1 1.314(5) . ?
O1 Cs2 3.182(3) 2_664 ?
O1 Cs1 3.222(3) 5_666 ?
O1 Cs1 3.638(3) 2_665 ?
O2 Cs1 3.005(4) 2_665 ?
O2 Cs2 3.197(3) 5_667 ?
O2 Cs1 3.197(4) 5_666 ?
O3 Mo1 2.364(5) 6_557 ?
O3 Cs1 3.2349(7) 5_656 ?
O3 Cs1 3.2349(7) 5_666 ?
O3 Cs2 3.567(5) 6_557 ?
O4 C1 1.246(9) . ?
O4 Cs2 3.2866(11) 2_664 ?
O4 Cs2 3.2866(11) 2_654 ?
O4 Cs2 3.383(5) 6_657 ?
C1 O1 1.314(5) 7_565 ?
C1 Cs2 3.629(3) 2_664 ?
C1 Cs2 3.629(3) 2_654 ?

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
O4 Cs1 O2 75.47(10) . 2_664 ?
O4 Cs1 O2 75.47(10) . 8_755 ?
O2 Cs1 O2 74.24(14) 2_664 8_755 ?
O4 Cs1 O2 138.12(8) . 3_646 ?
O2 Cs1 O2 142.71(7) 2_664 3_646 ?
O2 Cs1 O2 96.38(10) 8_755 3_646 ?
O4 Cs1 O2 138.12(8) . 5_666 ?
O2 Cs1 O2 96.38(10) 2_664 5_666 ?
O2 Cs1 O2 142.71(7) 8_755 5_666 ?
O2 Cs1 O2 69.09(12) 3_646 5_666 ?
O4 Cs1 O1 87.65(10) . 3_646 ?
O2 Cs1 O1 162.95(9) 2_664 3_646 ?
O2 Cs1 O1 99.58(9) 8_755 3_646 ?
O2 Cs1 O1 52.68(9) 3_646 3_646 ?
O2 Cs1 O1 97.80(9) 5_666 3_646 ?
O4 Cs1 O1 87.65(9) . 5_666 ?
O2 Cs1 O1 99.58(9) 2_664 5_666 ?
O2 Cs1 O1 162.95(9) 8_755 5_666 ?
O2 Cs1 O1 97.80(9) 3_646 5_666 ?
O2 Cs1 O1 52.68(9) 5_666 5_666 ?
O1 Cs1 O1 81.72(12) 3_646 5_666 ?
O4 Cs1 O3 97.10(9) . 5_656 ?
O2 Cs1 O3 125.93(11) 2_664 5_656 ?
O2 Cs1 O3 52.49(11) 8_755 5_656 ?
O2 Cs1 O3 50.63(11) 3_646 5_656 ?
O2 Cs1 O3 119.30(11) 5_666 5_656 ?
O1 Cs1 O3 53.05(11) 3_646 5_656 ?
O1 Cs1 O3 134.04(10) 5_666 5_656 ?
O4 Cs1 O3 97.10(9) . 5_666 ?
O2 Cs1 O3 52.49(11) 2_664 5_666 ?
O2 Cs1 O3 125.93(11) 8_755 5_666 ?
O2 Cs1 O3 119.30(11) 3_646 5_666 ?
O2 Cs1 O3 50.63(11) 5_666 5_666 ?
O1 Cs1 O3 134.04(10) 3_646 5_666 ?
O1 Cs1 O3 53.05(11) 5_666 5_666 ?
O3 Cs1 O3 164.43(18) 5_656 5_666 ?
O4 Cs1 O1 124.76(9) . 8_755 ?
O2 Cs1 O1 92.98(8) 2_664 8_755 ?
O2 Cs1 O1 49.66(8) 8_755 8_755 ?
O2 Cs1 O1 56.77(8) 3_646 8_755 ?
O2 Cs1 O1 96.26(8) 5_666 8_755 ?
O1 Cs1 O1 94.83(9) 3_646 8_755 ?
O1 Cs1 O1 147.38(6) 5_666 8_755 ?
O3 Cs1 O1 47.41(10) 5_656 8_755 ?
O3 Cs1 O1 118.11(10) 5_666 8_755 ?
O4 Cs1 O1 124.76(9) . 2_664 ?
O2 Cs1 O1 49.66(8) 2_664 2_664 ?
O2 Cs1 O1 92.98(8) 8_755 2_664 ?
O2 Cs1 O1 96.26(8) 3_646 2_664 ?
O2 Cs1 O1 56.77(8) 5_666 2_664 ?
O1 Cs1 O1 147.38(6) 3_646 2_664 ?
O1 Cs1 O1 94.83(9) 5_666 2_664 ?
O3 Cs1 O1 118.11(10) 5_656 2_664 ?
O3 Cs1 O1 47.41(10) 5_666 2_664 ?
O1 Cs1 O1 70.81(10) 8_755 2_664 ?
O4 Cs1 Mo1 111.39(4) . 5_656 ?
O2 Cs1 Mo1 151.29(7) 2_664 5_656 ?
O2 Cs1 Mo1 80.54(7) 8_755 5_656 ?
O2 Cs1 Mo1 27.86(6) 3_646 5_656 ?
O2 Cs1 Mo1 95.43(6) 5_666 5_656 ?
O1 Cs1 Mo1 35.54(6) 3_646 5_656 ?
O1 Cs1 Mo1 108.38(6) 5_666 5_656 ?
O3 Cs1 Mo1 28.29(9) 5_656 5_656 ?
O3 Cs1 Mo1 146.03(9) 5_666 5_656 ?
O1 Cs1 Mo1 59.73(5) 8_755 5_656 ?
O1 Cs1 Mo1 119.72(5) 2_664 5_656 ?
O2 Cs2 O2 52.15(13) 7_565 . ?
O2 Cs2 O1 155.82(9) 7_565 2_665 ?
O2 Cs2 O1 109.27(9) . 2_665 ?
O2 Cs2 O1 109.27(9) 7_565 8_756 ?
O2 Cs2 O1 155.82(9) . 8_756 ?
O1 Cs2 O1 82.96(12) 2_665 8_756 ?
O2 Cs2 O2 129.70(5) 7_565 5_667 ?
O2 Cs2 O2 98.06(7) . 5_667 ?
O1 Cs2 O2 61.73(9) 2_665 5_667 ?
O1 Cs2 O2 106.13(9) 8_756 5_667 ?
O2 Cs2 O2 98.05(7) 7_565 3_647 ?
O2 Cs2 O2 129.70(5) . 3_647 ?
O1 Cs2 O2 106.13(9) 2_665 3_647 ?
O1 Cs2 O2 61.73(9) 8_756 3_647 ?
O2 Cs2 O2 69.11(13) 5_667 3_647 ?
O2 Cs2 O4 119.72(11) 7_565 2_665 ?
O2 Cs2 O4 68.81(11) . 2_665 ?
O1 Cs2 O4 40.74(10) 2_665 2_665 ?
O1 Cs2 O4 122.29(11) 8_756 2_665 ?
O2 Cs2 O4 63.91(11) 5_667 2_665 ?
O2 Cs2 O4 131.80(11) 3_647 2_665 ?
O2 Cs2 O4 68.81(11) 7_565 2_655 ?
O2 Cs2 O4 119.72(11) . 2_655 ?
O1 Cs2 O4 122.29(10) 2_665 2_655 ?
O1 Cs2 O4 40.74(10) 8_756 2_655 ?
O2 Cs2 O4 131.80(11) 5_667 2_655 ?
O2 Cs2 O4 63.91(11) 3_647 2_655 ?
O4 Cs2 O4 154.43(17) 2_665 2_655 ?
O2 Cs2 O4 63.09(10) 7_565 6_557 ?
O2 Cs2 O4 63.09(10) . 6_557 ?
O1 Cs2 O4 126.69(7) 2_665 6_557 ?
O1 Cs2 O4 126.69(8) 8_756 6_557 ?
O2 Cs2 O4 67.27(9) 5_667 6_557 ?
O2 Cs2 O4 67.27(9) 3_647 6_557 ?
O4 Cs2 O4 102.57(9) 2_665 6_557 ?
O4 Cs2 O4 102.57(9) 2_655 6_557 ?
O2 Cs2 O3 48.07(9) 7_565 6_657 ?
O2 Cs2 O3 48.07(9) . 6_657 ?
O1 Cs2 O3 108.77(9) 2_665 6_657 ?
O1 Cs2 O3 108.77(8) 8_756 6_657 ?
O2 Cs2 O3 142.23(7) 5_667 6_657 ?
O2 Cs2 O3 142.23(7) 3_647 6_657 ?
O4 Cs2 O3 85.21(9) 2_665 6_657 ?
O4 Cs2 O3 85.21(9) 2_655 6_657 ?
O4 Cs2 O3 101.68(12) 6_557 6_657 ?
O2 Cs2 C1 139.02(12) 7_565 2_665 ?
O2 Cs2 C1 88.77(12) . 2_665 ?
O1 Cs2 C1 20.95(12) 2_665 2_665 ?
O1 Cs2 C1 103.65(12) 8_756 2_665 ?
O2 Cs2 C1 58.91(12) 5_667 2_665 ?
O2 Cs2 C1 119.05(13) 3_647 2_665 ?
O4 Cs2 C1 19.97(13) 2_665 2_665 ?
O4 Cs2 C1 141.50(13) 2_655 2_665 ?
O4 Cs2 C1 113.90(10) 6_557 2_665 ?
O3 Cs2 C1 98.60(11) 6_657 2_665 ?
O2 Cs2 C1 88.77(12) 7_565 2_655 ?
O2 Cs2 C1 139.02(12) . 2_655 ?
O1 Cs2 C1 103.65(11) 2_665 2_655 ?
O1 Cs2 C1 20.95(12) 8_756 2_655 ?
O2 Cs2 C1 119.05(13) 5_667 2_655 ?
O2 Cs2 C1 58.91(12) 3_647 2_655 ?
O4 Cs2 C1 141.50(13) 2_665 2_655 ?
O4 Cs2 C1 19.97(13) 2_655 2_655 ?
O4 Cs2 C1 113.90(10) 6_557 2_655 ?
O3 Cs2 C1 98.60(11) 6_657 2_655 ?
C1 Cs2 C1 124.1(2) 2_665 2_655 ?
O2 Mo1 O2 106.4(2) . 7_565 ?
O2 Mo1 O3 103.67(15) . . ?
O2 Mo1 O3 103.67(15) 7_565 . ?
O2 Mo1 O1 149.59(14) . 7_565 ?
O2 Mo1 O1 92.97(14) 7_565 7_565 ?
O3 Mo1 O1 93.85(17) . 7_565 ?
O2 Mo1 O1 92.97(15) . . ?
O2 Mo1 O1 149.59(14) 7_565 . ?
O3 Mo1 O1 93.85(17) . . ?
O1 Mo1 O1 60.80(18) 7_565 . ?
O2 Mo1 O3 83.34(14) . 6_657 ?
O2 Mo1 O3 83.34(14) 7_565 6_657 ?
O3 Mo1 O3 167.92(9) . 6_657 ?
O1 Mo1 O3 75.78(14) 7_565 6_657 ?
O1 Mo1 O3 75.78(14) . 6_657 ?
O2 Mo1 C1 121.78(12) . . ?
O2 Mo1 C1 121.78(12) 7_565 . ?
O3 Mo1 C1 95.1(2) . . ?
O1 Mo1 C1 30.41(9) 7_565 . ?
O1 Mo1 C1 30.41(9) . . ?
O3 Mo1 C1 72.77(19) 6_657 . ?
O2 Mo1 Cs1 150.63(12) . 5_656 ?
O2 Mo1 Cs1 59.28(12) 7_565 5_656 ?
O3 Mo1 Cs1 60.54(2) . 5_656 ?
O1 Mo1 Cs1 59.74(9) 7_565 5_656 ?
O1 Mo1 Cs1 111.68(9) . 5_656 ?
O3 Mo1 Cs1 117.16(3) 6_657 5_656 ?
C1 Mo1 Cs1 85.87(7) . 5_656 ?
O2 Mo1 Cs1 59.28(12) . 5_666 ?
O2 Mo1 Cs1 150.63(12) 7_565 5_666 ?
O3 Mo1 Cs1 60.54(2) . 5_666 ?
O1 Mo1 Cs1 111.68(9) 7_565 5_666 ?
O1 Mo1 Cs1 59.74(9) . 5_666 ?
O3 Mo1 Cs1 117.16(3) 6_657 5_666 ?
C1 Mo1 Cs1 85.87(7) . 5_666 ?
Cs1 Mo1 Cs1 119.29(2) 5_656 5_666 ?
O2 Mo1 Cs2 54.43(11) . . ?
O2 Mo1 Cs2 54.43(12) 7_565 . ?
O3 Mo1 Cs2 126.97(17) . . ?
O1 Mo1 Cs2 130.29(9) 7_565 . ?
O1 Mo1 Cs2 130.29(9) . . ?
O3 Mo1 Cs2 65.11(13) 6_657 . ?
C1 Mo1 Cs2 137.89(14) . . ?
Cs1 Mo1 Cs2 112.885(11) 5_656 . ?
Cs1 Mo1 Cs2 112.885(11) 5_666 . ?
O2 Mo1 Cs1 40.82(12) . 2_665 ?
O2 Mo1 Cs1 119.77(12) 7_565 2_665 ?
O3 Mo1 Cs1 128.465(11) . 2_665 ?
O1 Mo1 Cs1 109.13(9) 7_565 2_665 ?
O1 Mo1 Cs1 62.34(9) . 2_665 ?
O3 Mo1 Cs1 52.069(19) 6_657 2_665 ?
C1 Mo1 Cs1 85.04(9) . 2_665 ?
Cs1 Mo1 Cs1 167.80(2) 5_656 2_665 ?
Cs1 Mo1 Cs1 68.111(7) 5_666 2_665 ?
Cs2 Mo1 Cs1 69.545(11) . 2_665 ?
O2 Mo1 Cs1 119.77(12) . 2_655 ?
O2 Mo1 Cs1 40.82(11) 7_565 2_655 ?
O3 Mo1 Cs1 128.465(11) . 2_655 ?
O1 Mo1 Cs1 62.34(9) 7_565 2_655 ?
O1 Mo1 Cs1 109.13(9) . 2_655 ?
O3 Mo1 Cs1 52.069(19) 6_657 2_655 ?
C1 Mo1 Cs1 85.04(9) . 2_655 ?
Cs1 Mo1 Cs1 68.111(7) 5_656 2_655 ?
Cs1 Mo1 Cs1 167.80(2) 5_666 2_655 ?
Cs2 Mo1 Cs1 69.545(11) . 2_655 ?
Cs1 Mo1 Cs1 102.958(17) 2_665 2_655 ?
C1 O1 Mo1 93.0(3) . . ?
C1 O1 Cs2 99.1(3) . 2_664 ?
Mo1 O1 Cs2 161.28(15) . 2_664 ?
C1 O1 Cs1 146.0(3) . 5_666 ?
Mo1 O1 Cs1 84.72(10) . 5_666 ?
Cs2 O1 Cs1 93.06(8) 2_664 5_666 ?
C1 O1 Cs1 134.5(3) . 2_665 ?
Mo1 O1 Cs1 85.80(10) . 2_665 ?
Cs2 O1 Cs1 75.54(7) 2_664 2_665 ?
Cs1 O1 Cs1 79.22(7) 5_666 2_665 ?
Mo1 O2 Cs1 116.96(15) . 2_665 ?
Mo1 O2 Cs2 99.06(15) . . ?
Cs1 O2 Cs2 94.52(9) 2_665 . ?
Mo1 O2 Cs2 146.57(17) . 5_667 ?
Cs1 O2 Cs2 96.13(10) 2_665 5_667 ?
Cs2 O2 Cs2 81.95(7) . 5_667 ?
Mo1 O2 Cs1 92.86(12) . 5_666 ?
Cs1 O2 Cs1 89.95(9) 2_665 5_666 ?
Cs2 O2 Cs1 163.66(12) . 5_666 ?
Cs2 O2 Cs1 81.96(9) 5_667 5_666 ?
Mo1 O3 Mo1 150.7(3) . 6_557 ?
Mo1 O3 Cs1 91.17(9) . 5_656 ?
Mo1 O3 Cs1 92.74(9) 6_557 5_656 ?
Mo1 O3 Cs1 91.17(9) . 5_666 ?
Mo1 O3 Cs1 92.74(9) 6_557 5_666 ?
Cs1 O3 Cs1 164.43(18) 5_656 5_666 ?
Mo1 O3 Cs2 131.4(2) . 6_557 ?
Mo1 O3 Cs2 77.93(13) 6_557 6_557 ?
Cs1 O3 Cs2 83.46(9) 5_656 6_557 ?
Cs1 O3 Cs2 83.46(9) 5_666 6_557 ?
C1 O4 Cs1 139.5(4) . . ?
C1 O4 Cs2 95.73(11) . 2_664 ?
Cs1 O4 Cs2 93.00(9) . 2_664 ?
C1 O4 Cs2 95.73(11) . 2_654 ?
Cs1 O4 Cs2 93.00(9) . 2_654 ?
Cs2 O4 Cs2 154.43(17) 2_664 2_654 ?
C1 O4 Cs2 127.3(4) . 6_657 ?
Cs1 O4 Cs2 93.19(13) . 6_657 ?
Cs2 O4 Cs2 77.43(9) 2_664 6_657 ?
Cs2 O4 Cs2 77.43(9) 2_654 6_657 ?
O4 C1 O1 123.4(3) . . ?
O4 C1 O1 123.4(3) . 7_565 ?
O1 C1 O1 113.2(6) . 7_565 ?
O4 C1 Mo1 177.5(5) . . ?
O1 C1 Mo1 56.6(3) . . ?
O1 C1 Mo1 56.6(3) 7_565 . ?
O4 C1 Cs2 64.30(12) . 2_664 ?
O1 C1 Cs2 60.0(2) . 2_664 ?
O1 C1 Cs2 167.1(4) 7_565 2_664 ?
Mo1 C1 Cs2 115.18(11) . 2_664 ?
O4 C1 Cs2 64.30(12) . 2_654 ?
O1 C1 Cs2 167.1(4) . 2_654 ?
O1 C1 Cs2 60.0(2) 7_565 2_654 ?
Mo1 C1 Cs2 115.18(11) . 2_654 ?
Cs2 C1 Cs2 124.1(2) 2_664 2_654 ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        26.38
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         1.044
_refine_diff_density_min         -3.935
_refine_diff_density_rms         0.882
####################################################################### 
# 
# 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_0904_4_01a
_database_code_depnum_ccdc_archive 'CCDC 2116107'
loop_
_audit_author_name
_audit_author_address
'yunqiao Guo'
;Sichuan Normal University
China
;
_audit_update_record             
;
2021-10-17 deposited with the CCDC.	2021-11-26 downloaded from the CCDC.
;
_audit_creation_date             2021-07-21
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.13(C8 H8 Cs24 Mo8 O56)'
_chemical_formula_sum            'C H Cs3 Mo O7'
_chemical_formula_weight         619.69
_chemical_absolute_configuration ?
_chemical_melting_point          ?
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'
Cs Cs -0.3680 2.1192 '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'
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      orthorhombic
_space_group_IT_number           33
_space_group_name_H-M_alt        'P n a 21'
_space_group_name_Hall           'P 2c -2n'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z+1/2'

_cell_length_a                   17.2193(7)
_cell_length_b                   6.4100(2)
_cell_length_c                   18.2693(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2016.49(13)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9975
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.30
_cell_measurement_theta_min      3.25
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    11.973
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5641
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1116 before and 0.0624 after correction.
The Ratio of minimum to maximum transmission is 0.7565.
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    4.082
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             2160
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1053
_diffrn_reflns_av_unetI/netI     0.0539
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            27905
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.872
_diffrn_reflns_theta_min         2.230
_diffrn_ambient_temperature      150.01
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 1.000
_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         0.934
_reflns_Friedel_fraction_full    0.998
_reflns_Friedel_fraction_max     0.994
_reflns_number_gt                3981
_reflns_number_total             4805
_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 v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 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         2.946
_refine_diff_density_min         -2.080
_refine_diff_density_rms         0.362
_refine_ls_abs_structure_details 
;
 Flack x determined using 1684 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.08(6)
_refine_ls_extinction_coef       0.00117(13)
_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   1.038
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     226
_refine_ls_number_reflns         4805
_refine_ls_number_restraints     57
_refine_ls_R_factor_all          0.0583
_refine_ls_R_factor_gt           0.0461
_refine_ls_restrained_S_all      1.054
_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)+(0.0718P)²+12.3172P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1121
_refine_ls_wR_factor_ref         0.1214
_refine_special_details          ?
_olex2_refinement_description    
;
1. Restrained distances
 C1-O11 = C1-O9 = C1-O10 = C2-O14 = C2-O12 = C2-O13
 1.2 with sigma of 0.005
 H10-O10
 0.95 with sigma of 0.05
 O12-H12
 0.95 with sigma of 0.05
2. Uiso/Uaniso restraints and constraints
Uanis(O10) \\sim Ueq, Uanis(O13) \\sim Ueq, Uanis(O14) \\sim Ueq, Uanis(O9)
\\sim Ueq, Uanis(O2) \\sim Ueq, Uanis(O7) \\sim Ueq, Uanis(C1) \\sim Ueq,
Uanis(C2) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
;
_atom_sites_solution_hydrogens   difmap
_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
C1 C 0.3260(9) 0.305(3) 0.4293(8) 0.014(4) Uani 1 1 d D U . . .
C2 C 0.4242(9) 0.801(3) 0.5720(8) 0.018(4) Uani 1 1 d D U . . .
Cs5 Cs 0.87349(11) 0.7141(2) 0.36005(17) 0.0151(4) Uani 1 1 d . . . . .
Cs2 Cs 0.29032(14) 0.7686(2) 0.77424(13) 0.0126(5) Uani 1 1 d . . . . .
Cs4 Cs 0.72674(15) 0.7362(2) 0.54020(17) 0.0138(5) Uani 1 1 d . . . . .
Cs6 Cs 0.45974(15) 1.26241(18) 0.22587(13) 0.0126(5) Uani 1 1 d . . . . .
Cs1 Cs 0.37517(11) 0.2851(2) 0.64002(17) 0.0141(4) Uani 1 1 d . . . . .
Cs3 Cs 0.52190(15) 0.25336(15) 0.46029(18) 0.0131(5) Uani 1 1 d . . . . .
Mo2 Mo 0.6024(2) 0.7554(2) 0.3583(2) 0.0100(6) Uani 1 1 d . . . . .
Mo1 Mo 0.14672(19) 0.2687(3) 0.64201(19) 0.0081(6) Uani 1 1 d . . . . .
O14 O 0.3848(11) 0.777(2) 0.6273(10) 0.017(4) Uani 1 1 d D U . . .
O13 O 0.4827(7) 0.692(2) 0.5669(8) 0.016(3) Uani 1 1 d D U . . .
O3 O 0.1813(13) 0.038(3) 0.6861(13) 0.026(5) Uani 1 1 d . . . . .
O7 O 0.7016(11) 0.788(2) 0.3542(13) 0.020(4) Uani 1 1 d . U . . .
O8 O 0.5738(18) 0.736(2) 0.4532(19) 0.021(5) Uani 1 1 d . . . . .
O11 O 0.3434(8) 0.4278(18) 0.4781(7) 0.016(3) Uani 1 1 d D . . . .
O6 O 0.5584(11) 0.974(3) 0.3208(12) 0.018(4) Uani 1 1 d . . . . .
O9 O 0.3643(11) 0.281(2) 0.3734(9) 0.017(4) Uani 1 1 d D U . . .
O12 O 0.4068(8) 0.9241(19) 0.5235(7) 0.019(3) Uani 1 1 d D . . . .
O1 O 0.0441(12) 0.282(3) 0.6498(14) 0.024(4) Uani 1 1 d . . . . .
O4 O 0.1903(12) 0.489(3) 0.6859(13) 0.021(4) Uani 1 1 d . . . . .
O5 O 0.5732(13) 0.531(3) 0.3142(13) 0.027(5) Uani 1 1 d . . . . .
O2 O 0.1730(18) 0.267(2) 0.549(2) 0.025(6) Uani 1 1 d . U . . .
O10 O 0.2679(7) 0.195(2) 0.4367(9) 0.016(3) Uani 1 1 d D U . . .
H10 H 0.220(6) 0.18(4) 0.453(13) 0.03(7) Uiso 1 1 d D . . . .
H12 H 0.361(10) 0.98(4) 0.500(13) 0.07(10) Uiso 1 1 d 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
C1 Cs5 3.430(16) 3_465 ?
C1 Cs5 3.653(15) 3_455 ?
C1 Cs2 3.477(15) 4_544 ?
C1 Cs3 3.436(16) . ?
C1 O11 1.226(7) . ?
C1 O9 1.224(7) . ?
C1 O10 1.231(7) . ?
C2 Cs4 3.457(16) 3_465 ?
C2 Cs6 3.473(16) 2_675 ?
C2 Cs1 3.631(16) . ?
C2 Cs1 3.448(16) 1_565 ?
C2 O14 1.226(7) . ?
C2 O13 1.231(7) . ?
C2 O12 1.225(7) . ?
Cs5 C1 3.653(15) 3 ?
Cs5 C1 3.430(16) 3_565 ?
Cs5 Mo2 3.947(4) 3_565 ?
Cs5 O3 3.68(2) 2_664 ?
Cs5 O7 2.999(19) . ?
Cs5 O11 3.191(13) 3_565 ?
Cs5 O6 3.480(18) 3_565 ?
Cs5 O9 3.189(15) 3 ?
Cs5 O9 3.247(15) 3_565 ?
Cs5 O12 3.167(13) 3_565 ?
Cs5 O4 3.61(2) 2_664 ?
Cs5 O10 3.485(15) 3 ?
Cs2 C1 3.477(15) 4 ?
Cs2 Cs1 4.214(3) . ?
Cs2 Mo2 4.129(3) 2_665 ?
Cs2 Mo2 3.883(3) 2_675 ?
Cs2 O14 3.140(14) . ?
Cs2 O3 3.02(2) 1_565 ?
Cs2 O7 3.201(17) 2_675 ?
Cs2 O6 3.198(19) 2_675 ?
Cs2 O9 3.22(2) 4 ?
Cs2 O4 2.962(19) . ?
Cs2 O5 3.12(2) 2_665 ?
Cs2 O10 3.169(16) 4 ?
Cs4 C2 3.457(16) 3_565 ?
Cs4 Mo1 3.928(3) 3_565 ?
Cs4 O14 3.15(2) 3_565 ?
Cs4 O3 3.29(2) 3 ?
Cs4 O7 3.44(2) . ?
Cs4 O8 3.08(3) . ?
Cs4 O11 3.156(13) 3_565 ?
Cs4 O12 3.280(15) 3_565 ?
Cs4 O4 3.25(2) 3_565 ?
Cs4 O2 3.321(16) 3_565 ?
Cs4 O2 3.359(17) 3 ?
Cs4 O10 3.423(14) 3 ?
Cs6 C2 3.473(16) 2_674 ?
Cs6 Mo1 3.965(3) 4_554 ?
Cs6 Mo1 4.030(3) 4_564 ?
Cs6 O14 3.24(2) 2_674 ?
Cs6 O13 3.083(15) 2_674 ?
Cs6 O3 3.09(2) 4_564 ?
Cs6 O6 3.053(19) . ?
Cs6 O9 3.159(14) 1_565 ?
Cs6 O1 3.378(17) 4_554 ?
Cs6 O1 3.611(19) 4_564 ?
Cs6 O4 3.20(2) 4_554 ?
Cs6 O5 3.064(19) 1_565 ?
Cs1 C2 3.448(16) 1_545 ?
Cs1 Mo1 3.935(4) . ?
Cs1 O14 3.267(15) 1_545 ?
Cs1 O14 3.168(15) . ?
Cs1 O13 3.464(15) . ?
Cs1 O3 3.79(2) . ?
Cs1 O11 3.145(13) . ?
Cs1 O12 3.191(13) 1_545 ?
Cs1 O1 2.95(2) 3 ?
Cs1 O4 3.54(2) . ?
Cs1 O5 3.51(2) 2_665 ?
Cs3 Mo2 3.948(3) 1_545 ?
Cs3 O13 3.484(14) . ?
Cs3 O8 3.222(16) . ?
Cs3 O8 3.438(15) 1_545 ?
Cs3 O11 3.286(13) . ?
Cs3 O6 3.18(2) 1_545 ?
Cs3 O9 3.15(2) . ?
Cs3 O12 3.117(14) 1_545 ?
Cs3 O1 3.49(3) 3 ?
Cs3 O5 3.33(2) . ?
Cs3 O2 3.07(4) 3 ?
Mo2 Cs5 3.947(4) 3_465 ?
Mo2 Cs2 3.883(3) 2_674 ?
Mo2 Cs2 4.129(3) 2_664 ?
Mo2 Cs1 4.015(5) 2_664 ?
Mo2 Cs3 3.948(3) 1_565 ?
Mo2 O7 1.72(2) . ?
Mo2 O8 1.81(3) . ?
Mo2 O6 1.733(19) . ?
Mo2 O5 1.724(19) . ?
Mo1 Cs5 4.000(5) 2_665 ?
Mo1 Cs4 3.979(3) 3_455 ?
Mo1 Cs4 3.928(3) 3_465 ?
Mo1 Cs6 3.965(3) 4_545 ?
Mo1 Cs6 4.030(3) 4_535 ?
Mo1 Cs3 3.958(5) 3_455 ?
Mo1 O3 1.785(19) . ?
Mo1 O1 1.77(2) . ?
Mo1 O4 1.792(19) . ?
Mo1 O2 1.76(4) . ?
O14 Cs4 3.15(2) 3_465 ?
O14 Cs6 3.24(2) 2_675 ?
O14 Cs1 3.267(15) 1_565 ?
O13 Cs6 3.083(15) 2_675 ?
O3 Cs5 3.68(2) 2_665 ?
O3 Cs2 3.02(2) 1_545 ?
O3 Cs4 3.29(2) 3_455 ?
O3 Cs6 3.09(2) 4_535 ?
O7 Cs2 3.201(17) 2_674 ?
O8 Cs3 3.438(15) 1_565 ?
O11 Cs5 3.191(13) 3_465 ?
O11 Cs4 3.156(13) 3_465 ?
O6 Cs5 3.480(18) 3_465 ?
O6 Cs2 3.198(18) 2_674 ?
O6 Cs3 3.18(2) 1_565 ?
O9 Cs5 3.189(14) 3_455 ?
O9 Cs5 3.247(15) 3_465 ?
O9 Cs2 3.22(2) 4_544 ?
O9 Cs6 3.159(14) 1_545 ?
O12 Cs5 3.167(13) 3_465 ?
O12 Cs4 3.280(15) 3_465 ?
O12 Cs1 3.191(13) 1_565 ?
O12 Cs3 3.117(14) 1_565 ?
O1 Cs6 3.378(17) 4_545 ?
O1 Cs6 3.611(19) 4_535 ?
O1 Cs1 2.95(2) 3_455 ?
O1 Cs3 3.49(3) 3_455 ?
O4 Cs5 3.61(2) 2_665 ?
O4 Cs4 3.25(2) 3_465 ?
O4 Cs6 3.20(2) 4_545 ?
O5 Cs2 3.12(2) 2_664 ?
O5 Cs6 3.064(19) 1_545 ?
O5 Cs1 3.51(2) 2_664 ?
O2 Cs4 3.321(16) 3_465 ?
O2 Cs4 3.359(17) 3_455 ?
O2 Cs3 3.07(4) 3_455 ?
O10 Cs5 3.485(15) 3_455 ?
O10 Cs2 3.169(16) 4_544 ?
O10 Cs4 3.423(13) 3_455 ?

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
Cs5 C1 Cs5 129.6(4) 3_465 3_455 ?
Cs5 C1 Cs2 84.1(4) 3_465 4_544 ?
Cs5 C1 Cs3 85.0(3) 3_465 . ?
Cs2 C1 Cs5 77.6(2) 4_544 3_455 ?
Cs3 C1 Cs5 75.5(4) . 3_455 ?
Cs3 C1 Cs2 133.9(4) . 4_544 ?
O11 C1 Cs5 141.4(13) . 3_455 ?
O11 C1 Cs5 68.5(9) . 3_465 ?
O11 C1 Cs2 140.9(14) . 4_544 ?
O11 C1 Cs3 72.7(10) . . ?
O11 C1 O10 119.1(14) . . ?
O9 C1 Cs5 58.5(10) . 3_455 ?
O9 C1 Cs5 71.1(10) . 3_465 ?
O9 C1 Cs2 67.8(12) . 4_544 ?
O9 C1 Cs3 66.3(13) . . ?
O9 C1 O11 123.7(15) . . ?
O9 C1 O10 117.2(14) . . ?
O10 C1 Cs5 72.4(10) . 3_455 ?
O10 C1 Cs5 138.5(14) . 3_465 ?
O10 C1 Cs2 65.4(10) . 4_544 ?
O10 C1 Cs3 136.4(14) . . ?
Cs4 C2 Cs6 134.0(4) 3_465 2_675 ?
Cs4 C2 Cs1 76.5(4) 3_465 . ?
Cs6 C2 Cs1 75.5(2) 2_675 . ?
Cs1 C2 Cs4 83.2(3) 1_565 3_465 ?
Cs1 C2 Cs6 87.4(4) 1_565 2_675 ?
Cs1 C2 Cs1 129.7(4) 1_565 . ?
O14 C2 Cs4 65.6(13) . 3_465 ?
O14 C2 Cs6 68.7(12) . 2_675 ?
O14 C2 Cs1 58.5(10) . . ?
O14 C2 Cs1 71.2(10) . 1_565 ?
O14 C2 O13 116.4(14) . . ?
O13 C2 Cs4 138.9(14) . 3_465 ?
O13 C2 Cs6 61.5(9) . 2_675 ?
O13 C2 Cs1 72.4(10) . . ?
O13 C2 Cs1 137.7(14) . 1_565 ?
O12 C2 Cs4 71.5(10) . 3_465 ?
O12 C2 Cs6 143.3(14) . 2_675 ?
O12 C2 Cs1 141.1(14) . . ?
O12 C2 Cs1 67.7(9) . 1_565 ?
O12 C2 O14 122.8(15) . . ?
O12 C2 O13 120.8(14) . . ?
C1 Cs5 C1 129.6(4) 3_565 3 ?
C1 Cs5 Mo2 105.7(2) 3 3_565 ?
C1 Cs5 Mo2 101.3(3) 3_565 3_565 ?
C1 Cs5 O3 129.5(4) 3 2_664 ?
C1 Cs5 O3 82.5(4) 3_565 2_664 ?
C1 Cs5 O6 127.2(4) 3_565 3_565 ?
C1 Cs5 O4 125.3(4) 3_565 2_664 ?
C1 Cs5 O10 113.8(4) 3_565 3 ?
O3 Cs5 Mo2 103.2(4) 2_664 3_565 ?
O7 Cs5 C1 68.7(4) . 3_565 ?
O7 Cs5 C1 86.3(4) . 3 ?
O7 Cs5 Mo2 167.9(3) . 3_565 ?
O7 Cs5 O3 69.4(6) . 2_664 ?
O7 Cs5 O11 75.6(5) . 3_565 ?
O7 Cs5 O6 161.9(5) . 3_565 ?
O7 Cs5 O9 96.3(5) . 3 ?
O7 Cs5 O9 78.3(5) . 3_565 ?
O7 Cs5 O12 104.8(5) . 3_565 ?
O7 Cs5 O4 74.1(5) . 2_664 ?
O7 Cs5 O10 67.5(4) . 3 ?
O11 Cs5 C1 112.6(3) 3_565 3 ?
O11 Cs5 C1 20.94(15) 3_565 3_565 ?
O11 Cs5 Mo2 97.6(2) 3_565 3_565 ?
O11 Cs5 O3 103.4(4) 3_565 2_664 ?
O11 Cs5 O6 122.4(4) 3_565 3_565 ?
O11 Cs5 O9 39.2(3) 3_565 3_565 ?
O11 Cs5 O4 143.7(4) 3_565 2_664 ?
O11 Cs5 O10 100.7(3) 3_565 3 ?
O6 Cs5 C1 87.7(4) 3_565 3 ?
O6 Cs5 Mo2 26.0(3) 3_565 3_565 ?
O6 Cs5 O3 101.9(6) 3_565 2_664 ?
O6 Cs5 O4 88.4(5) 3_565 2_664 ?
O6 Cs5 O10 107.4(4) 3_565 3 ?
O9 Cs5 C1 148.7(4) 3 3_565 ?
O9 Cs5 C1 150.5(4) 3_565 3 ?
O9 Cs5 C1 19.11(19) 3 3 ?
O9 Cs5 C1 20.90(15) 3_565 3_565 ?
O9 Cs5 Mo2 95.7(3) 3 3_565 ?
O9 Cs5 Mo2 90.0(3) 3_565 3_565 ?
O9 Cs5 O3 118.9(5) 3 2_664 ?
O9 Cs5 O3 67.8(4) 3_565 2_664 ?
O9 Cs5 O11 131.0(4) 3 3_565 ?
O9 Cs5 O6 73.5(4) 3 3_565 ?
O9 Cs5 O6 113.9(4) 3_565 3_565 ?
O9 Cs5 O9 169.6(5) 3 3_565 ?
O9 Cs5 O4 72.1(5) 3 2_664 ?
O9 Cs5 O4 114.3(5) 3_565 2_664 ?
O9 Cs5 O10 36.3(3) 3 3 ?
O9 Cs5 O10 133.9(4) 3_565 3 ?
O12 Cs5 C1 57.3(3) 3_565 3 ?
O12 Cs5 C1 87.0(3) 3_565 3_565 ?
O12 Cs5 Mo2 80.8(3) 3_565 3_565 ?
O12 Cs5 O3 169.3(4) 3_565 2_664 ?
O12 Cs5 O11 66.0(3) 3_565 3_565 ?
O12 Cs5 O6 86.1(4) 3_565 3_565 ?
O12 Cs5 O9 102.5(4) 3_565 3_565 ?
O12 Cs5 O9 70.0(4) 3_565 3 ?
O12 Cs5 O4 141.7(4) 3_565 2_664 ?
O12 Cs5 O10 60.3(3) 3_565 3 ?
O4 Cs5 C1 84.7(4) 2_664 3 ?
O4 Cs5 Mo2 108.3(3) 2_664 3_565 ?
O4 Cs5 O3 46.9(5) 2_664 2_664 ?
O10 Cs5 C1 19.68(13) 3 3 ?
O10 Cs5 Mo2 124.1(2) 3 3_565 ?
O10 Cs5 O3 122.6(4) 3 2_664 ?
O10 Cs5 O4 85.6(4) 3 2_664 ?
C1 Cs2 Cs1 136.3(3) 4 . ?
C1 Cs2 Mo2 90.5(2) 4 2_665 ?
C1 Cs2 Mo2 84.2(3) 4 2_675 ?
Mo2 Cs2 Cs1 57.52(7) 2_665 . ?
Mo2 Cs2 Cs1 130.04(8) 2_675 . ?
Mo2 Cs2 Mo2 106.23(11) 2_675 2_665 ?
O14 Cs2 C1 173.7(4) . 4 ?
O14 Cs2 Cs1 48.4(3) . . ?
O14 Cs2 Mo2 94.5(4) . 2_675 ?
O14 Cs2 Mo2 95.8(3) . 2_665 ?
O14 Cs2 O7 110.6(5) . 2_675 ?
O14 Cs2 O6 78.3(5) . 2_675 ?
O14 Cs2 O9 155.3(5) . 4 ?
O14 Cs2 O10 165.4(4) . 4 ?
O3 Cs2 C1 92.2(5) 1_565 4 ?
O3 Cs2 Cs1 109.1(4) 1_565 . ?
O3 Cs2 Mo2 93.3(4) 1_565 2_675 ?
O3 Cs2 Mo2 160.5(4) 1_565 2_665 ?
O3 Cs2 O14 81.7(6) 1_565 . ?
O3 Cs2 O7 76.2(5) 1_565 2_675 ?
O3 Cs2 O6 110.7(4) 1_565 2_675 ?
O3 Cs2 O9 76.8(5) 1_565 4 ?
O3 Cs2 O5 161.0(8) 1_565 2_665 ?
O3 Cs2 O10 112.8(5) 1_565 4 ?
O7 Cs2 C1 66.0(5) 2_675 4 ?
O7 Cs2 Cs1 154.7(4) 2_675 . ?
O7 Cs2 Mo2 122.2(4) 2_675 2_665 ?
O7 Cs2 Mo2 25.9(4) 2_675 2_675 ?
O7 Cs2 O9 75.9(5) 2_675 4 ?
O6 Cs2 C1 102.6(5) 2_675 4 ?
O6 Cs2 Cs1 104.6(3) 2_675 . ?
O6 Cs2 Mo2 26.1(3) 2_675 2_675 ?
O6 Cs2 Mo2 87.5(4) 2_675 2_665 ?
O6 Cs2 O7 52.0(5) 2_675 2_675 ?
O6 Cs2 O9 120.7(4) 2_675 4 ?
O9 Cs2 C1 20.61(16) 4 4 ?
O9 Cs2 Cs1 129.2(3) 4 . ?
O9 Cs2 Mo2 98.7(3) 4 2_675 ?
O9 Cs2 Mo2 100.4(3) 4 2_665 ?
O4 Cs2 C1 98.6(5) . 4 ?
O4 Cs2 Cs1 56.0(4) . . ?
O4 Cs2 Mo2 88.3(4) . 2_665 ?
O4 Cs2 Mo2 165.2(4) . 2_675 ?
O4 Cs2 O14 81.2(6) . . ?
O4 Cs2 O3 72.1(7) . 1_565 ?
O4 Cs2 O7 144.2(5) . 2_675 ?
O4 Cs2 O6 158.5(6) . 2_675 ?
O4 Cs2 O9 80.8(5) . 4 ?
O4 Cs2 O5 101.2(5) . 2_665 ?
O4 Cs2 O10 103.7(5) . 4 ?
O5 Cs2 C1 106.5(5) 2_665 4 ?
O5 Cs2 Cs1 54.7(4) 2_665 . ?
O5 Cs2 Mo2 22.5(3) 2_665 2_665 ?
O5 Cs2 Mo2 91.9(4) 2_665 2_675 ?
O5 Cs2 O14 79.7(5) 2_665 . ?
O5 Cs2 O7 114.0(5) 2_665 2_675 ?
O5 Cs2 O6 69.0(6) 2_665 2_675 ?
O5 Cs2 O9 120.4(5) 2_665 4 ?
O5 Cs2 O10 85.8(5) 2_665 4 ?
O10 Cs2 C1 20.69(16) 4 4 ?
O10 Cs2 Cs1 123.1(3) 4 . ?
O10 Cs2 Mo2 70.9(2) 4 2_665 ?
O10 Cs2 Mo2 84.1(3) 4 2_675 ?
O10 Cs2 O7 73.6(5) 4 2_675 ?
O10 Cs2 O6 94.9(5) 4 2_675 ?
O10 Cs2 O9 38.3(3) 4 4 ?
C2 Cs4 Mo1 108.7(2) 3_565 3_565 ?
O14 Cs4 C2 20.72(17) 3_565 3_565 ?
O14 Cs4 Mo1 94.9(3) 3_565 3_565 ?
O14 Cs4 O3 77.4(5) 3_565 3 ?
O14 Cs4 O7 127.5(4) 3_565 . ?
O14 Cs4 O11 69.6(3) 3_565 3_565 ?
O14 Cs4 O12 39.0(3) 3_565 3_565 ?
O14 Cs4 O4 76.6(4) 3_565 3_565 ?
O14 Cs4 O2 104.0(7) 3_565 3_565 ?
O14 Cs4 O2 100.8(7) 3_565 3 ?
O14 Cs4 O10 94.4(4) 3_565 3 ?
O3 Cs4 C2 93.5(5) 3 3_565 ?
O3 Cs4 Mo1 88.0(3) 3 3_565 ?
O3 Cs4 O7 145.3(5) 3 . ?
O3 Cs4 O2 51.8(7) 3 3 ?
O3 Cs4 O2 114.0(7) 3 3_565 ?
O3 Cs4 O10 93.7(4) 3 3 ?
O7 Cs4 C2 107.2(4) . 3_565 ?
O7 Cs4 Mo1 110.2(3) . 3_565 ?
O8 Cs4 C2 158.3(6) . 3_565 ?
O8 Cs4 Mo1 86.8(4) . 3_565 ?
O8 Cs4 O14 178.2(4) . 3_565 ?
O8 Cs4 O3 102.4(7) . 3 ?
O8 Cs4 O7 51.9(7) . . ?
O8 Cs4 O11 111.1(5) . 3_565 ?
O8 Cs4 O12 139.5(6) . 3_565 ?
O8 Cs4 O4 104.9(6) . 3_565 ?
O8 Cs4 O2 77.8(6) . 3 ?
O8 Cs4 O2 77.7(6) . 3_565 ?
O8 Cs4 O10 83.8(5) . 3 ?
O11 Cs4 C2 58.8(4) 3_565 3_565 ?
O11 Cs4 Mo1 80.9(2) 3_565 3_565 ?
O11 Cs4 O3 143.9(5) 3_565 3 ?
O11 Cs4 O7 70.1(4) 3_565 . ?
O11 Cs4 O12 65.1(4) 3_565 3_565 ?
O11 Cs4 O4 92.8(4) 3_565 3_565 ?
O11 Cs4 O2 62.7(6) 3_565 3_565 ?
O11 Cs4 O2 148.0(6) 3_565 3 ?
O11 Cs4 O10 102.7(4) 3_565 3 ?
O12 Cs4 C2 20.73(15) 3_565 3_565 ?
O12 Cs4 Mo1 129.0(2) 3_565 3_565 ?
O12 Cs4 O3 97.6(5) 3_565 3 ?
O12 Cs4 O7 93.3(4) 3_565 . ?
O12 Cs4 O2 87.9(6) 3_565 3 ?
O12 Cs4 O2 124.6(6) 3_565 3_565 ?
O12 Cs4 O10 60.0(3) 3_565 3 ?
O4 Cs4 C2 95.1(4) 3_565 3_565 ?
O4 Cs4 Mo1 26.8(3) 3_565 3_565 ?
O4 Cs4 O3 65.1(6) 3_565 3 ?
O4 Cs4 O7 137.1(4) 3_565 . ?
O4 Cs4 O12 115.4(4) 3_565 3_565 ?
O4 Cs4 O2 115.3(7) 3_565 3 ?
O4 Cs4 O2 52.3(7) 3_565 3_565 ?
O4 Cs4 O10 158.2(4) 3_565 3 ?
O2 Cs4 C2 101.4(6) 3 3_565 ?
O2 Cs4 C2 109.4(6) 3_565 3_565 ?
O2 Cs4 Mo1 26.4(6) 3_565 3_565 ?
O2 Cs4 Mo1 131.0(5) 3 3_565 ?
O2 Cs4 O7 85.5(7) 3_565 . ?
O2 Cs4 O7 96.0(7) 3 . ?
O2 Cs4 O2 147.3(10) 3_565 3 ?
O2 Cs4 O10 46.2(6) 3 3 ?
O2 Cs4 O10 149.2(7) 3_565 3 ?
O10 Cs4 C2 80.4(3) 3 3_565 ?
O10 Cs4 Mo1 170.6(2) 3 3_565 ?
O10 Cs4 O7 63.8(4) 3 . ?
C2 Cs6 Mo1 82.0(3) 2_674 4_554 ?
C2 Cs6 Mo1 92.8(3) 2_674 4_564 ?
C2 Cs6 O1 78.9(5) 2_674 4_564 ?
Mo1 Cs6 Mo1 106.59(10) 4_554 4_564 ?
O14 Cs6 C2 20.66(15) 2_674 2_674 ?
O14 Cs6 Mo1 103.2(3) 2_674 4_564 ?
O14 Cs6 Mo1 96.0(3) 2_674 4_554 ?
O14 Cs6 O1 73.5(5) 2_674 4_554 ?
O14 Cs6 O1 82.7(5) 2_674 4_564 ?
O13 Cs6 C2 20.54(18) 2_674 2_674 ?
O13 Cs6 Mo1 73.2(2) 2_674 4_564 ?
O13 Cs6 Mo1 82.0(3) 2_674 4_554 ?
O13 Cs6 O14 38.5(3) 2_674 2_674 ?
O13 Cs6 O3 88.7(5) 2_674 4_564 ?
O13 Cs6 O9 165.3(4) 2_674 1_565 ?
O13 Cs6 O1 63.6(5) 2_674 4_564 ?
O13 Cs6 O1 72.9(5) 2_674 4_554 ?
O13 Cs6 O4 95.6(5) 2_674 4_554 ?
O3 Cs6 C2 109.2(5) 4_564 2_674 ?
O3 Cs6 Mo1 90.1(4) 4_564 4_554 ?
O3 Cs6 Mo1 24.8(4) 4_564 4_564 ?
O3 Cs6 O14 124.4(5) 4_564 2_674 ?
O3 Cs6 O9 76.7(5) 4_564 1_565 ?
O3 Cs6 O1 114.2(5) 4_564 4_554 ?
O3 Cs6 O1 50.7(5) 4_564 4_564 ?
O3 Cs6 O4 68.0(6) 4_564 4_554 ?
O6 Cs6 C2 93.9(5) . 2_674 ?
O6 Cs6 Mo1 163.2(4) . 4_564 ?
O6 Cs6 Mo1 89.6(4) . 4_554 ?
O6 Cs6 O14 78.9(5) . 2_674 ?
O6 Cs6 O13 114.5(4) . 2_674 ?
O6 Cs6 O3 156.6(7) . 4_564 ?
O6 Cs6 O9 80.1(5) . 1_565 ?
O6 Cs6 O1 72.1(5) . 4_554 ?
O6 Cs6 O1 142.0(5) . 4_564 ?
O6 Cs6 O4 104.3(4) . 4_554 ?
O6 Cs6 O5 71.7(7) . 1_565 ?
O9 Cs6 C2 174.0(4) 1_565 2_674 ?
O9 Cs6 Mo1 96.9(3) 1_565 4_554 ?
O9 Cs6 Mo1 93.2(3) 1_565 4_564 ?
O9 Cs6 O14 155.3(5) 1_565 2_674 ?
O9 Cs6 O1 112.1(5) 1_565 4_554 ?
O9 Cs6 O1 106.5(5) 1_565 4_564 ?
O9 Cs6 O4 78.2(5) 1_565 4_554 ?
O1 Cs6 C2 64.7(5) 4_554 2_674 ?
O1 Cs6 Mo1 26.1(3) 4_564 4_564 ?
O1 Cs6 Mo1 26.5(4) 4_554 4_554 ?
O1 Cs6 Mo1 124.7(4) 4_554 4_564 ?
O1 Cs6 Mo1 125.4(3) 4_564 4_554 ?
O1 Cs6 O1 133.0(8) 4_554 4_564 ?
O4 Cs6 C2 102.5(5) 4_554 2_674 ?
O4 Cs6 Mo1 26.3(3) 4_554 4_554 ?
O4 Cs6 Mo1 89.2(4) 4_554 4_564 ?
O4 Cs6 O14 119.8(4) 4_554 2_674 ?
O4 Cs6 O1 52.6(5) 4_554 4_554 ?
O4 Cs6 O1 113.7(5) 4_554 4_564 ?
O5 Cs6 C2 97.2(5) 1_565 2_674 ?
O5 Cs6 Mo1 161.2(4) 1_565 4_554 ?
O5 Cs6 Mo1 92.2(4) 1_565 4_564 ?
O5 Cs6 O14 79.0(5) 1_565 2_674 ?
O5 Cs6 O13 103.7(5) 1_565 2_674 ?
O5 Cs6 O3 107.7(5) 1_565 4_564 ?
O5 Cs6 O9 82.0(6) 1_565 1_565 ?
O5 Cs6 O1 72.3(5) 1_565 4_564 ?
O5 Cs6 O1 137.8(6) 1_565 4_554 ?
O5 Cs6 O4 160.2(7) 1_565 4_554 ?
C2 Cs1 C2 129.7(4) 1_545 . ?
C2 Cs1 Mo1 105.1(2) . . ?
C2 Cs1 Mo1 102.9(3) 1_545 . ?
C2 Cs1 O13 114.0(4) 1_545 . ?
C2 Cs1 O3 131.4(4) . . ?
C2 Cs1 O3 85.4(4) 1_545 . ?
C2 Cs1 O4 129.6(4) 1_545 . ?
C2 Cs1 O5 124.6(4) 1_545 2_665 ?
O14 Cs1 C2 149.0(4) . 1_545 ?
O14 Cs1 C2 19.3(2) . . ?
O14 Cs1 C2 150.6(4) 1_545 . ?
O14 Cs1 C2 20.81(15) 1_545 1_545 ?
O14 Cs1 Mo1 91.4(3) 1_545 . ?
O14 Cs1 Mo1 94.6(3) . . ?
O14 Cs1 O14 169.8(5) . 1_545 ?
O14 Cs1 O13 134.0(4) 1_545 . ?
O14 Cs1 O13 36.3(3) . . ?
O14 Cs1 O3 118.6(4) . . ?
O14 Cs1 O3 69.2(4) 1_545 . ?
O14 Cs1 O12 131.6(4) . 1_545 ?
O14 Cs1 O4 115.5(4) 1_545 . ?
O14 Cs1 O4 72.3(4) . . ?
O14 Cs1 O5 73.6(5) . 2_665 ?
O14 Cs1 O5 112.7(5) 1_545 2_665 ?
O13 Cs1 C2 19.79(13) . . ?
O13 Cs1 Mo1 123.9(2) . . ?
O13 Cs1 O3 150.5(4) . . ?
O13 Cs1 O4 107.1(4) . . ?
O13 Cs1 O5 87.8(4) . 2_665 ?
O3 Cs1 Mo1 26.6(3) . . ?
O11 Cs1 C2 88.0(3) . 1_545 ?
O11 Cs1 C2 56.9(3) . . ?
O11 Cs1 Mo1 81.0(3) . . ?
O11 Cs1 O14 69.5(4) . . ?
O11 Cs1 O14 103.4(4) . 1_545 ?
O11 Cs1 O13 60.7(3) . . ?
O11 Cs1 O3 100.2(4) . . ?
O11 Cs1 O12 67.2(3) . 1_545 ?
O11 Cs1 O4 87.7(4) . . ?
O11 Cs1 O5 143.1(4) . 2_665 ?
O12 Cs1 C2 20.80(16) 1_545 1_545 ?
O12 Cs1 C2 113.1(4) 1_545 . ?
O12 Cs1 Mo1 99.0(3) 1_545 . ?
O12 Cs1 O14 38.9(3) 1_545 1_545 ?
O12 Cs1 O13 101.4(3) 1_545 . ?
O12 Cs1 O3 89.8(4) 1_545 . ?
O12 Cs1 O4 125.4(4) 1_545 . ?
O12 Cs1 O5 143.7(4) 1_545 2_665 ?
O1 Cs1 C2 69.4(5) 3 1_545 ?
O1 Cs1 C2 85.7(4) 3 . ?
O1 Cs1 Mo1 169.3(3) 3 . ?
O1 Cs1 O14 95.7(5) 3 . ?
O1 Cs1 O14 78.9(5) 3 1_545 ?
O1 Cs1 O13 66.8(4) 3 . ?
O1 Cs1 O3 142.7(4) 3 . ?
O1 Cs1 O11 105.8(5) 3 . ?
O1 Cs1 O12 76.5(5) 3 1_545 ?
O1 Cs1 O4 157.9(6) 3 . ?
O1 Cs1 O5 75.2(6) 3 2_665 ?
O4 Cs1 C2 87.3(4) . . ?
O4 Cs1 Mo1 27.1(3) . . ?
O4 Cs1 O3 46.4(5) . . ?
O5 Cs1 C2 86.9(4) 2_665 . ?
O5 Cs1 Mo1 104.7(4) 2_665 . ?
O5 Cs1 O3 99.3(6) 2_665 . ?
O5 Cs1 O4 83.6(6) 2_665 . ?
C1 Cs3 Mo2 110.2(2) . 1_545 ?
C1 Cs3 O13 79.9(3) . . ?
C1 Cs3 O8 110.0(6) . 1_545 ?
C1 Cs3 O1 106.1(4) . 3 ?
O13 Cs3 Mo2 169.7(2) . 1_545 ?
O13 Cs3 O1 61.3(4) . 3 ?
O8 Cs3 C1 100.0(6) . . ?
O8 Cs3 Mo2 27.2(5) 1_545 1_545 ?
O8 Cs3 Mo2 131.3(5) . 1_545 ?
O8 Cs3 O13 148.1(6) 1_545 . ?
O8 Cs3 O13 45.8(6) . . ?
O8 Cs3 O8 148.5(10) . 1_545 ?
O8 Cs3 O11 86.4(6) . . ?
O8 Cs3 O1 94.1(7) . 3 ?
O8 Cs3 O1 86.9(6) 1_545 3 ?
O8 Cs3 O5 51.8(7) . . ?
O11 Cs3 C1 20.87(14) . . ?
O11 Cs3 Mo2 130.6(2) . 1_545 ?
O11 Cs3 O13 59.3(3) . . ?
O11 Cs3 O8 125.1(6) . 1_545 ?
O11 Cs3 O1 91.5(4) . 3 ?
O11 Cs3 O5 98.4(5) . . ?
O6 Cs3 C1 96.7(4) 1_545 . ?
O6 Cs3 Mo2 25.3(4) 1_545 1_545 ?
O6 Cs3 O13 160.3(4) 1_545 . ?
O6 Cs3 O8 51.3(7) 1_545 1_545 ?
O6 Cs3 O8 117.0(7) 1_545 . ?
O6 Cs3 O11 117.2(4) 1_545 . ?
O6 Cs3 O1 137.5(5) 1_545 3 ?
O6 Cs3 O5 66.8(6) 1_545 . ?
O9 Cs3 C1 20.85(17) . . ?
O9 Cs3 Mo2 96.4(3) . 1_545 ?
O9 Cs3 O13 93.9(3) . . ?
O9 Cs3 O8 105.1(6) . 1_545 ?
O9 Cs3 O8 99.5(6) . . ?
O9 Cs3 O11 39.2(3) . . ?
O9 Cs3 O6 78.4(4) . 1_545 ?
O9 Cs3 O1 126.7(4) . 3 ?
O9 Cs3 O5 78.1(5) . . ?
O12 Cs3 C1 60.1(4) 1_545 . ?
O12 Cs3 Mo2 81.4(3) 1_545 1_545 ?
O12 Cs3 O13 102.4(4) 1_545 . ?
O12 Cs3 O8 147.3(6) 1_545 . ?
O12 Cs3 O8 61.7(5) 1_545 1_545 ?
O12 Cs3 O11 66.4(4) 1_545 . ?
O12 Cs3 O6 92.4(4) 1_545 1_545 ?
O12 Cs3 O9 71.2(3) 1_545 . ?
O12 Cs3 O1 70.0(4) 1_545 3 ?
O12 Cs3 O5 145.9(4) 1_545 . ?
O1 Cs3 Mo2 112.1(3) 3 1_545 ?
O5 Cs3 C1 94.4(5) . . ?
O5 Cs3 Mo2 87.7(4) . 1_545 ?
O5 Cs3 O13 93.9(4) . . ?
O5 Cs3 O8 114.6(6) . 1_545 ?
O5 Cs3 O1 143.3(5) . 3 ?
O2 Cs3 C1 157.4(7) 3 . ?
O2 Cs3 Mo2 85.3(4) 3 1_545 ?
O2 Cs3 O13 84.4(5) 3 . ?
O2 Cs3 O8 76.0(6) 3 1_545 ?
O2 Cs3 O8 80.0(7) 3 . ?
O2 Cs3 O11 139.0(6) 3 . ?
O2 Cs3 O6 103.4(6) 3 1_545 ?
O2 Cs3 O9 178.2(6) 3 . ?
O2 Cs3 O12 108.4(5) 3 1_545 ?
O2 Cs3 O1 51.7(7) 3 3 ?
O2 Cs3 O5 102.8(7) 3 . ?
Cs5 Mo2 Cs2 119.34(8) 3_465 2_664 ?
Cs5 Mo2 Cs4 122.37(11) 3_465 . ?
Cs5 Mo2 Cs1 96.15(10) 3_465 2_664 ?
Cs5 Mo2 Cs3 71.78(7) 3_465 . ?
Cs5 Mo2 Cs3 66.75(7) 3_465 1_565 ?
Cs2 Mo2 Cs5 116.05(7) 2_674 3_465 ?
Cs2 Mo2 Cs2 106.23(11) 2_674 2_664 ?
Cs2 Mo2 Cs4 95.70(8) 2_674 . ?
Cs2 Mo2 Cs1 67.18(7) 2_674 2_664 ?
Cs2 Mo2 Cs3 171.50(12) 2_674 . ?
Cs2 Mo2 Cs3 73.64(6) 2_674 1_565 ?
Cs4 Mo2 Cs2 92.59(7) . 2_664 ?
Cs4 Mo2 Cs1 141.32(11) . 2_664 ?
Cs4 Mo2 Cs3 76.67(8) . . ?
Cs1 Mo2 Cs2 62.30(7) 2_664 2_664 ?
Cs3 Mo2 Cs2 70.81(5) . 2_664 ?
Cs3 Mo2 Cs2 172.05(12) 1_565 2_664 ?
Cs3 Mo2 Cs4 79.55(9) 1_565 . ?
Cs3 Mo2 Cs1 116.58(8) . 2_664 ?
Cs3 Mo2 Cs1 123.69(8) 1_565 2_664 ?
Cs3 Mo2 Cs3 108.14(11) 1_565 . ?
O7 Mo2 Cs5 170.0(5) . 3_465 ?
O7 Mo2 Cs2 68.8(6) . 2_664 ?
O7 Mo2 Cs2 54.3(6) . 2_674 ?
O7 Mo2 Cs4 60.2(8) . . ?
O7 Mo2 Cs1 82.5(8) . 2_664 ?
O7 Mo2 Cs3 117.7(6) . . ?
O7 Mo2 Cs3 105.8(6) . 1_565 ?
O7 Mo2 O8 108.7(13) . . ?
O7 Mo2 O6 108.6(8) . . ?
O7 Mo2 O5 111.7(10) . . ?
O8 Mo2 Cs5 73.9(10) . 3_465 ?
O8 Mo2 Cs2 124.3(6) . 2_674 ?
O8 Mo2 Cs2 115.0(5) . 2_664 ?
O8 Mo2 Cs4 48.7(10) . . ?
O8 Mo2 Cs1 167.1(9) . 2_664 ?
O8 Mo2 Cs3 60.5(5) . 1_565 ?
O8 Mo2 Cs3 53.0(5) . . ?
O6 Mo2 Cs5 61.7(6) . 3_465 ?
O6 Mo2 Cs2 54.3(6) . 2_674 ?
O6 Mo2 Cs2 134.9(8) . 2_664 ?
O6 Mo2 Cs4 126.4(7) . . ?
O6 Mo2 Cs1 72.7(7) . 2_664 ?
O6 Mo2 Cs3 133.5(6) . . ?
O6 Mo2 Cs3 51.6(7) . 1_565 ?
O6 Mo2 O8 108.4(10) . . ?
O5 Mo2 Cs5 75.7(7) . 3_465 ?
O5 Mo2 Cs2 127.6(8) . 2_674 ?
O5 Mo2 Cs2 43.8(7) . 2_664 ?
O5 Mo2 Cs4 121.6(8) . . ?
O5 Mo2 Cs1 60.7(8) . 2_664 ?
O5 Mo2 Cs3 56.0(8) . . ?
O5 Mo2 Cs3 142.4(8) . 1_565 ?
O5 Mo2 O8 108.1(10) . . ?
O5 Mo2 O6 111.3(14) . . ?
Cs5 Mo1 Cs6 66.68(7) 2_665 4_535 ?
Cs4 Mo1 Cs5 118.67(8) 3_465 2_665 ?
Cs4 Mo1 Cs5 121.20(8) 3_455 2_665 ?
Cs4 Mo1 Cs4 108.32(11) 3_465 3_455 ?
Cs4 Mo1 Cs6 71.35(6) 3_455 4_535 ?
Cs4 Mo1 Cs6 72.56(6) 3_465 4_545 ?
Cs4 Mo1 Cs6 171.98(11) 3_465 4_535 ?
Cs4 Mo1 Cs1 67.88(7) 3_465 . ?
Cs4 Mo1 Cs3 79.75(8) 3_465 3_455 ?
Cs6 Mo1 Cs5 63.45(7) 4_545 2_665 ?
Cs6 Mo1 Cs4 171.84(11) 4_545 3_455 ?
Cs6 Mo1 Cs6 106.59(10) 4_545 4_535 ?
Cs1 Mo1 Cs5 95.47(9) . 2_665 ?
Cs1 Mo1 Cs4 70.81(7) . 3_455 ?
Cs1 Mo1 Cs6 116.38(7) . 4_545 ?
Cs1 Mo1 Cs6 118.67(8) . 4_535 ?
Cs1 Mo1 Cs3 122.42(10) . 3_455 ?
Cs3 Mo1 Cs5 142.11(10) 3_455 2_665 ?
Cs3 Mo1 Cs4 76.52(8) 3_455 3_455 ?
Cs3 Mo1 Cs6 92.47(7) 3_455 4_535 ?
Cs3 Mo1 Cs6 95.83(8) 3_455 4_545 ?
O3 Mo1 Cs5 66.6(8) . 2_665 ?
O3 Mo1 Cs4 54.7(8) . 3_455 ?
O3 Mo1 Cs4 140.0(7) . 3_465 ?
O3 Mo1 Cs6 46.6(7) . 4_535 ?
O3 Mo1 Cs6 129.8(8) . 4_545 ?
O3 Mo1 Cs1 72.1(7) . . ?
O3 Mo1 Cs3 122.0(7) . 3_455 ?
O3 Mo1 O4 108.2(13) . . ?
O1 Mo1 Cs5 80.3(8) . 2_665 ?
O1 Mo1 Cs4 115.0(6) . 3_455 ?
O1 Mo1 Cs4 110.4(7) . 3_465 ?
O1 Mo1 Cs6 58.0(6) . 4_545 ?
O1 Mo1 Cs6 63.6(6) . 4_535 ?
O1 Mo1 Cs1 174.0(7) . . ?
O1 Mo1 Cs3 61.9(8) . 3_455 ?
O1 Mo1 O3 109.6(10) . . ?
O1 Mo1 O4 110.0(9) . . ?
O4 Mo1 Cs5 64.4(8) . 2_665 ?
O4 Mo1 Cs4 55.0(8) . 3_465 ?
O4 Mo1 Cs4 135.0(7) . 3_455 ?
O4 Mo1 Cs6 52.4(7) . 4_545 ?
O4 Mo1 Cs6 131.0(8) . 4_535 ?
O4 Mo1 Cs1 64.2(7) . . ?
O4 Mo1 Cs3 129.2(7) . 3_455 ?
O2 Mo1 Cs5 170.0(11) . 2_665 ?
O2 Mo1 Cs4 57.1(5) . 3_465 ?
O2 Mo1 Cs4 56.9(6) . 3_455 ?
O2 Mo1 Cs6 118.6(6) . 4_535 ?
O2 Mo1 Cs6 119.8(6) . 4_545 ?
O2 Mo1 Cs1 74.6(11) . . ?
O2 Mo1 Cs3 47.8(11) . 3_455 ?
O2 Mo1 O3 110.2(10) . . ?
O2 Mo1 O1 109.5(14) . . ?
O2 Mo1 O4 109.3(11) . . ?
C2 O14 Cs2 173.4(15) . . ?
C2 O14 Cs4 93.7(14) . 3_465 ?
C2 O14 Cs6 90.6(13) . 2_675 ?
C2 O14 Cs1 102.2(12) . . ?
C2 O14 Cs1 88.0(11) . 1_565 ?
Cs2 O14 Cs4 89.1(4) . 3_465 ?
Cs2 O14 Cs6 87.2(5) . 2_675 ?
Cs2 O14 Cs1 83.8(3) . . ?
Cs2 O14 Cs1 86.0(4) . 1_565 ?
Cs4 O14 Cs6 172.9(5) 3_465 2_675 ?
Cs4 O14 Cs1 88.0(5) 3_465 . ?
Cs4 O14 Cs1 91.1(5) 3_465 1_565 ?
Cs6 O14 Cs1 94.6(5) 2_675 1_565 ?
Cs1 O14 Cs6 85.6(4) . 2_675 ?
Cs1 O14 Cs1 169.8(5) . 1_565 ?
C2 O13 Cs6 97.9(11) . 2_675 ?
C2 O13 Cs1 87.8(11) . . ?
C2 O13 Cs3 131.3(13) . . ?
Cs6 O13 Cs1 83.1(3) 2_675 . ?
Cs6 O13 Cs3 122.8(4) 2_675 . ?
Cs1 O13 Cs3 73.3(3) . . ?
Cs5 O3 Cs1 103.8(5) 2_665 . ?
Cs2 O3 Cs5 86.9(6) 1_545 2_665 ?
Cs2 O3 Cs4 88.8(5) 1_545 3_455 ?
Cs2 O3 Cs6 92.1(5) 1_545 4_535 ?
Cs2 O3 Cs1 79.0(5) 1_545 . ?
Cs4 O3 Cs5 173.3(6) 3_455 2_665 ?
Cs4 O3 Cs1 80.4(5) 3_455 . ?
Cs6 O3 Cs5 80.9(5) 4_535 2_665 ?
Cs6 O3 Cs4 94.1(5) 4_535 3_455 ?
Cs6 O3 Cs1 169.6(7) 4_535 . ?
Mo1 O3 Cs5 87.0(8) . 2_665 ?
Mo1 O3 Cs2 157.3(11) . 1_545 ?
Mo1 O3 Cs4 99.0(9) . 3_455 ?
Mo1 O3 Cs6 108.5(10) . 4_535 ?
Mo1 O3 Cs1 81.2(7) . . ?
Cs5 O7 Cs2 96.5(5) . 2_674 ?
Cs5 O7 Cs4 80.0(5) . . ?
Cs2 O7 Cs4 122.0(6) 2_674 . ?
Mo2 O7 Cs5 163.4(8) . . ?
Mo2 O7 Cs2 99.8(7) . 2_674 ?
Mo2 O7 Cs4 94.0(9) . . ?
Cs4 O8 Cs3 102.6(7) . . ?
Cs4 O8 Cs3 101.7(7) . 1_565 ?
Cs3 O8 Cs3 148.5(10) . 1_565 ?
Mo2 O8 Cs4 105.2(12) . . ?
Mo2 O8 Cs3 100.4(9) . . ?
Mo2 O8 Cs3 92.3(7) . 1_565 ?
C1 O11 Cs5 90.6(10) . 3_465 ?
C1 O11 Cs4 122.9(12) . 3_465 ?
C1 O11 Cs1 122.7(11) . . ?
C1 O11 Cs3 86.5(10) . . ?
Cs5 O11 Cs3 91.5(3) 3_465 . ?
Cs4 O11 Cs5 81.7(3) 3_465 3_465 ?
Cs4 O11 Cs3 149.7(4) 3_465 . ?
Cs1 O11 Cs5 144.8(4) . 3_465 ?
Cs1 O11 Cs4 88.3(3) . 3_465 ?
Cs1 O11 Cs3 80.3(3) . . ?
Cs2 O6 Cs5 168.1(6) 2_674 3_465 ?
Cs6 O6 Cs5 79.5(4) . 3_465 ?
Cs6 O6 Cs2 89.4(5) . 2_674 ?
Cs6 O6 Cs3 90.2(5) . 1_565 ?
Cs3 O6 Cs5 81.3(4) 1_565 3_465 ?
Cs3 O6 Cs2 94.8(5) 1_565 2_674 ?
Mo2 O6 Cs5 92.2(7) . 3_465 ?
Mo2 O6 Cs2 99.6(7) . 2_674 ?
Mo2 O6 Cs6 163.2(11) . . ?
Mo2 O6 Cs3 103.0(9) . 1_565 ?
C1 O9 Cs5 88.0(11) . 3_465 ?
C1 O9 Cs5 102.4(11) . 3_455 ?
C1 O9 Cs2 91.6(13) . 4_544 ?
C1 O9 Cs6 174.8(14) . 1_545 ?
C1 O9 Cs3 92.9(14) . . ?
Cs5 O9 Cs5 169.6(5) 3_455 3_465 ?
Cs5 O9 Cs2 88.5(4) 3_455 4_544 ?
Cs2 O9 Cs5 91.3(5) 4_544 3_465 ?
Cs6 O9 Cs5 87.1(3) 1_545 3_465 ?
Cs6 O9 Cs5 82.6(3) 1_545 3_455 ?
Cs6 O9 Cs2 87.1(5) 1_545 4_544 ?
Cs3 O9 Cs5 93.0(5) . 3_465 ?
Cs3 O9 Cs5 86.5(5) . 3_455 ?
Cs3 O9 Cs2 173.9(5) . 4_544 ?
Cs3 O9 Cs6 88.8(4) . 1_545 ?
C2 O12 Cs5 123.1(12) . 3_465 ?
C2 O12 Cs4 87.8(11) . 3_465 ?
C2 O12 Cs1 91.5(10) . 1_565 ?
C2 O12 Cs3 123.3(12) . 1_565 ?
Cs5 O12 Cs4 80.2(3) 3_465 3_465 ?
Cs5 O12 Cs1 143.2(4) 3_465 1_565 ?
Cs1 O12 Cs4 90.2(4) 1_565 3_465 ?
Cs3 O12 Cs5 87.4(3) 1_565 3_465 ?
Cs3 O12 Cs4 148.0(4) 1_565 3_465 ?
Cs3 O12 Cs1 82.2(3) 1_565 1_565 ?
Cs6 O1 Cs6 133.0(8) 4_545 4_535 ?
Cs6 O1 Cs3 117.7(6) 4_545 3_455 ?
Cs1 O1 Cs6 82.5(4) 3_455 4_535 ?
Cs1 O1 Cs6 98.0(5) 3_455 4_545 ?
Cs1 O1 Cs3 79.7(6) 3_455 3_455 ?
Cs3 O1 Cs6 108.6(5) 3_455 4_535 ?
Mo1 O1 Cs6 95.6(7) . 4_545 ?
Mo1 O1 Cs6 90.2(7) . 4_535 ?
Mo1 O1 Cs1 166.1(9) . 3_455 ?
Mo1 O1 Cs3 91.5(9) . 3_455 ?
Cs2 O4 Cs5 85.1(6) . 2_665 ?
Cs2 O4 Cs4 90.4(5) . 3_465 ?
Cs2 O4 Cs6 90.9(5) . 4_545 ?
Cs2 O4 Cs1 80.2(5) . . ?
Cs4 O4 Cs5 167.4(7) 3_465 2_665 ?
Cs4 O4 Cs1 80.4(5) 3_465 . ?
Cs6 O4 Cs5 75.6(5) 4_545 2_665 ?
Cs6 O4 Cs4 92.7(5) 4_545 3_465 ?
Cs6 O4 Cs1 168.6(6) 4_545 . ?
Cs1 O4 Cs5 110.4(6) . 2_665 ?
Mo1 O4 Cs5 89.0(8) . 2_665 ?
Mo1 O4 Cs2 164.8(11) . . ?
Mo1 O4 Cs4 98.1(9) . 3_465 ?
Mo1 O4 Cs6 101.3(8) . 4_545 ?
Mo1 O4 Cs1 88.7(7) . . ?
Cs2 O5 Cs1 78.7(5) 2_664 2_664 ?
Cs2 O5 Cs3 93.4(6) 2_664 . ?
Cs6 O5 Cs2 90.6(5) 1_545 2_664 ?
Cs6 O5 Cs1 82.7(5) 1_545 2_664 ?
Cs6 O5 Cs3 87.3(5) 1_545 . ?
Cs3 O5 Cs1 167.1(6) . 2_664 ?
Mo2 O5 Cs2 113.8(9) . 2_664 ?
Mo2 O5 Cs6 154.3(11) . 1_545 ?
Mo2 O5 Cs1 94.0(8) . 2_664 ?
Mo2 O5 Cs3 98.6(10) . . ?
Cs4 O2 Cs4 147.3(10) 3_465 3_455 ?
Cs3 O2 Cs4 99.7(7) 3_455 3_455 ?
Cs3 O2 Cs4 104.6(8) 3_455 3_465 ?
Mo1 O2 Cs4 97.1(9) . 3_455 ?
Mo1 O2 Cs4 96.5(9) . 3_465 ?
Mo1 O2 Cs3 107.0(13) . 3_455 ?
C1 O10 Cs5 87.9(11) . 3_455 ?
C1 O10 Cs2 93.9(11) . 4_544 ?
C1 O10 Cs4 133.8(13) . 3_455 ?
Cs2 O10 Cs5 84.3(4) 4_544 3_455 ?
Cs2 O10 Cs4 124.9(4) 4_544 3_455 ?
Cs4 O10 Cs5 73.9(3) 3_455 3_455 ?

_olex2_submission_special_instructions 'No special instructions were received'
