# Supplementary Information (SI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2025

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2371118'
loop_
_audit_author_name
_audit_author_address
'Guangning Wang'
;Harbin Normal University
China
;
_audit_update_record             
;
2024-11-07 deposited with the CCDC.	2024-11-08 downloaded from the CCDC.
;
_audit_creation_date             2024-11-07
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C20 H25 Mo12 N4 O41 P1'
_chemical_formula_sum            'C20 H25 Mo12 N4 O41 P1'
_chemical_formula_weight         2172.67
_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'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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           62
_space_group_name_H-M_alt        'P n m a'
_space_group_name_Hall           '-P 2ac 2n'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x, y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'-x-1/2, y-1/2, z-1/2'
'x, -y-1/2, z'

_cell_length_a                   16.6283(16)
_cell_length_b                   20.910(2)
_cell_length_c                   14.0123(14)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4872.1(8)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    116730
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.28
_cell_measurement_theta_min      2.19
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.128
_exptl_absorpt_correction_T_max  0.855
_exptl_absorpt_correction_T_min  0.644
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    2.962
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4100
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0918
_diffrn_reflns_av_unetI/netI     0.0303
_diffrn_reflns_Laue_measured_fraction_full 0.975
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            111748
_diffrn_reflns_point_group_measured_fraction_full 0.975
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.281
_diffrn_reflns_theta_min         2.722
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4681
_reflns_number_total             6211
_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       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         1.505
_refine_diff_density_min         -1.152
_refine_diff_density_rms         0.159
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.191
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     446
_refine_ls_number_reflns         6211
_refine_ls_number_restraints     38
_refine_ls_R_factor_all          0.0793
_refine_ls_R_factor_gt           0.0554
_refine_ls_restrained_S_all      1.305
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0263P)²+51.6941P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1245
_refine_ls_wR_factor_ref         0.1389
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
2. Restrained distances
 O16-Mo14
 0.9 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(O4) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
Uanis(O3) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
Uanis(O12B) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O4B) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
Uanis(O6B) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
Uanis(O8B) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
4. Others
 1*[Sof(O3)]+1*[Sof(O4)]=1 with esd of 0.0001
 Sof(O8B)=1-FVAR(1)
 Sof(O8A)=FVAR(1)
 Sof(O6B)=1-FVAR(2)
 Sof(O6A)=FVAR(2)
 Sof(O4B)=1-FVAR(3)
 Sof(O4A)=FVAR(3)
 Sof(O12B)=1-FVAR(4)
 Sof(O12A)=FVAR(4)
 Sof(O47B)=1-FVAR(7)
 Sof(O47A)=FVAR(7)
 Fixed Sof: O76(0.5) O77(0.5) O79(0.5) O82(0.5)
5.a Aromatic/amide H refined with riding coordinates:
 C14(H14), C32(H32), C37(H37), C40(H40), C46(H46), C20(H20), N1(H1), C3(H3),
 C6(H6), C17(H17), C28(H28)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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
Mo2 Mo 1.15739(5) 0.750000 -0.68905(5) 0.02787(18) Uani 1 2 d S T P . .
Mo6 Mo 1.04455(4) 0.86706(3) -0.81542(4) 0.03623(17) Uani 1 1 d . . . . .
Mo9 Mo 1.25876(4) 0.62679(3) -0.81479(4) 0.03742(17) Uani 1 1 d . . . . .
Mo14 Mo 1.26910(4) 0.86731(4) -1.06745(5) 0.04032(18) Uani 1 1 d D . . . .
Mo17 Mo 1.05537(4) 0.87170(4) -1.06856(5) 0.04236(18) Uani 1 1 d . . . . .
Mo20 Mo 1.36886(6) 0.750000 -0.92660(8) 0.0488(3) Uani 1 2 d S T P . .
Mo21 Mo 0.94438(6) 0.750000 -0.95285(9) 0.0580(3) Uani 1 2 d S T P . .
Mo23 Mo 1.15852(5) 0.750000 -1.19600(6) 0.0316(2) Uani 1 2 d S T P . .
P1 P 1.15726(12) 0.750000 -0.94100(14) 0.0192(4) Uani 1 2 d S T P . .
O1 O 1.0827(3) 0.8128(3) -1.1693(5) 0.0568(17) Uani 1 1 d . . . . .
O2 O 1.1608(5) 0.750000 -1.3133(6) 0.084(4) Uani 1 2 d S T P A .
O4B O 0.9789(14) 0.8000(12) -0.8568(7) 0.036(5) Uani 0.54(5) 1 d . U P A 2
O6B O 0.9835(12) 0.8014(12) -1.0399(7) 0.038(5) Uani 0.56(5) 1 d . U P A 2
O7 O 0.8451(4) 0.750000 -0.9559(6) 0.0453(19) Uani 1 2 d S T P A .
O8B O 1.3297(14) 0.6965(11) -0.8445(8) 0.036(5) Uani 0.57(5) 1 d . U P B 2
O9 O 1.1529(3) 0.5983(3) -0.8099(5) 0.0535(16) Uani 1 1 d . . . . .
O11 O 1.0751(3) 0.6877(3) -0.7179(5) 0.0558(17) Uani 1 1 d . . . . .
O12B O 1.0588(12) 0.8881(10) -0.9461(7) 0.034(4) Uani 0.52(4) 1 d . U P A 2
O13 O 1.4686(5) 0.750000 -0.9299(6) 0.0449(18) Uani 1 2 d S T P B .
O15 O 1.2406(3) 0.8118(3) -1.1669(5) 0.0566(17) Uani 1 1 d . . . . .
O16 O 1.3193(4) 0.9217(3) -1.1233(4) 0.0537(16) Uani 1 1 d D . . . .
O21 O 1.1618(3) 0.9003(3) -1.0733(6) 0.068(2) Uani 1 1 d . . . . .
O22 O 1.2320(3) 0.8142(3) -0.7139(5) 0.0560(17) Uani 1 1 d . . . . .
O25 O 1.1550(5) 0.750000 -0.5712(5) 0.048(2) Uani 1 2 d S T P . .
O31 O 1.0093(4) 0.9283(3) -1.1300(4) 0.0602(18) Uani 1 1 d . . . . .
O32 O 1.3057(4) 0.5701(3) -0.7546(4) 0.0530(15) Uani 1 1 d . . . . .
O36 O 0.9960(4) 0.9233(3) -0.7571(5) 0.065(2) Uani 1 1 d . . . . .
O47B O 1.2559(14) 0.8899(12) -0.9416(7) 0.032(5) Uani 0.53(5) 1 d . . P C 2
O76 O 1.0822(5) 0.7963(4) -0.9423(6) 0.0241(17) Uani 0.5 1 d . . P A .
O77 O 1.1554(5) 0.7886(4) -0.8535(6) 0.0216(16) Uani 0.5 1 d . . P A .
O79 O 1.2322(5) 0.7038(4) -0.9384(5) 0.0223(17) Uani 0.5 1 d . . P A .
O82 O 1.1590(5) 0.7877(4) -1.0311(6) 0.0209(16) Uani 0.5 1 d . . P A .
N12 N 1.5531(7) 0.8849(7) -0.9801(8) 0.098(4) Uani 1 1 d . . . . .
C14 C 1.5386(8) 0.8981(7) -1.1442(8) 0.083(4) Uani 1 1 d . . . . .
H14 H 1.521831 0.882073 -1.202862 0.099 Uiso 1 1 calc R U . . .
C32 C 1.5280(8) 0.8643(5) -1.0665(8) 0.071(3) Uani 1 1 d . . . . .
H32 H 1.502476 0.824800 -1.070933 0.085 Uiso 1 1 calc R U . . .
C37 C 1.6002(9) 0.9769(6) -1.0531(13) 0.100(5) Uani 1 1 d . . . . .
H37 H 1.627108 1.015839 -1.049018 0.120 Uiso 1 1 calc R U . . .
C40 C 1.5742(9) 0.9570(7) -1.1392(10) 0.092(4) Uani 1 1 d . . . . .
H40 H 1.580240 0.982313 -1.193242 0.111 Uiso 1 1 calc R U . . .
C46 C 1.5889(8) 0.9429(8) -0.9730(9) 0.088(4) Uani 1 1 d . . . . .
H46 H 1.605334 0.958682 -0.914108 0.105 Uiso 1 1 calc R U . . .
C20 C 1.1668(6) 1.0524(5) -1.0259(6) 0.056(2) Uani 1 1 d . . . . .
H20 H 1.148937 1.033788 -1.082263 0.067 Uiso 1 1 calc R U . . .
N1 N 1.1535(5) 1.0229(4) -0.9414(5) 0.059(2) Uani 1 1 d . . . . .
H1 H 1.128905 0.986697 -0.940717 0.071 Uiso 1 1 calc R U . . .
C3 C 1.2059(6) 1.1088(4) -1.0284(6) 0.052(2) Uani 1 1 d . . . . .
H3 H 1.216382 1.128936 -1.086240 0.063 Uiso 1 1 calc R U . . .
C6 C 1.2156(6) 1.1070(5) -0.8597(6) 0.056(2) Uani 1 1 d . . . . .
H6 H 1.231023 1.126240 -0.802779 0.067 Uiso 1 1 calc R U . . .
C17 C 1.1776(6) 1.0486(5) -0.8594(6) 0.054(2) Uani 1 1 d . . . . .
H17 H 1.168774 1.027216 -0.802148 0.065 Uiso 1 1 calc R U . . .
C28 C 1.2300(7) 1.1360(5) -0.9441(7) 0.061(3) Uani 1 1 d . . . . .
H28 H 1.256779 1.175095 -0.944996 0.074 Uiso 1 1 calc R U . . .
O8A O 1.3624(15) 0.6730(11) -0.8394(8) 0.023(5) Uani 0.43(5) 1 d . . P B 1
O6A O 0.9543(14) 0.8289(11) -1.0419(8) 0.027(5) Uani 0.44(5) 1 d . . P A 1
O4A O 0.9485(15) 0.8261(12) -0.8534(9) 0.029(5) Uani 0.46(5) 1 d . . P A 1
O12A O 1.0330(10) 0.9167(11) -0.9406(8) 0.031(5) Uani 0.48(4) 1 d . . P A 1
O4 O 1.3647(6) 0.6754(6) -1.0276(7) 0.032(2) Uani 0.512(3) 1 d . U P B 2
O3 O 1.3338(6) 0.7007(6) -1.0271(7) 0.028(2) Uani 0.488(3) 1 d . U P B 1
O47A O 1.2858(14) 0.9159(12) -0.9383(8) 0.027(5) Uani 0.47(5) 1 d . . P C 1
O5 O 1.4450(16) 0.750000 -1.1963(18) 0.189(9) Uiso 1 2 d S . P . .
O6 O 1.394(7) 0.750000 -1.263(8) 0.81(9) Uiso 1 2 d S . P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Mo2 O11 1.932(5) . ?
Mo2 O11 1.932(5) 8_575 ?
Mo2 O22 1.861(5) . ?
Mo2 O22 1.861(5) 8_575 ?
Mo2 O25 1.652(7) . ?
Mo2 O77 2.441(8) 8_575 ?
Mo2 O77 2.441(8) . ?
Mo6 O4B 1.869(12) . ?
Mo6 O9 1.944(5) 8_575 ?
Mo6 O11 1.854(6) 8_575 ?
Mo6 O12B 1.898(10) . ?
Mo6 O36 1.644(6) . ?
Mo6 O76 2.397(8) . ?
Mo6 O4A 1.889(13) . ?
Mo6 O12A 2.047(13) . ?
Mo9 O8B 1.921(10) . ?
Mo9 O9 1.860(6) . ?
Mo9 O22 1.929(6) 8_575 ?
Mo9 O32 1.651(5) . ?
Mo9 O47B 1.812(10) 8_575 ?
Mo9 O79 2.405(8) . ?
Mo9 O8A 2.006(15) . ?
Mo9 O47A 1.999(17) 8_575 ?
Mo14 O15 1.873(6) . ?
Mo14 O16 1.613(5) . ?
Mo14 O21 1.915(6) . ?
Mo14 O47B 1.839(12) . ?
Mo14 O79 2.419(8) 8_575 ?
Mo14 O4 1.907(10) 8_575 ?
Mo14 O3 1.870(11) 8_575 ?
Mo14 O47A 2.094(18) . ?
Mo17 O1 1.928(6) . ?
Mo17 O6B 1.937(12) . ?
Mo17 O12B 1.751(11) . ?
Mo17 O21 1.869(6) . ?
Mo17 O31 1.651(6) . ?
Mo17 O76 2.411(8) . ?
Mo17 O82 2.516(8) . ?
Mo17 O6A 1.940(14) . ?
Mo17 O12A 2.059(18) . ?
Mo20 O8B 1.732(13) . ?
Mo20 O8B 1.732(13) 8_575 ?
Mo20 O13 1.659(8) . ?
Mo20 O79 2.475(8) 8_575 ?
Mo20 O79 2.475(8) . ?
Mo20 O8A 2.024(19) . ?
Mo20 O8A 2.024(19) 8_575 ?
Mo20 O4 2.108(11) 8_575 ?
Mo20 O4 2.108(11) . ?
Mo20 O3 1.841(11) 8_575 ?
Mo20 O3 1.841(11) . ?
Mo21 O4B 1.799(13) . ?
Mo21 O4B 1.798(13) 8_575 ?
Mo21 O6B 1.750(14) 8_575 ?
Mo21 O6B 1.750(14) . ?
Mo21 O7 1.652(7) . ?
Mo21 O76 2.493(8) 8_575 ?
Mo21 O76 2.493(8) . ?
Mo21 O6A 2.076(18) 8_575 ?
Mo21 O6A 2.076(18) . ?
Mo21 O4A 2.12(2) 8_575 ?
Mo21 O4A 2.12(2) . ?
Mo23 O1 1.859(5) 8_575 ?
Mo23 O1 1.859(5) . ?
Mo23 O2 1.645(8) . ?
Mo23 O15 1.924(5) . ?
Mo23 O15 1.924(5) 8_575 ?
Mo23 O82 2.441(8) 8_575 ?
Mo23 O82 2.441(8) . ?
P1 O76 1.579(9) . ?
P1 O76 1.579(9) 8_575 ?
P1 O77 1.468(8) . ?
P1 O77 1.468(8) 8_575 ?
P1 O79 1.578(8) 8_575 ?
P1 O79 1.578(8) . ?
P1 O82 1.489(8) 8_575 ?
P1 O82 1.489(8) . ?
O76 O77 1.748(12) . ?
O76 O82 1.792(11) . ?
O77 O77 1.613(16) 8_575 ?
O77 O79 1.754(11) 8_575 ?
O79 O82 1.789(11) 8_575 ?
O82 O82 1.576(16) 8_575 ?
N12 C32 1.351(15) . ?
N12 C46 1.355(18) . ?
C14 H14 0.9300 . ?
C14 C32 1.311(15) . ?
C14 C40 1.368(19) . ?
C32 H32 0.9300 . ?
C37 H37 0.9300 . ?
C37 C40 1.35(2) . ?
C37 C46 1.342(19) . ?
C40 H40 0.9300 . ?
C46 H46 0.9300 . ?
C20 H20 0.9300 . ?
C20 N1 1.353(12) . ?
C20 C3 1.347(13) . ?
N1 H1 0.8600 . ?
N1 C17 1.331(11) . ?
C3 H3 0.9300 . ?
C3 C28 1.371(13) . ?
C6 H6 0.9300 . ?
C6 C17 1.375(13) . ?
C6 C28 1.350(13) . ?
C17 H17 0.9300 . ?
C28 H28 0.9300 . ?
O5 O6 1.26(12) . ?

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
O11 Mo2 O11 84.8(3) . 8_575 ?
O11 Mo2 O77 90.9(3) . . ?
O11 Mo2 O77 90.9(3) 8_575 8_575 ?
O11 Mo2 O77 64.5(3) . 8_575 ?
O11 Mo2 O77 64.5(3) 8_575 . ?
O22 Mo2 O11 86.9(2) 8_575 . ?
O22 Mo2 O11 87.0(2) . 8_575 ?
O22 Mo2 O11 156.9(3) . . ?
O22 Mo2 O11 156.9(3) 8_575 8_575 ?
O22 Mo2 O22 92.3(4) . 8_575 ?
O22 Mo2 O77 94.1(3) 8_575 . ?
O22 Mo2 O77 94.1(3) . 8_575 ?
O22 Mo2 O77 66.1(3) 8_575 8_575 ?
O22 Mo2 O77 66.1(3) . . ?
O25 Mo2 O11 101.0(3) . . ?
O25 Mo2 O11 101.0(3) . 8_575 ?
O25 Mo2 O22 101.7(3) . 8_575 ?
O25 Mo2 O22 101.7(3) . . ?
O25 Mo2 O77 160.59(19) . 8_575 ?
O25 Mo2 O77 160.58(19) . . ?
O77 Mo2 O77 38.6(4) 8_575 . ?
O4B Mo6 O12B 87.0(5) . . ?
O4B Mo6 O76 57.3(7) . . ?
O9 Mo6 O76 91.0(3) 8_575 . ?
O9 Mo6 O12A 86.1(4) 8_575 . ?
O11 Mo6 O4B 85.7(7) 8_575 . ?
O11 Mo6 O9 87.0(2) 8_575 8_575 ?
O11 Mo6 O12B 145.1(8) 8_575 . ?
O11 Mo6 O76 95.4(3) 8_575 . ?
O11 Mo6 O4A 99.2(6) 8_575 . ?
O11 Mo6 O12A 166.0(7) 8_575 . ?
O12B Mo6 O76 52.7(8) . . ?
O36 Mo6 O4B 113.8(9) . . ?
O36 Mo6 O9 99.7(3) . 8_575 ?
O36 Mo6 O11 102.1(3) . 8_575 ?
O36 Mo6 O12B 112.1(8) . . ?
O36 Mo6 O76 159.9(3) . . ?
O36 Mo6 O4A 92.8(10) . . ?
O36 Mo6 O12A 91.0(7) . . ?
O4A Mo6 O9 164.6(7) . 8_575 ?
O4A Mo6 O76 74.5(9) . . ?
O4A Mo6 O12A 84.8(5) . . ?
O12A Mo6 O76 72.6(7) . . ?
O8B Mo9 O79 56.5(8) . . ?
O8B Mo9 O47A 90.8(6) . 8_575 ?
O9 Mo9 O8B 146.3(10) . . ?
O9 Mo9 O22 87.7(2) . 8_575 ?
O9 Mo9 O79 93.9(3) . . ?
O9 Mo9 O8A 166.9(8) . . ?
O9 Mo9 O47A 95.8(5) . 8_575 ?
O22 Mo9 O79 93.3(3) 8_575 . ?
O22 Mo9 O8A 90.9(6) 8_575 . ?
O22 Mo9 O47A 166.5(7) 8_575 8_575 ?
O32 Mo9 O8B 111.5(9) . . ?
O32 Mo9 O9 101.4(3) . . ?
O32 Mo9 O22 101.2(3) . 8_575 ?
O32 Mo9 O47B 112.0(11) . 8_575 ?
O32 Mo9 O79 159.2(3) . . ?
O32 Mo9 O8A 91.6(8) . . ?
O32 Mo9 O47A 90.9(9) . 8_575 ?
O47B Mo9 O8B 87.1(5) 8_575 . ?
O47B Mo9 O9 87.1(6) 8_575 . ?
O47B Mo9 O79 54.4(9) 8_575 . ?
O47B Mo9 O47A 21.6(4) 8_575 8_575 ?
O8A Mo9 O79 73.2(7) . . ?
O47A Mo9 O79 73.5(8) 8_575 . ?
O47A Mo9 O8A 82.7(6) 8_575 . ?
O15 Mo14 O21 87.5(3) . . ?
O15 Mo14 O79 96.4(3) . 8_575 ?
O15 Mo14 O4 98.0(4) . 8_575 ?
O15 Mo14 O47A 167.6(8) . . ?
O16 Mo14 O15 101.9(3) . . ?
O16 Mo14 O21 102.0(3) . . ?
O16 Mo14 O47B 110.2(10) . . ?
O16 Mo14 O79 157.9(3) . 8_575 ?
O16 Mo14 O4 92.3(4) . 8_575 ?
O16 Mo14 O3 112.6(4) . 8_575 ?
O16 Mo14 O47A 90.5(8) . . ?
O21 Mo14 O79 91.0(3) . 8_575 ?
O21 Mo14 O47A 89.2(5) . . ?
O47B Mo14 O15 147.4(10) . . ?
O47B Mo14 O21 80.6(6) . . ?
O4 Mo14 O21 163.4(4) 8_575 . ?
O3 Mo14 O15 84.2(4) 8_575 . ?
O3 Mo14 O21 145.4(4) 8_575 . ?
O3 Mo14 O79 56.8(4) 8_575 8_575 ?
O3 Mo14 O4 22.5(3) 8_575 8_575 ?
O3 Mo14 O47A 91.8(5) 8_575 . ?
O47A Mo14 O79 71.7(8) . 8_575 ?
O1 Mo17 O6B 79.2(6) . . ?
O1 Mo17 O76 94.4(3) . . ?
O1 Mo17 O82 63.0(3) . . ?
O1 Mo17 O6A 92.9(7) . . ?
O1 Mo17 O12A 166.5(6) . . ?
O6B Mo17 O76 57.7(7) . . ?
O6B Mo17 O82 81.4(9) . . ?
O12B Mo17 O1 146.6(9) . . ?
O12B Mo17 O6B 88.0(5) . . ?
O12B Mo17 O21 86.6(5) . . ?
O12B Mo17 O76 53.3(8) . . ?
O12B Mo17 O82 84.8(9) . . ?
O21 Mo17 O1 87.5(3) . . ?
O21 Mo17 O6B 146.6(9) . . ?
O21 Mo17 O76 93.4(3) . . ?
O21 Mo17 O82 65.3(3) . . ?
O21 Mo17 O6A 167.0(7) . . ?
O21 Mo17 O12A 93.2(4) . . ?
O31 Mo17 O1 100.6(3) . . ?
O31 Mo17 O6B 111.4(8) . . ?
O31 Mo17 O12B 112.7(9) . . ?
O31 Mo17 O21 101.1(4) . . ?
O31 Mo17 O76 159.5(3) . . ?
O31 Mo17 O82 157.9(3) . . ?
O31 Mo17 O6A 91.6(8) . . ?
O31 Mo17 O12A 92.5(6) . . ?
O76 Mo17 O82 42.6(3) . . ?
O6A Mo17 O76 73.6(7) . . ?
O6A Mo17 O82 103.4(9) . . ?
O6A Mo17 O12A 83.5(6) . . ?
O12A Mo17 O76 72.1(6) . . ?
O12A Mo17 O82 105.1(6) . . ?
O8B Mo20 O8B 80.4(15) 8_575 . ?
O8B Mo20 O79 87.2(10) 8_575 . ?
O8B Mo20 O79 56.4(8) . . ?
O8B Mo20 O4 87.5(6) . . ?
O8B Mo20 O4 155.8(10) 8_575 . ?
O13 Mo20 O8B 113.2(10) . 8_575 ?
O13 Mo20 O8B 113.2(10) . . ?
O13 Mo20 O79 156.3(2) . 8_575 ?
O13 Mo20 O79 156.3(2) . . ?
O13 Mo20 O8A 94.0(8) . 8_575 ?
O13 Mo20 O8A 94.0(8) . . ?
O13 Mo20 O4 90.8(4) . . ?
O13 Mo20 O4 90.8(4) . 8_575 ?
O13 Mo20 O3 107.2(4) . . ?
O13 Mo20 O3 107.2(4) . 8_575 ?
O79 Mo20 O79 46.0(4) 8_575 . ?
O8A Mo20 O79 71.4(7) 8_575 8_575 ?
O8A Mo20 O79 71.4(7) . . ?
O8A Mo20 O79 107.6(8) 8_575 . ?
O8A Mo20 O79 107.6(8) . 8_575 ?
O8A Mo20 O8A 105.4(9) 8_575 . ?
O8A Mo20 O4 173.0(5) . 8_575 ?
O8A Mo20 O4 79.4(5) 8_575 8_575 ?
O4 Mo20 O79 102.4(4) 8_575 . ?
O4 Mo20 O79 68.7(3) . . ?
O3 Mo20 O79 82.9(4) . 8_575 ?
O3 Mo20 O79 82.9(4) 8_575 . ?
O3 Mo20 O79 55.9(4) . . ?
O3 Mo20 O79 55.9(4) 8_575 8_575 ?
O3 Mo20 O8A 153.0(6) 8_575 . ?
O3 Mo20 O8A 90.0(5) . . ?
O3 Mo20 O8A 90.0(5) 8_575 8_575 ?
O3 Mo20 O8A 153.0(6) . 8_575 ?
O3 Mo20 O4 20.1(4) 8_575 8_575 ?
O3 Mo20 O4 83.7(5) . 8_575 ?
O3 Mo20 O3 68.2(7) 8_575 . ?
O4B Mo21 O4B 71.1(17) 8_575 . ?
O4B Mo21 O76 83.6(10) 8_575 . ?
O4B Mo21 O76 55.7(7) . . ?
O6B Mo21 O4B 139.5(11) 8_575 . ?
O6B Mo21 O4B 92.7(5) . . ?
O6B Mo21 O76 86.5(9) 8_575 . ?
O6B Mo21 O76 57.4(6) . . ?
O7 Mo21 O4B 109.7(9) . . ?
O7 Mo21 O4B 109.7(9) . 8_575 ?
O7 Mo21 O6B 110.7(8) . . ?
O7 Mo21 O6B 110.7(8) . 8_575 ?
O7 Mo21 O76 157.0(2) . 8_575 ?
O7 Mo21 O76 157.0(2) . . ?
O7 Mo21 O6A 93.7(7) . . ?
O7 Mo21 O6A 93.7(7) . 8_575 ?
O7 Mo21 O4A 92.8(7) . . ?
O7 Mo21 O4A 92.8(7) . 8_575 ?
O76 Mo21 O76 45.7(4) . 8_575 ?
O6A Mo21 O76 69.7(6) . . ?
O6A Mo21 O76 105.8(7) . 8_575 ?
O6A Mo21 O76 69.7(6) 8_575 8_575 ?
O6A Mo21 O76 105.8(7) 8_575 . ?
O6A Mo21 O6A 105.3(11) . 8_575 ?
O6A Mo21 O4A 78.2(6) . . ?
O6A Mo21 O4A 172.4(8) 8_575 . ?
O6A Mo21 O4A 172.4(8) . 8_575 ?
O6A Mo21 O4A 78.2(6) 8_575 8_575 ?
O4A Mo21 O76 102.9(8) 8_575 . ?
O4A Mo21 O76 102.9(8) . 8_575 ?
O4A Mo21 O76 68.9(6) 8_575 8_575 ?
O4A Mo21 O76 68.9(6) . . ?
O4A Mo21 O4A 97.5(9) 8_575 . ?
O1 Mo23 O1 89.9(4) 8_575 . ?
O1 Mo23 O15 156.0(3) . 8_575 ?
O1 Mo23 O15 87.9(3) 8_575 8_575 ?
O1 Mo23 O15 156.0(3) 8_575 . ?
O1 Mo23 O15 87.9(3) . . ?
O1 Mo23 O82 92.3(3) . 8_575 ?
O1 Mo23 O82 92.3(3) 8_575 . ?
O1 Mo23 O82 65.4(3) 8_575 8_575 ?
O1 Mo23 O82 65.4(3) . . ?
O2 Mo23 O1 102.5(3) . . ?
O2 Mo23 O1 102.5(3) . 8_575 ?
O2 Mo23 O15 101.3(3) . 8_575 ?
O2 Mo23 O15 101.3(3) . . ?
O2 Mo23 O82 161.1(2) . . ?
O2 Mo23 O82 161.1(2) . 8_575 ?
O15 Mo23 O15 84.4(3) 8_575 . ?
O15 Mo23 O82 90.8(3) . 8_575 ?
O15 Mo23 O82 65.2(3) . . ?
O15 Mo23 O82 90.8(3) 8_575 . ?
O15 Mo23 O82 65.2(3) 8_575 8_575 ?
O82 Mo23 O82 37.7(4) . 8_575 ?
O76 P1 O76 75.7(6) 8_575 . ?
O77 P1 O76 69.9(4) 8_575 8_575 ?
O77 P1 O76 109.3(4) . 8_575 ?
O77 P1 O76 109.3(4) 8_575 . ?
O77 P1 O76 69.9(4) . . ?
O77 P1 O77 66.6(6) 8_575 . ?
O77 P1 O79 109.5(4) . . ?
O77 P1 O79 70.2(4) . 8_575 ?
O77 P1 O79 70.2(4) 8_575 . ?
O77 P1 O79 109.5(4) 8_575 8_575 ?
O77 P1 O82 178.6(5) 8_575 . ?
O77 P1 O82 114.7(4) 8_575 8_575 ?
O77 P1 O82 178.6(4) . 8_575 ?
O77 P1 O82 114.7(4) . . ?
O79 P1 O76 179.4(4) . . ?
O79 P1 O76 104.4(4) . 8_575 ?
O79 P1 O76 104.4(4) 8_575 . ?
O79 P1 O76 179.4(4) 8_575 8_575 ?
O79 P1 O79 75.6(6) . 8_575 ?
O82 P1 O76 109.3(4) 8_575 . ?
O82 P1 O76 71.4(4) 8_575 8_575 ?
O82 P1 O76 109.3(4) . 8_575 ?
O82 P1 O76 71.4(4) . . ?
O82 P1 O79 71.3(4) 8_575 . ?
O82 P1 O79 71.3(4) . 8_575 ?
O82 P1 O79 109.2(4) 8_575 8_575 ?
O82 P1 O79 109.2(4) . . ?
O82 P1 O82 63.9(6) 8_575 . ?
Mo23 O1 Mo17 139.3(4) . . ?
Mo21 O4B Mo6 148.7(6) . . ?
Mo21 O6B Mo17 147.1(6) . . ?
Mo20 O8B Mo9 149.9(8) . . ?
Mo9 O9 Mo6 139.1(3) . 8_575 ?
Mo6 O11 Mo2 139.9(4) 8_575 . ?
Mo17 O12B Mo6 153.6(10) . . ?
Mo14 O15 Mo23 138.9(4) . . ?
Mo17 O21 Mo14 139.9(4) . . ?
Mo2 O22 Mo9 138.8(4) . 8_575 ?
Mo9 O47B Mo14 152.6(11) 8_575 . ?
Mo6 O76 Mo17 95.3(3) . . ?
Mo6 O76 Mo21 92.5(3) . . ?
Mo17 O76 Mo21 92.3(3) . . ?
P1 O76 Mo6 125.2(4) . . ?
P1 O76 Mo17 123.8(4) . . ?
P1 O76 Mo21 119.2(5) . . ?
P1 O76 O77 52.1(4) . . ?
P1 O76 O82 52.0(4) . . ?
O77 O76 Mo6 73.2(4) . . ?
O77 O76 Mo17 135.4(5) . . ?
O77 O76 Mo21 130.2(5) . . ?
O77 O76 O82 89.4(5) . . ?
O82 O76 Mo6 139.8(5) . . ?
O82 O76 Mo17 71.8(4) . . ?
O82 O76 Mo21 125.1(5) . . ?
P1 O77 Mo2 127.3(4) . . ?
P1 O77 O76 58.0(4) . . ?
P1 O77 O77 56.7(3) . 8_575 ?
P1 O77 O79 57.8(4) . 8_575 ?
O76 O77 Mo2 135.4(5) . . ?
O76 O77 O79 90.9(5) . 8_575 ?
O77 O77 Mo2 70.71(19) 8_575 . ?
O77 O77 O76 95.3(4) 8_575 . ?
O77 O77 O79 95.3(4) 8_575 8_575 ?
O79 O77 Mo2 131.3(5) 8_575 . ?
Mo9 O79 Mo14 94.6(3) . 8_575 ?
Mo9 O79 Mo20 92.6(3) . . ?
Mo14 O79 Mo20 93.3(3) 8_575 . ?
P1 O79 Mo9 124.9(4) . . ?
P1 O79 Mo14 124.0(4) . 8_575 ?
P1 O79 Mo20 119.2(5) . . ?
P1 O79 O77 52.0(4) . 8_575 ?
P1 O79 O82 52.0(4) . 8_575 ?
O77 O79 Mo9 72.9(4) 8_575 . ?
O77 O79 Mo14 138.4(5) 8_575 8_575 ?
O77 O79 Mo20 126.0(5) 8_575 . ?
O77 O79 O82 89.3(5) 8_575 8_575 ?
O82 O79 Mo9 135.6(5) 8_575 . ?
O82 O79 Mo14 72.0(4) 8_575 8_575 ?
O82 O79 Mo20 129.4(5) 8_575 . ?
Mo23 O82 Mo17 91.5(3) . . ?
P1 O82 Mo17 122.2(4) . . ?
P1 O82 Mo23 129.2(5) . . ?
P1 O82 O76 56.7(4) . . ?
P1 O82 O79 56.7(4) . 8_575 ?
P1 O82 O82 58.0(3) . 8_575 ?
O76 O82 Mo17 65.6(4) . . ?
O76 O82 Mo23 133.4(5) . . ?
O79 O82 Mo17 123.2(5) 8_575 . ?
O79 O82 Mo23 136.2(5) 8_575 . ?
O79 O82 O76 88.3(5) 8_575 . ?
O82 O82 Mo17 134.28(18) 8_575 . ?
O82 O82 Mo23 71.16(19) 8_575 . ?
O82 O82 O76 95.8(4) 8_575 . ?
O82 O82 O79 95.7(4) 8_575 8_575 ?
C32 N12 C46 119.2(11) . . ?
C32 C14 H14 120.0 . . ?
C32 C14 C40 120.1(11) . . ?
C40 C14 H14 120.0 . . ?
N12 C32 H32 119.0 . . ?
C14 C32 N12 122.1(11) . . ?
C14 C32 H32 119.0 . . ?
C40 C37 H37 118.7 . . ?
C46 C37 H37 118.7 . . ?
C46 C37 C40 122.6(13) . . ?
C14 C40 H40 121.2 . . ?
C37 C40 C14 117.6(12) . . ?
C37 C40 H40 121.2 . . ?
N12 C46 H46 120.8 . . ?
C37 C46 N12 118.4(12) . . ?
C37 C46 H46 120.8 . . ?
N1 C20 H20 120.0 . . ?
C3 C20 H20 120.0 . . ?
C3 C20 N1 120.1(8) . . ?
C20 N1 H1 119.3 . . ?
C17 N1 C20 121.4(9) . . ?
C17 N1 H1 119.3 . . ?
C20 C3 H3 120.6 . . ?
C20 C3 C28 118.8(8) . . ?
C28 C3 H3 120.6 . . ?
C17 C6 H6 120.5 . . ?
C28 C6 H6 120.5 . . ?
C28 C6 C17 119.0(8) . . ?
N1 C17 C6 119.6(8) . . ?
N1 C17 H17 120.2 . . ?
C6 C17 H17 120.2 . . ?
C3 C28 H28 119.5 . . ?
C6 C28 C3 121.0(9) . . ?
C6 C28 H28 119.5 . . ?
Mo9 O8A Mo20 122.2(14) . . ?
Mo17 O6A Mo21 123.4(13) . . ?
Mo6 O4A Mo21 123.6(15) . . ?
Mo6 O12A Mo17 119.8(12) . . ?
Mo14 O4 Mo20 124.8(6) 8_575 . ?
Mo20 O3 Mo14 147.1(6) . 8_575 ?
Mo9 O47A Mo14 120.1(15) 8_575 . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Mo6 O76 O77 Mo2 64.7(6) . . . . ?
Mo6 O76 O77 P1 177.4(4) . . . . ?
Mo6 O76 O77 O77 132.51(15) . . . 8_575 ?
Mo6 O76 O77 O79 -132.1(4) . . . 8_575 ?
Mo6 O76 O82 Mo17 -76.3(7) . . . . ?
Mo6 O76 O82 Mo23 -143.3(6) . . . . ?
Mo6 O76 O82 P1 102.0(8) . . . . ?
Mo6 O76 O82 O79 51.7(9) . . . 8_575 ?
Mo6 O76 O82 O82 147.3(7) . . . 8_575 ?
Mo17 O76 O77 Mo2 145.0(5) . . . . ?
Mo17 O76 O77 P1 -102.3(7) . . . . ?
Mo17 O76 O77 O77 -147.2(6) . . . 8_575 ?
Mo17 O76 O77 O79 -51.9(8) . . . 8_575 ?
Mo17 O76 O82 Mo23 -67.0(6) . . . . ?
Mo17 O76 O82 P1 178.3(4) . . . . ?
Mo17 O76 O82 O79 128.0(4) . . . 8_575 ?
Mo17 O76 O82 O82 -136.45(15) . . . 8_575 ?
Mo21 O76 O77 Mo2 -13.9(11) . . . . ?
Mo21 O76 O77 P1 98.8(6) . . . . ?
Mo21 O76 O77 O77 53.9(6) . . . 8_575 ?
Mo21 O76 O77 O79 149.2(6) . . . 8_575 ?
Mo21 O76 O82 Mo17 79.7(5) . . . . ?
Mo21 O76 O82 Mo23 12.7(10) . . . . ?
Mo21 O76 O82 P1 -102.0(6) . . . . ?
Mo21 O76 O82 O79 -152.3(5) . . . 8_575 ?
Mo21 O76 O82 O82 -56.7(5) . . . 8_575 ?
P1 O76 O77 Mo2 -112.7(7) . . . . ?
P1 O76 O77 O77 -44.9(3) . . . 8_575 ?
P1 O76 O77 O79 50.5(4) . . . 8_575 ?
P1 O76 O82 Mo17 -178.3(4) . . . . ?
P1 O76 O82 Mo23 114.7(7) . . . . ?
P1 O76 O82 O79 -50.3(4) . . . 8_575 ?
P1 O76 O82 O82 45.3(3) . . . 8_575 ?
O1 Mo17 O12B Mo6 -49(4) . . . . ?
O1 Mo17 O21 Mo14 -53.3(7) . . . . ?
O1 Mo23 O1 Mo17 102.9(5) 8_575 . . . ?
O2 Mo23 O1 Mo17 -154.3(5) . . . . ?
O4B Mo6 O12B Mo17 -17(3) . . . . ?
O4B Mo21 O4B Mo6 127(3) 8_575 . . . ?
O4B Mo21 O6B Mo17 16(3) . . . . ?
O4B Mo21 O6B Mo17 -48(4) 8_575 . . . ?
O6B Mo17 O12B Mo6 18(3) . . . . ?
O6B Mo17 O21 Mo14 12.6(12) . . . . ?
O6B Mo21 O4B Mo6 -15(4) . . . . ?
O6B Mo21 O4B Mo6 56(5) 8_575 . . . ?
O6B Mo21 O6B Mo17 -125(3) 8_575 . . . ?
O7 Mo21 O4B Mo6 -128(3) . . . . ?
O7 Mo21 O6B Mo17 128(3) . . . . ?
O8B Mo9 O9 Mo6 -13.7(10) . . . 8_575 ?
O8B Mo20 O8B Mo9 122(3) 8_575 . . . ?
O9 Mo6 O4B Mo21 -54(4) 8_575 . . . ?
O9 Mo6 O12B Mo17 131(3) 8_575 . . . ?
O9 Mo6 O4A Mo21 27(4) 8_575 . . . ?
O11 Mo2 O22 Mo9 -54.6(6) 8_575 . . 8_575 ?
O11 Mo2 O22 Mo9 14.7(10) . . . 8_575 ?
O11 Mo6 O4B Mo21 -132(4) 8_575 . . . ?
O11 Mo6 O12B Mo17 61(3) 8_575 . . . ?
O11 Mo6 O4A Mo21 -86.0(9) 8_575 . . . ?
O12B Mo6 O4B Mo21 14(4) . . . . ?
O12B Mo17 O21 Mo14 93.9(11) . . . . ?
O13 Mo20 O8B Mo9 -127(3) . . . . ?
O13 Mo20 O3 Mo14 127.9(12) . . . 8_575 ?
O15 Mo14 O47B Mo9 58(4) . . . 8_575 ?
O15 Mo23 O1 Mo17 -53.2(5) . . . . ?
O15 Mo23 O1 Mo17 18.1(10) 8_575 . . . ?
O16 Mo14 O15 Mo23 -154.8(5) . . . . ?
O16 Mo14 O47B Mo9 -132(4) . . . 8_575 ?
O21 Mo14 O15 Mo23 -53.1(5) . . . . ?
O21 Mo14 O47B Mo9 128(4) . . . 8_575 ?
O21 Mo17 O12B Mo6 -129(3) . . . . ?
O22 Mo2 O22 Mo9 102.3(4) 8_575 . . 8_575 ?
O22 Mo9 O9 Mo6 53.1(6) 8_575 . . 8_575 ?
O25 Mo2 O22 Mo9 -155.2(5) . . . 8_575 ?
O31 Mo17 O12B Mo6 130(3) . . . . ?
O31 Mo17 O21 Mo14 -153.6(7) . . . . ?
O32 Mo9 O9 Mo6 154.0(6) . . . 8_575 ?
O36 Mo6 O4B Mo21 127(3) . . . . ?
O36 Mo6 O12B Mo17 -132(3) . . . . ?
O36 Mo6 O4A Mo21 171.3(9) . . . . ?
O47B Mo9 O9 Mo6 -94.1(11) 8_575 . . 8_575 ?
O47B Mo14 O15 Mo23 15.2(10) . . . . ?
O76 Mo6 O4B Mo21 -32(3) . . . . ?
O76 Mo6 O12B Mo17 33(3) . . . . ?
O76 Mo6 O4A Mo21 7.1(8) . . . . ?
O76 Mo17 O12B Mo6 -32(3) . . . . ?
O76 Mo17 O21 Mo14 41.0(7) . . . . ?
O76 Mo21 O4B Mo6 71(4) 8_575 . . . ?
O76 Mo21 O4B Mo6 32(3) . . . . ?
O76 Mo21 O6B Mo17 -67(3) 8_575 . . . ?
O76 Mo21 O6B Mo17 -30(3) . . . . ?
O76 P1 O76 Mo6 114.1(4) 8_575 . . . ?
O76 P1 O76 Mo17 -118.4(4) 8_575 . . . ?
O76 P1 O76 Mo21 -3.0(6) 8_575 . . . ?
O76 P1 O76 O77 117.1(4) 8_575 . . . ?
O76 P1 O76 O82 -116.5(4) 8_575 . . . ?
O76 P1 O77 Mo2 59.5(6) 8_575 . . . ?
O76 P1 O77 Mo2 125.5(6) . . . . ?
O76 P1 O77 O76 -66.0(6) 8_575 . . . ?
O76 P1 O77 O77 56.8(4) 8_575 . . 8_575 ?
O76 P1 O77 O77 122.7(4) . . . 8_575 ?
O76 P1 O77 O79 179.6(5) 8_575 . . 8_575 ?
O76 P1 O77 O79 -114.4(5) . . . 8_575 ?
O76 P1 O79 Mo9 -59.9(6) 8_575 . . . ?
O76 P1 O79 Mo14 66.2(6) 8_575 . . 8_575 ?
O76 P1 O79 Mo20 -176.7(4) 8_575 . . . ?
O76 P1 O79 O77 -62.0(5) 8_575 . . 8_575 ?
O76 P1 O79 O82 64.2(5) 8_575 . . 8_575 ?
O76 P1 O82 Mo17 68.6(6) 8_575 . . . ?
O76 P1 O82 Mo17 1.9(4) . . . . ?
O76 P1 O82 Mo23 -54.9(6) 8_575 . . . ?
O76 P1 O82 Mo23 -121.7(6) . . . . ?
O76 P1 O82 O76 66.8(6) 8_575 . . . ?
O76 P1 O82 O79 179.7(5) 8_575 . . 8_575 ?
O76 P1 O82 O79 113.0(5) . . . 8_575 ?
O76 P1 O82 O82 -56.8(4) 8_575 . . 8_575 ?
O76 P1 O82 O82 -123.5(4) . . . 8_575 ?
O77 Mo2 O22 Mo9 36.1(6) 8_575 . . 8_575 ?
O77 Mo2 O22 Mo9 8.9(5) . . . 8_575 ?
O77 P1 O76 Mo6 -3.0(5) . . . . ?
O77 P1 O76 Mo6 51.8(6) 8_575 . . . ?
O77 P1 O76 Mo17 124.4(6) . . . . ?
O77 P1 O76 Mo17 179.3(5) 8_575 . . . ?
O77 P1 O76 Mo21 -120.1(5) . . . . ?
O77 P1 O76 Mo21 -65.2(6) 8_575 . . . ?
O77 P1 O76 O77 54.9(6) 8_575 . . . ?
O77 P1 O76 O82 126.4(5) . . . . ?
O77 P1 O76 O82 -178.7(5) 8_575 . . . ?
O77 P1 O77 Mo2 2.7(7) 8_575 . . . ?
O77 P1 O77 O76 -122.7(4) 8_575 . . . ?
O77 P1 O77 O79 122.9(4) 8_575 . . 8_575 ?
O77 P1 O79 Mo9 57.0(6) . . . . ?
O77 P1 O79 Mo9 2.1(5) 8_575 . . . ?
O77 P1 O79 Mo14 -176.9(5) . . . 8_575 ?
O77 P1 O79 Mo14 128.2(6) 8_575 . . 8_575 ?
O77 P1 O79 Mo20 -114.7(5) 8_575 . . . ?
O77 P1 O79 Mo20 -59.8(5) . . . . ?
O77 P1 O79 O77 54.9(6) . . . 8_575 ?
O77 P1 O79 O82 -178.9(5) . . . 8_575 ?
O77 P1 O79 O82 126.2(5) 8_575 . . 8_575 ?
O77 P1 O82 Mo17 -54.4(6) . . . . ?
O77 P1 O82 Mo23 -178.0(5) . . . . ?
O77 P1 O82 O76 -56.3(5) . . . . ?
O77 P1 O82 O79 56.7(5) . . . 8_575 ?
O77 P1 O82 O82 -179.9(5) . . . 8_575 ?
O77 O76 O82 Mo17 -138.8(5) . . . . ?
O77 O76 O82 Mo23 154.2(6) . . . . ?
O77 O76 O82 P1 39.4(4) . . . . ?
O77 O76 O82 O79 -10.9(5) . . . 8_575 ?
O77 O76 O82 O82 84.7(4) . . . 8_575 ?
O79 Mo9 O9 Mo6 -40.1(6) . . . 8_575 ?
O79 Mo14 O15 Mo23 37.6(5) 8_575 . . . ?
O79 Mo14 O47B Mo9 30(3) 8_575 . . 8_575 ?
O79 Mo20 O8B Mo9 65(4) 8_575 . . . ?
O79 Mo20 O8B Mo9 29(3) . . . . ?
O79 Mo20 O3 Mo14 -74.1(12) 8_575 . . 8_575 ?
O79 Mo20 O3 Mo14 -33.7(10) . . . 8_575 ?
O79 P1 O76 Mo6 -65.2(6) 8_575 . . . ?
O79 P1 O76 Mo17 62.2(6) 8_575 . . . ?
O79 P1 O76 Mo21 177.7(4) 8_575 . . . ?
O79 P1 O76 O77 -62.2(5) 8_575 . . . ?
O79 P1 O76 O82 64.2(5) 8_575 . . . ?
O79 P1 O77 Mo2 -120.1(6) 8_575 . . . ?
O79 P1 O77 Mo2 -54.2(6) . . . . ?
O79 P1 O77 O76 114.4(5) 8_575 . . . ?
O79 P1 O77 O76 -179.7(5) . . . . ?
O79 P1 O77 O77 -122.9(4) 8_575 . . 8_575 ?
O79 P1 O77 O77 -57.0(4) . . . 8_575 ?
O79 P1 O77 O79 65.9(6) . . . 8_575 ?
O79 P1 O79 Mo9 119.5(4) 8_575 . . . ?
O79 P1 O79 Mo14 -114.5(4) 8_575 . . 8_575 ?
O79 P1 O79 Mo20 2.6(6) 8_575 . . . ?
O79 P1 O79 O77 117.4(4) 8_575 . . 8_575 ?
O79 P1 O79 O82 -116.4(4) 8_575 . . 8_575 ?
O79 P1 O82 Mo17 -111.1(6) 8_575 . . . ?
O79 P1 O82 Mo17 -177.8(4) . . . . ?
O79 P1 O82 Mo23 125.3(6) 8_575 . . . ?
O79 P1 O82 Mo23 58.6(6) . . . . ?
O79 P1 O82 O76 -113.0(5) 8_575 . . . ?
O79 P1 O82 O76 -179.7(5) . . . . ?
O79 P1 O82 O79 -66.7(6) . . . 8_575 ?
O79 P1 O82 O82 56.8(4) . . . 8_575 ?
O79 P1 O82 O82 123.5(4) 8_575 . . 8_575 ?
O82 Mo17 O12B Mo6 -64(3) . . . . ?
O82 Mo17 O21 Mo14 8.0(6) . . . . ?
O82 Mo23 O1 Mo17 10.3(5) . . . . ?
O82 Mo23 O1 Mo17 37.5(5) 8_575 . . . ?
O82 P1 O76 Mo6 178.1(5) 8_575 . . . ?
O82 P1 O76 Mo6 -129.4(6) . . . . ?
O82 P1 O76 Mo17 -2.0(5) . . . . ?
O82 P1 O76 Mo17 -54.5(6) 8_575 . . . ?
O82 P1 O76 Mo21 61.0(5) 8_575 . . . ?
O82 P1 O76 Mo21 113.5(5) . . . . ?
O82 P1 O76 O77 -126.4(5) . . . . ?
O82 P1 O76 O77 -178.9(5) 8_575 . . . ?
O82 P1 O76 O82 -52.5(6) 8_575 . . . ?
O82 P1 O77 Mo2 -177.4(5) . . . . ?
O82 P1 O77 O76 57.1(5) . . . . ?
O82 P1 O77 O77 179.9(5) . . . 8_575 ?
O82 P1 O77 O79 -57.3(5) . . . 8_575 ?
O82 P1 O79 Mo9 -176.6(5) . . . . ?
O82 P1 O79 Mo9 -124.1(6) 8_575 . . . ?
O82 P1 O79 Mo14 1.9(5) 8_575 . . 8_575 ?
O82 P1 O79 Mo14 -50.6(6) . . . 8_575 ?
O82 P1 O79 Mo20 66.6(5) . . . . ?
O82 P1 O79 Mo20 119.0(5) 8_575 . . . ?
O82 P1 O79 O77 -126.2(5) 8_575 . . 8_575 ?
O82 P1 O79 O77 -178.7(5) . . . 8_575 ?
O82 P1 O79 O82 -52.5(6) . . . 8_575 ?
O82 P1 O82 Mo17 125.4(3) 8_575 . . . ?
O82 P1 O82 Mo23 1.9(7) 8_575 . . . ?
O82 P1 O82 O76 123.5(4) 8_575 . . . ?
O82 P1 O82 O79 -123.5(4) 8_575 . . 8_575 ?
O82 O76 O77 Mo2 -152.0(6) . . . . ?
O82 O76 O77 P1 -39.4(4) . . . . ?
O82 O76 O77 O77 -84.3(4) . . . 8_575 ?
O82 O76 O77 O79 11.1(5) . . . 8_575 ?
C32 N12 C46 C37 -2(2) . . . . ?
C32 C14 C40 C37 3(2) . . . . ?
C40 C14 C32 N12 -2(2) . . . . ?
C40 C37 C46 N12 3(2) . . . . ?
C46 N12 C32 C14 1(2) . . . . ?
C46 C37 C40 C14 -3(2) . . . . ?
C20 N1 C17 C6 1.2(15) . . . . ?
C20 C3 C28 C6 0.4(16) . . . . ?
N1 C20 C3 C28 -1.5(15) . . . . ?
C3 C20 N1 C17 0.7(15) . . . . ?
C17 C6 C28 C3 1.4(17) . . . . ?
C28 C6 C17 N1 -2.2(15) . . . . ?
O8A Mo9 O9 Mo6 -31(3) . . . 8_575 ?
O8A Mo20 O3 Mo14 33.7(14) . . . 8_575 ?
O8A Mo20 O3 Mo14 -92(2) 8_575 . . 8_575 ?
O6A Mo17 O21 Mo14 39(3) . . . . ?
O12A Mo6 O4A Mo21 80.5(11) . . . . ?
O12A Mo17 O21 Mo14 113.2(9) . . . . ?
O4 Mo14 O15 Mo23 111.2(6) 8_575 . . . ?
O4 Mo14 O47B Mo9 -41(4) 8_575 . . 8_575 ?
O4 Mo20 O8B Mo9 -37(3) . . . . ?
O4 Mo20 O8B Mo9 60(4) 8_575 . . . ?
O3 Mo14 O15 Mo23 93.3(6) 8_575 . . . ?
O3 Mo20 O3 Mo14 -130.1(11) 8_575 . . 8_575 ?
O47A Mo9 O9 Mo6 -113.9(10) 8_575 . . 8_575 ?
O47A Mo14 O15 Mo23 21(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
