# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 1949159'
loop_
_audit_author_name
_audit_author_address
'Li Xu'
;Fujian Institute of Research on the Structure of Matter, Chinese Academy of Science
China
;
_audit_update_record             
;
2019-08-25 deposited with the CCDC.	2019-11-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C25 H57 Mo18 N8 O59 Sb3'
_chemical_formula_weight         3505.95

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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'

_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.
;

loop_
_space_group_symop_operation_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                   17.6129(6)
_cell_length_b                   20.4536(5)
_cell_length_c                   20.3947(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     7347.1(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    7077
_cell_measurement_theta_min      2.51
_cell_measurement_theta_max      26.36

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    3.170
_exptl_crystal_F_000             6576
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_exptl_absorpt_coefficient_mu    4.152
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.2021
_exptl_absorpt_correction_T_max  0.2602
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            58990
_diffrn_reflns_av_unetI/netI     0.0540
_diffrn_reflns_av_R_equivalents  0.1019
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.308
_diffrn_reflns_theta_max         26.397
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             7742
_reflns_number_gt                5760
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'Diamond 3.0'
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0300P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7742
_refine_ls_number_parameters     556
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.0712
_refine_ls_R_factor_gt           0.0441
_refine_ls_wR_factor_ref         0.0986
_refine_ls_wR_factor_gt          0.0888
_refine_ls_goodness_of_fit_ref   1.265
_refine_ls_restrained_S_all      1.264
_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_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
Sb1 Sb 0.32640(4) 0.250000 -0.48935(4) 0.01862(18) Uani 1 2 d S T P . .
Sb2 Sb 0.01915(5) 0.250000 -0.31614(4) 0.02312(19) Uani 1 2 d S T P . .
Sb3 Sb 0.49445(5) 0.250000 -0.66584(5) 0.0304(2) Uani 1 2 d S T P . .
Mo1 Mo 0.02658(6) 0.250000 -0.59487(5) 0.0181(2) Uani 1 2 d S T P . .
Mo2 Mo 0.14216(4) 0.31184(3) -0.63384(4) 0.01768(16) Uani 1 1 d . . . . .
Mo3 Mo -0.00038(4) 0.34798(3) -0.44226(4) 0.01999(17) Uani 1 1 d . . . . .
Mo4 Mo 0.16300(4) 0.34771(3) -0.34600(4) 0.01951(17) Uani 1 1 d . . . . .
Mo5 Mo 0.15708(4) 0.42356(3) -0.48908(4) 0.01944(17) Uani 1 1 d . . . . .
Mo6 Mo 0.36855(4) 0.33188(3) -0.33584(4) 0.02242(18) Uani 1 1 d . . . . .
Mo7 Mo 0.36417(4) 0.42588(3) -0.49376(4) 0.02336(18) Uani 1 1 d . . . . .
Mo8 Mo 0.35186(4) 0.34799(3) -0.63418(4) 0.02281(18) Uani 1 1 d . . . . .
Mo9 Mo 0.51706(4) 0.34504(3) -0.53969(4) 0.02734(19) Uani 1 1 d . . . . .
Mo10 Mo 0.51981(6) 0.250000 -0.38508(6) 0.0262(3) Uani 1 2 d S T P . .
O1 O 0.0437(3) 0.3467(2) -0.3499(3) 0.0225(13) Uani 1 1 d . . . . .
O2 O 0.1334(4) 0.250000 -0.3293(4) 0.0194(18) Uani 1 2 d S T P . .
O3 O 0.1340(4) 0.250000 -0.5556(4) 0.0178(17) Uani 1 2 d S T P . .
O4 O 0.2574(3) 0.4016(2) -0.4914(3) 0.0237(14) Uani 1 1 d . . . . .
O5 O 0.0363(3) 0.3196(2) -0.6578(3) 0.0237(13) Uani 1 1 d . . . . .
O6 O 0.1643(5) 0.250000 -0.7023(4) 0.0216(19) Uani 1 2 d S T P . .
O7 O 0.3532(5) 0.250000 -0.2878(4) 0.0243(19) Uani 1 2 d S T P . .
O8 O -0.0062(3) 0.3153(2) -0.5240(3) 0.0217(13) Uani 1 1 d . . . . .
O9 O 0.4742(3) 0.4241(3) -0.5158(3) 0.0295(15) Uani 1 1 d . . . . .
O10 O 0.4779(3) 0.3175(3) -0.3323(3) 0.0259(14) Uani 1 1 d . . . . .
O11 O 0.2587(3) 0.3218(2) -0.3638(3) 0.0227(13) Uani 1 1 d . . . . .
O12 O 0.1573(4) 0.5058(2) -0.5003(3) 0.0284(15) Uani 1 1 d . . . . .
O13 O 0.2569(3) 0.3210(2) -0.6158(3) 0.0227(13) Uani 1 1 d . . . . .
O14 O 0.0416(3) 0.4271(2) -0.4629(3) 0.0230(13) Uani 1 1 d . . . . .
O15 O 0.3778(3) 0.3906(2) -0.4087(3) 0.0229(14) Uani 1 1 d . . . . .
O16 O 0.3519(3) 0.4272(2) -0.5941(3) 0.0231(13) Uani 1 1 d . . . . .
O17 O 0.1322(3) 0.3885(2) -0.5691(3) 0.0209(13) Uani 1 1 d . . . . .
O18 O 0.3815(5) 0.250000 -0.6513(4) 0.0248(19) Uani 1 2 d S T P . .
O19 O 0.4729(3) 0.3454(2) -0.6313(3) 0.0293(15) Uani 1 1 d . . . . .
O20 O 0.3575(4) 0.5069(2) -0.4809(3) 0.0316(15) Uani 1 1 d . . . . .
O21 O 0.3861(3) 0.3217(2) -0.5298(3) 0.0217(13) Uani 1 1 d . . . . .
O22 O -0.0086(4) 0.250000 -0.4110(4) 0.0226(19) Uani 1 2 d S T P . .
O23 O 0.5240(5) 0.250000 -0.5693(4) 0.030(2) Uani 1 2 d S T P . .
O24 O 0.3589(3) 0.3837(3) -0.2729(3) 0.0315(15) Uani 1 1 d . . . . .
O25 O 0.1284(3) 0.3263(3) -0.4499(3) 0.0186(12) Uani 1 1 d D . . . .
O26 O 0.5283(3) 0.3138(3) -0.4560(3) 0.0293(15) Uani 1 1 d . . . . .
O27 O -0.0900(3) 0.3690(3) -0.4230(3) 0.0261(14) Uani 1 1 d . . . . .
O28 O 0.3506(4) 0.3709(3) -0.7143(3) 0.0300(15) Uani 1 1 d . . . . .
O29 O 0.1675(3) 0.3713(3) -0.2662(3) 0.0281(14) Uani 1 1 d . . . . .
O30 O 0.3890(4) 0.250000 -0.4099(4) 0.0230(19) Uani 1 2 d S T P . .
O31 O 0.1645(3) 0.4264(2) -0.3882(3) 0.0214(13) Uani 1 1 d . . . . .
O32 O 0.6064(3) 0.3669(3) -0.5587(3) 0.0361(16) Uani 1 1 d . . . . .
O33 O 0.6089(5) 0.250000 -0.3558(5) 0.039(2) Uani 1 2 d S T P . .
O34 O 0.2518(6) 0.3785(6) -0.0125(8) 0.157(6) Uani 1 1 d . . . . .
N1 N -0.0981(6) 0.250000 -0.6169(6) 0.026(2) Uani 1 2 d S T P . .
N2 N 0.1666(4) 0.3890(3) -0.7083(3) 0.0220(16) Uani 1 1 d . . . . .
N3 N 0.2564(7) 0.250000 -0.1864(8) 0.050(4) Uani 1 2 d DS T P . .
N4 N -0.0357(5) 0.5509(4) -0.8873(5) 0.046(2) Uani 1 1 d D . . . .
N5 N -0.0271(5) 0.4473(4) -0.6040(4) 0.037(2) Uani 1 1 d D . . . .
C1 C -0.1240(8) 0.250000 -0.6777(8) 0.040(4) Uani 1 2 d S T P . .
H1A H -0.089012 0.250000 -0.713161 0.048 Uiso 1 2 calc R U P . .
C2 C -0.2014(9) 0.250000 -0.6907(8) 0.038(4) Uani 1 2 d S T P . .
H2A H -0.219015 0.250000 -0.734685 0.046 Uiso 1 2 calc R U P . .
C3 C -0.2511(9) 0.250000 -0.6410(9) 0.052(5) Uani 1 2 d S T P . .
H3A H -0.304000 0.250000 -0.650072 0.063 Uiso 1 2 calc R U P . .
C4 C -0.2263(9) 0.250000 -0.5764(8) 0.046(4) Uani 1 2 d S T P . .
H4A H -0.261037 0.250000 -0.540774 0.055 Uiso 1 2 calc R U P . .
C5 C -0.1478(8) 0.250000 -0.5662(8) 0.044(4) Uani 1 2 d S T P . .
H5A H -0.128793 0.250000 -0.522583 0.052 Uiso 1 2 calc R U P . .
C6 C 0.1993(5) 0.4457(4) -0.6896(5) 0.028(2) Uani 1 1 d . . . . .
H6A H 0.206570 0.454103 -0.644190 0.034 Uiso 1 1 calc R U . . .
C7 C 0.2222(6) 0.4912(4) -0.7343(5) 0.037(3) Uani 1 1 d . . . . .
H7A H 0.243753 0.531332 -0.719987 0.044 Uiso 1 1 calc R U . . .
C8 C 0.2140(6) 0.4789(4) -0.7988(5) 0.041(3) Uani 1 1 d . . . . .
H8A H 0.231529 0.509536 -0.830374 0.049 Uiso 1 1 calc R U . . .
C9 C 0.1807(8) 0.4230(5) -0.8181(5) 0.059(4) Uani 1 1 d . . . . .
H9A H 0.174016 0.414060 -0.863492 0.071 Uiso 1 1 calc R U . . .
C10 C 0.1566(6) 0.3788(4) -0.7720(5) 0.036(2) Uani 1 1 d . . . . .
H10A H 0.131976 0.339920 -0.786015 0.043 Uiso 1 1 calc R U . . .
C11 C 0.2739(7) 0.3092(5) -0.1490(6) 0.063(4) Uani 1 1 d . . . . .
H11A H 0.261561 0.347811 -0.175324 0.095 Uiso 1 1 calc R U . . .
H11B H 0.243793 0.309674 -0.108549 0.095 Uiso 1 1 calc R U . . .
H11C H 0.328043 0.309674 -0.137934 0.095 Uiso 1 1 calc R U . . .
C12 C -0.0047(9) 0.5142(6) -0.8335(7) 0.102(6) Uani 1 1 d . . . . .
H12A H 0.046549 0.499350 -0.844809 0.153 Uiso 1 1 calc R U . . .
H12B H -0.002431 0.542049 -0.794467 0.153 Uiso 1 1 calc R U . . .
H12C H -0.037089 0.476293 -0.824675 0.153 Uiso 1 1 calc R U . . .
C13 C -0.1121(8) 0.5744(5) -0.8734(7) 0.082(5) Uani 1 1 d . . . . .
H13A H -0.131084 0.599102 -0.911205 0.123 Uiso 1 1 calc R U . . .
H13B H -0.145608 0.537120 -0.864989 0.123 Uiso 1 1 calc R U . . .
H13C H -0.110950 0.602876 -0.834781 0.123 Uiso 1 1 calc R U . . .
C14 C 0.0109(7) 0.4863(5) -0.6532(5) 0.054(3) Uani 1 1 d . . . . .
H14A H 0.059088 0.502523 -0.635630 0.081 Uiso 1 1 calc R U . . .
H14B H 0.020679 0.459378 -0.692063 0.081 Uiso 1 1 calc R U . . .
H14C H -0.021430 0.523393 -0.665360 0.081 Uiso 1 1 calc R U . . .
C15 C -0.0998(7) 0.4211(5) -0.6262(6) 0.054(3) Uani 1 1 d . . . . .
H15A H -0.122822 0.395278 -0.590993 0.081 Uiso 1 1 calc R U . . .
H15B H -0.133715 0.457256 -0.637953 0.081 Uiso 1 1 calc R U . . .
H15C H -0.091606 0.393241 -0.664656 0.081 Uiso 1 1 calc R U . . .
H2 H -0.039(5) 0.526(3) -0.927(2) 0.03(2) Uiso 1 1 d D . . . .
H3 H -0.030(7) 0.478(4) -0.569(4) 0.09(4) Uiso 1 1 d D . . . .
H1 H 0.146(9) 0.307(6) -0.490(4) 0.15(6) Uiso 1 1 d D . . . .
H4 H 0.27(2) 0.250000 -0.233(4) 0.3(2) Uiso 1 2 d DS . 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
Sb1 O30 1.960(8) . ?
Sb1 O21 1.984(5) 7_565 ?
Sb1 O21 1.984(5) . ?
Sb2 O22 1.995(8) . ?
Sb2 O2 2.029(8) . ?
Sb2 O1 2.139(5) . ?
Sb2 O1 2.139(5) 7_565 ?
Sb3 O18 2.011(8) . ?
Sb3 O23 2.035(9) . ?
Sb3 O19 2.108(5) . ?
Sb3 O19 2.108(5) 7_565 ?
Sb3 Mo9 3.2490(11) . ?
Sb3 Mo9 3.2491(11) 7_565 ?
Mo1 O5 1.925(5) . ?
Mo1 O5 1.925(5) 7_565 ?
Mo1 O8 2.051(5) 7_565 ?
Mo1 O8 2.051(5) . ?
Mo1 O3 2.054(8) . ?
Mo1 N1 2.241(10) . ?
Mo1 Mo2 2.5250(11) 7_565 ?
Mo1 Mo2 2.5250(11) . ?
Mo2 O6 1.923(6) . ?
Mo2 O5 1.934(6) . ?
Mo2 O3 2.041(6) . ?
Mo2 O17 2.058(5) . ?
Mo2 O13 2.062(6) . ?
Mo2 N2 2.232(6) . ?
Mo2 Mo2 2.5298(12) 7_565 ?
Mo3 O27 1.683(6) . ?
Mo3 O8 1.799(6) . ?
Mo3 O14 1.829(5) . ?
Mo3 O1 2.037(6) . ?
Mo3 O22 2.108(3) . ?
Mo3 O25 2.316(5) . ?
Mo4 O29 1.699(6) . ?
Mo4 O11 1.804(6) . ?
Mo4 O31 1.826(5) . ?
Mo4 O2 2.093(2) . ?
Mo4 O1 2.103(6) . ?
Mo4 O25 2.248(6) . ?
Mo5 O12 1.698(5) . ?
Mo5 O4 1.824(5) . ?
Mo5 O17 1.835(6) . ?
Mo5 O31 2.062(6) . ?
Mo5 O14 2.104(6) . ?
Mo5 O25 2.203(5) . ?
Mo6 O24 1.672(6) . ?
Mo6 O15 1.919(6) . ?
Mo6 O10 1.950(6) . ?
Mo6 O7 1.959(4) . ?
Mo6 O11 2.028(6) . ?
Mo6 O30 2.284(6) . ?
Mo7 O20 1.681(5) . ?
Mo7 O15 1.893(6) . ?
Mo7 O4 1.945(6) . ?
Mo7 O9 1.989(6) . ?
Mo7 O16 2.057(6) . ?
Mo7 O21 2.286(5) . ?
Mo8 O28 1.700(6) . ?
Mo8 O13 1.801(6) . ?
Mo8 O16 1.816(5) . ?
Mo8 O18 2.100(3) . ?
Mo8 O19 2.133(6) . ?
Mo8 O21 2.277(6) . ?
Mo9 O32 1.681(6) . ?
Mo9 O26 1.833(6) . ?
Mo9 O9 1.851(6) . ?
Mo9 O19 2.023(7) . ?
Mo9 O23 2.039(3) . ?
Mo9 O21 2.365(5) . ?
Mo10 O33 1.678(9) . ?
Mo10 O10 1.901(6) . ?
Mo10 O10 1.901(6) 7_565 ?
Mo10 O26 1.953(6) . ?
Mo10 O26 1.953(6) 7_565 ?
Mo10 O30 2.359(8) . ?
N1 C1 1.321(17) . ?
N1 C5 1.355(17) . ?
N2 C10 1.327(11) . ?
N2 C6 1.351(10) . ?
N3 C11 1.465(13) . ?
N3 C11 1.465(13) 7_565 ?
N4 C12 1.435(15) . ?
N4 C13 1.457(14) . ?
N5 C14 1.446(13) . ?
N5 C15 1.460(13) . ?
C1 C2 1.389(19) . ?
C2 C3 1.34(2) . ?
C3 C4 1.39(2) . ?
C4 C5 1.399(19) . ?
C6 C7 1.363(12) . ?
C7 C8 1.348(14) . ?
C8 C9 1.345(13) . ?
C9 C10 1.372(13) . ?

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
O30 Sb1 O21 92.6(2) . 7_565 ?
O30 Sb1 O21 92.6(2) . . ?
O21 Sb1 O21 95.4(3) 7_565 . ?
O22 Sb2 O2 96.6(3) . . ?
O22 Sb2 O1 74.77(16) . . ?
O2 Sb2 O1 75.94(16) . . ?
O22 Sb2 O1 74.77(16) . 7_565 ?
O2 Sb2 O1 75.94(16) . 7_565 ?
O1 Sb2 O1 135.3(3) . 7_565 ?
O18 Sb3 O23 96.3(3) . . ?
O18 Sb3 O19 76.86(18) . . ?
O23 Sb3 O19 73.90(19) . . ?
O18 Sb3 O19 76.86(18) . 7_565 ?
O23 Sb3 O19 73.90(19) . 7_565 ?
O19 Sb3 O19 135.3(3) . 7_565 ?
O18 Sb3 Mo9 90.26(19) . . ?
O23 Sb3 Mo9 37.17(4) . . ?
O19 Sb3 Mo9 37.23(18) . . ?
O19 Sb3 Mo9 108.10(17) 7_565 . ?
O18 Sb3 Mo9 90.26(19) . 7_565 ?
O23 Sb3 Mo9 37.17(4) . 7_565 ?
O19 Sb3 Mo9 108.10(17) . 7_565 ?
O19 Sb3 Mo9 37.23(18) 7_565 7_565 ?
Mo9 Sb3 Mo9 73.49(3) . 7_565 ?
O5 Mo1 O5 95.4(3) . 7_565 ?
O5 Mo1 O8 167.7(2) . 7_565 ?
O5 Mo1 O8 90.7(2) 7_565 7_565 ?
O5 Mo1 O8 90.7(2) . . ?
O5 Mo1 O8 167.7(2) 7_565 . ?
O8 Mo1 O8 81.3(3) 7_565 . ?
O5 Mo1 O3 100.3(2) . . ?
O5 Mo1 O3 100.3(2) 7_565 . ?
O8 Mo1 O3 89.1(2) 7_565 . ?
O8 Mo1 O3 89.1(2) . . ?
O5 Mo1 N1 87.3(3) . . ?
O5 Mo1 N1 87.3(3) 7_565 . ?
O8 Mo1 N1 82.3(3) 7_565 . ?
O8 Mo1 N1 82.3(3) . . ?
O3 Mo1 N1 168.6(4) . . ?
O5 Mo1 Mo2 95.09(17) . 7_565 ?
O5 Mo1 Mo2 49.28(18) 7_565 7_565 ?
O8 Mo1 Mo2 97.02(16) 7_565 7_565 ?
O8 Mo1 Mo2 140.81(16) . 7_565 ?
O3 Mo1 Mo2 51.71(17) . 7_565 ?
N1 Mo1 Mo2 136.6(2) . 7_565 ?
O5 Mo1 Mo2 49.28(18) . . ?
O5 Mo1 Mo2 95.09(17) 7_565 . ?
O8 Mo1 Mo2 140.81(16) 7_565 . ?
O8 Mo1 Mo2 97.02(16) . . ?
O3 Mo1 Mo2 51.71(17) . . ?
N1 Mo1 Mo2 136.6(2) . . ?
Mo2 Mo1 Mo2 60.13(4) 7_565 . ?
O6 Mo2 O5 93.8(3) . . ?
O6 Mo2 O3 100.0(2) . . ?
O5 Mo2 O3 100.4(3) . . ?
O6 Mo2 O17 169.8(2) . . ?
O5 Mo2 O17 91.0(2) . . ?
O3 Mo2 O17 88.0(2) . . ?
O6 Mo2 O13 89.5(3) . . ?
O5 Mo2 O13 169.1(2) . . ?
O3 Mo2 O13 89.2(3) . . ?
O17 Mo2 O13 84.3(2) . . ?
O6 Mo2 N2 86.1(2) . . ?
O5 Mo2 N2 87.5(2) . . ?
O3 Mo2 N2 169.6(3) . . ?
O17 Mo2 N2 85.1(2) . . ?
O13 Mo2 N2 82.4(2) . . ?
O6 Mo2 Mo1 93.6(2) . . ?
O5 Mo2 Mo1 48.97(16) . . ?
O3 Mo2 Mo1 52.2(2) . . ?
O17 Mo2 Mo1 96.35(15) . . ?
O13 Mo2 Mo1 141.20(15) . . ?
N2 Mo2 Mo1 136.37(18) . . ?
O6 Mo2 Mo2 48.87(16) . 7_565 ?
O5 Mo2 Mo2 94.72(15) . 7_565 ?
O3 Mo2 Mo2 51.71(14) . 7_565 ?
O17 Mo2 Mo2 139.65(15) . 7_565 ?
O13 Mo2 Mo2 95.22(14) . 7_565 ?
N2 Mo2 Mo2 134.98(18) . 7_565 ?
Mo1 Mo2 Mo2 59.937(19) . 7_565 ?
O27 Mo3 O8 104.9(3) . . ?
O27 Mo3 O14 101.9(3) . . ?
O8 Mo3 O14 97.9(2) . . ?
O27 Mo3 O1 98.4(3) . . ?
O8 Mo3 O1 150.9(2) . . ?
O14 Mo3 O1 94.0(2) . . ?
O27 Mo3 O22 96.2(3) . . ?
O8 Mo3 O22 85.6(3) . . ?
O14 Mo3 O22 159.9(3) . . ?
O1 Mo3 O22 74.6(3) . . ?
O27 Mo3 O25 169.5(2) . . ?
O8 Mo3 O25 85.6(2) . . ?
O14 Mo3 O25 76.0(2) . . ?
O1 Mo3 O25 71.7(2) . . ?
O22 Mo3 O25 84.6(2) . . ?
O29 Mo4 O11 103.4(3) . . ?
O29 Mo4 O31 101.6(3) . . ?
O11 Mo4 O31 98.7(2) . . ?
O29 Mo4 O2 97.3(3) . . ?
O11 Mo4 O2 89.1(3) . . ?
O31 Mo4 O2 157.2(3) . . ?
O29 Mo4 O1 94.9(3) . . ?
O11 Mo4 O1 157.4(2) . . ?
O31 Mo4 O1 90.3(2) . . ?
O2 Mo4 O1 75.4(3) . . ?
O29 Mo4 O25 166.1(3) . . ?
O11 Mo4 O25 90.4(2) . . ?
O31 Mo4 O25 74.4(2) . . ?
O2 Mo4 O25 84.2(2) . . ?
O1 Mo4 O25 72.0(2) . . ?
O12 Mo5 O4 103.8(3) . . ?
O12 Mo5 O17 105.5(3) . . ?
O4 Mo5 O17 96.5(2) . . ?
O12 Mo5 O31 96.1(2) . . ?
O4 Mo5 O31 88.3(2) . . ?
O17 Mo5 O31 155.9(2) . . ?
O12 Mo5 O14 90.1(3) . . ?
O4 Mo5 O14 162.1(2) . . ?
O17 Mo5 O14 90.4(2) . . ?
O31 Mo5 O14 78.9(2) . . ?
O12 Mo5 O25 160.8(3) . . ?
O4 Mo5 O25 90.5(2) . . ?
O17 Mo5 O25 85.1(2) . . ?
O31 Mo5 O25 71.2(2) . . ?
O14 Mo5 O25 73.6(2) . . ?
O24 Mo6 O15 101.9(3) . . ?
O24 Mo6 O10 99.6(3) . . ?
O15 Mo6 O10 92.3(2) . . ?
O24 Mo6 O7 98.3(3) . . ?
O15 Mo6 O7 159.1(3) . . ?
O10 Mo6 O7 89.4(3) . . ?
O24 Mo6 O11 100.6(3) . . ?
O15 Mo6 O11 85.8(2) . . ?
O10 Mo6 O11 159.7(2) . . ?
O7 Mo6 O11 85.5(3) . . ?
O24 Mo6 O30 171.1(3) . . ?
O15 Mo6 O30 86.2(2) . . ?
O10 Mo6 O30 76.0(3) . . ?
O7 Mo6 O30 74.1(3) . . ?
O11 Mo6 O30 83.7(2) . . ?
O20 Mo7 O15 104.0(3) . . ?
O20 Mo7 O4 100.3(3) . . ?
O15 Mo7 O4 90.1(2) . . ?
O20 Mo7 O9 97.0(3) . . ?
O15 Mo7 O9 94.4(3) . . ?
O4 Mo7 O9 160.5(2) . . ?
O20 Mo7 O16 97.7(3) . . ?
O15 Mo7 O16 158.3(2) . . ?
O4 Mo7 O16 85.8(2) . . ?
O9 Mo7 O16 83.0(2) . . ?
O20 Mo7 O21 168.5(3) . . ?
O15 Mo7 O21 85.3(2) . . ?
O4 Mo7 O21 86.2(2) . . ?
O9 Mo7 O21 75.3(2) . . ?
O16 Mo7 O21 73.2(2) . . ?
O28 Mo8 O13 105.8(3) . . ?
O28 Mo8 O16 100.8(3) . . ?
O13 Mo8 O16 100.4(2) . . ?
O28 Mo8 O18 96.1(3) . . ?
O13 Mo8 O18 88.5(3) . . ?
O16 Mo8 O18 157.9(3) . . ?
O28 Mo8 O19 92.7(3) . . ?
O13 Mo8 O19 156.2(2) . . ?
O16 Mo8 O19 90.5(2) . . ?
O18 Mo8 O19 74.4(3) . . ?
O28 Mo8 O21 165.3(3) . . ?
O13 Mo8 O21 88.8(2) . . ?
O16 Mo8 O21 77.8(2) . . ?
O18 Mo8 O21 82.2(3) . . ?
O19 Mo8 O21 72.7(2) . . ?
O32 Mo9 O26 102.0(3) . . ?
O32 Mo9 O9 102.1(3) . . ?
O26 Mo9 O9 96.0(3) . . ?
O32 Mo9 O19 98.4(3) . . ?
O26 Mo9 O19 154.4(2) . . ?
O9 Mo9 O19 94.8(3) . . ?
O32 Mo9 O23 97.4(3) . . ?
O26 Mo9 O23 86.4(3) . . ?
O9 Mo9 O23 159.3(3) . . ?
O19 Mo9 O23 75.7(3) . . ?
O32 Mo9 O21 170.6(3) . . ?
O26 Mo9 O21 87.4(2) . . ?
O9 Mo9 O21 75.8(2) . . ?
O19 Mo9 O21 72.8(2) . . ?
O23 Mo9 O21 83.8(3) . . ?
O32 Mo9 Sb3 95.2(2) . . ?
O26 Mo9 Sb3 122.79(17) . . ?
O9 Mo9 Sb3 132.9(2) . . ?
O19 Mo9 Sb3 39.09(15) . . ?
O23 Mo9 Sb3 37.1(2) . . ?
O21 Mo9 Sb3 80.06(14) . . ?
O33 Mo10 O10 99.3(3) . . ?
O33 Mo10 O10 99.3(3) . 7_565 ?
O10 Mo10 O10 93.2(3) . 7_565 ?
O33 Mo10 O26 101.1(3) . . ?
O10 Mo10 O26 88.0(2) . . ?
O10 Mo10 O26 159.2(3) 7_565 . ?
O33 Mo10 O26 101.1(3) . 7_565 ?
O10 Mo10 O26 159.2(3) . 7_565 ?
O10 Mo10 O26 88.0(2) 7_565 7_565 ?
O26 Mo10 O26 83.8(3) . 7_565 ?
O33 Mo10 O30 171.6(4) . . ?
O10 Mo10 O30 75.1(2) . . ?
O10 Mo10 O30 75.1(2) 7_565 . ?
O26 Mo10 O30 85.2(2) . . ?
O26 Mo10 O30 85.2(2) 7_565 . ?
Mo3 O1 Mo4 114.6(3) . . ?
Mo3 O1 Sb2 103.4(2) . . ?
Mo4 O1 Sb2 101.5(2) . . ?
Sb2 O2 Mo4 105.6(2) . 7_565 ?
Sb2 O2 Mo4 105.6(2) . . ?
Mo4 O2 Mo4 145.4(4) 7_565 . ?
Mo2 O3 Mo2 76.6(3) 7_565 . ?
Mo2 O3 Mo1 76.1(2) 7_565 . ?
Mo2 O3 Mo1 76.1(2) . . ?
Mo5 O4 Mo7 151.0(3) . . ?
Mo1 O5 Mo2 81.7(2) . . ?
Mo2 O6 Mo2 82.3(3) . 7_565 ?
Mo6 O7 Mo6 117.5(4) . 7_565 ?
Mo3 O8 Mo1 151.5(3) . . ?
Mo9 O9 Mo7 118.2(3) . . ?
Mo10 O10 Mo6 118.1(3) . . ?
Mo4 O11 Mo6 143.6(3) . . ?
Mo8 O13 Mo2 154.3(3) . . ?
Mo3 O14 Mo5 114.8(2) . . ?
Mo7 O15 Mo6 159.7(3) . . ?
Mo8 O16 Mo7 115.9(3) . . ?
Mo5 O17 Mo2 148.0(3) . . ?
Sb3 O18 Mo8 105.7(2) . 7_565 ?
Sb3 O18 Mo8 105.7(2) . . ?
Mo8 O18 Mo8 145.2(4) 7_565 . ?
Mo9 O19 Sb3 103.7(2) . . ?
Mo9 O19 Mo8 114.2(3) . . ?
Sb3 O19 Mo8 101.2(2) . . ?
Sb1 O21 Mo8 115.0(3) . . ?
Sb1 O21 Mo7 117.8(3) . . ?
Mo8 O21 Mo7 92.08(19) . . ?
Sb1 O21 Mo9 134.5(3) . . ?
Mo8 O21 Mo9 97.5(2) . . ?
Mo7 O21 Mo9 90.24(18) . . ?
Sb2 O22 Mo3 106.1(2) . . ?
Sb2 O22 Mo3 106.1(2) . 7_565 ?
Mo3 O22 Mo3 143.8(4) . 7_565 ?
Sb3 O23 Mo9 105.8(3) . . ?
Sb3 O23 Mo9 105.8(3) . 7_565 ?
Mo9 O23 Mo9 144.8(5) . 7_565 ?
Mo5 O25 Mo4 96.0(2) . . ?
Mo5 O25 Mo3 94.4(2) . . ?
Mo4 O25 Mo3 99.5(2) . . ?
Mo9 O26 Mo10 156.1(3) . . ?
Sb1 O30 Mo6 117.3(3) . . ?
Sb1 O30 Mo6 117.3(3) . 7_565 ?
Mo6 O30 Mo6 94.3(3) . 7_565 ?
Sb1 O30 Mo10 136.7(4) . . ?
Mo6 O30 Mo10 90.7(2) . . ?
Mo6 O30 Mo10 90.7(2) 7_565 . ?
Mo4 O31 Mo5 116.4(3) . . ?
C1 N1 C5 119.6(12) . . ?
C1 N1 Mo1 121.7(10) . . ?
C5 N1 Mo1 118.7(9) . . ?
C10 N2 C6 117.9(7) . . ?
C10 N2 Mo2 122.0(5) . . ?
C6 N2 Mo2 119.8(6) . . ?
C11 N3 C11 111.5(15) . 7_565 ?
C12 N4 C13 112.1(12) . . ?
C14 N5 C15 113.1(9) . . ?
N1 C1 C2 121.2(15) . . ?
C3 C2 C1 119.9(15) . . ?
C2 C3 C4 120.8(15) . . ?
C3 C4 C5 116.9(16) . . ?
N1 C5 C4 121.7(15) . . ?
N2 C6 C7 121.6(9) . . ?
C8 C7 C6 119.6(9) . . ?
C9 C8 C7 119.5(9) . . ?
C8 C9 C10 119.6(10) . . ?
N2 C10 C9 121.8(8) . . ?

_refine_diff_density_max         1.913
_refine_diff_density_min         -2.425
_refine_diff_density_rms         0.246

