# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 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_2
_database_code_depnum_ccdc_archive 'CCDC 2043940'
loop_
_audit_author_name
_audit_author_address
'Yingyu Li'
;Bohai university
China
;
_audit_update_record             
;
2020-11-12 deposited with the CCDC.	2021-03-29 downloaded from the CCDC.
;
_audit_creation_date             2020-11-11
_audit_creation_method           
;
Olex2 1.3-alpha
(compiled 2019.10.31 svn.r3677 for OlexSys, GUI svn.r5972)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        'Compound 1'
_chemical_formula_moiety         'C24 H40 Cd3 Mo12 N12 O56 P2, H4 O2'
_chemical_formula_sum            'C24 H44 Cd3 Mo12 N12 O58 P2'
_chemical_formula_weight         2979.13
_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'
Cd Cd -0.8075 1.2024 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.2923(18)
_cell_length_b                   10.3806(18)
_cell_length_c                   17.587(3)
_cell_angle_alpha                81.484(3)
_cell_angle_beta                 75.196(3)
_cell_angle_gamma                77.313(3)
_cell_volume                     1763.8(5)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    4216
_cell_measurement_temperature    273.15
_cell_measurement_theta_max      28.24
_cell_measurement_theta_min      2.25
_shelx_estimated_absorpt_T_max   0.6079
_shelx_estimated_absorpt_T_min   0.5568
_exptl_absorpt_coefficient_mu    3.106
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6039
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0583 before and 0.0354 after correction.
The Ratio of minimum to maximum transmission is 0.8098.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.805
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1414
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0269
_diffrn_reflns_av_unetI/netI     0.0599
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            12717
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.320
_diffrn_reflns_theta_min         1.203
_diffrn_ambient_temperature      273.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.989
_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_source_current           30.0
_diffrn_source_power             1.2
_diffrn_source_voltage           40.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6398
_reflns_number_total             8690
_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 V8.18C (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.18C (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         4.054
_refine_diff_density_min         -1.886
_refine_diff_density_rms         0.330
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     512
_refine_ls_number_reflns         8690
_refine_ls_number_restraints     13
_refine_ls_R_factor_all          0.0793
_refine_ls_R_factor_gt           0.0543
_refine_ls_restrained_S_all      1.040
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0959P)²+4.3879P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1430
_refine_ls_wR_factor_ref         0.1642
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, {H1WA,H1WB} of O1W, All C(H,H) groups
 At 1.5 times of:
  {H3A,H3B} of O3, {H19A,H19B} of O19, {H1A,H1B} of O1, {H2A,H2B} of O2
2. Restrained distances
 Cd2-H1A \\sim Cd2-H1B
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
O1W: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
Uanis(O1W) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(P1) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
4. Rigid body (RIGU) restrains
 O1W
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
5.a Riding coordinates:
 O1W(H1WA,H1WB)
5.b Free rotating group:
 O1(H1A,H1B), O3(H3A,H3B), O2(H2A,H2B)
5.c Rotating group:
 O19(H19A,H19B)
5.d Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B), C3(H3C,H3D)
5.e Aromatic/amide H refined with riding coordinates:
 C8(H8), C11(H11), C2(H2), C7(H7), C12(H12), C5(H5), C1(H1), C6(H6)
;
_atom_sites_solution_hydrogens   mixed
_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
Cd1 Cd 0.500000 0.500000 0.500000 0.0237(2) Uani 1 2 d S . P . .
Cd2 Cd 0.66964(6) 0.27189(6) 0.35309(4) 0.02309(15) Uani 1 1 d D . . . .
Mo5 Mo 0.53810(7) 0.36742(7) 0.16971(4) 0.02074(16) Uani 1 1 d . . . . .
Mo4 Mo 0.21031(7) 0.39646(7) 0.31151(4) 0.01982(16) Uani 1 1 d . . . . .
Mo6 Mo 0.64404(7) 0.66564(7) 0.11972(4) 0.02147(17) Uani 1 1 d . . . . .
Mo1 Mo 0.09891(7) 0.71747(7) 0.35727(4) 0.02197(17) Uani 1 1 d . . . . .
Mo2 Mo 0.34889(7) 0.84282(7) 0.42790(4) 0.01689(15) Uani 1 1 d . . . . .
Mo3 Mo 0.65709(8) 0.81024(8) 0.29441(4) 0.02392(17) Uani 1 1 d . . . . .
O18 O 0.5269(6) 0.4678(5) 0.3718(3) 0.0196(11) Uani 1 1 d . . . . .
O24 O 0.6223(7) 0.4947(6) 0.0964(4) 0.0308(14) Uani 1 1 d . . . . .
O12 O 0.1940(7) 0.8100(7) 0.4051(4) 0.0318(15) Uani 1 1 d . . . . .
O27 O 0.1128(6) 0.3052(6) 0.2852(4) 0.0309(14) Uani 1 1 d . . . . .
O6 O 0.7522(7) 0.9282(7) 0.2795(4) 0.0333(15) Uani 1 1 d . . . . .
O17 O 0.8301(7) 0.5129(8) 0.1637(4) 0.0416(17) Uani 1 1 d . . . . .
O1 O 0.8535(7) 0.1076(7) 0.3444(5) 0.0382(16) Uani 1 1 d G . . . .
H1A H 0.921567 0.103134 0.364242 0.057 Uiso 1 1 d DG U . . .
H1B H 0.856229 0.027995 0.336579 0.057 Uiso 1 1 d DG U . . .
O15 O 0.4999(7) 0.7659(7) 0.1005(4) 0.0345(15) Uani 1 1 d . . . . .
O25 O 0.5483(7) 0.2601(6) 0.1033(4) 0.0316(14) Uani 1 1 d . . . . .
O19 O 0.3028(7) 0.4189(7) 0.5173(4) 0.0345(15) Uani 1 1 d . . . . .
H19A H 0.293450 0.356643 0.558259 0.052 Uiso 1 1 d R U . . .
H19B H 0.305226 0.374467 0.476900 0.052 Uiso 1 1 d R U . . .
O11 O 0.4680(6) 0.7109(6) 0.3329(4) 0.0299(14) Uani 1 1 d . . . . .
O28 O 0.0821(6) 0.6047(7) 0.4872(3) 0.0313(14) Uani 1 1 d . . . . .
O26 O 0.3906(6) 0.3347(7) 0.2529(4) 0.0341(15) Uani 1 1 d . . . . .
O13 O -0.0642(7) 0.7904(7) 0.3946(4) 0.0363(16) Uani 1 1 d . . . . .
O23 O 0.5267(6) 0.5528(7) 0.2312(3) 0.0311(14) Uani 1 1 d . . . . .
O10 O 0.6785(7) 0.7623(7) 0.1936(4) 0.0372(16) Uani 1 1 d . . . . .
O4 O 0.6669(6) 0.2933(6) 0.2197(3) 0.0281(13) Uani 1 1 d . . . . .
O21 O 0.3038(6) 0.5678(6) 0.3334(4) 0.0296(14) Uani 1 1 d . . . . .
O8 O 0.5331(6) 0.8764(7) 0.3920(4) 0.0314(14) Uani 1 1 d . . . . .
O20 O 0.0684(7) 0.5459(6) 0.3386(4) 0.0318(14) Uani 1 1 d . . . . .
O7 O 0.2838(7) 0.9809(7) 0.4750(4) 0.0358(15) Uani 1 1 d . . . . .
O5 O 0.7543(7) 0.6683(7) 0.3313(4) 0.0383(16) Uani 1 1 d . . . . .
O9 O 0.3703(6) 0.7143(6) 0.5049(3) 0.0253(13) Uani 1 1 d . . . . .
N7 N 0.1957(8) 0.6522(8) 0.0844(4) 0.0267(16) Uani 1 1 d . . . . .
O14 O 0.1342(8) 0.7924(7) 0.2645(4) 0.0380(16) Uani 1 1 d . . . . .
N4 N 0.4779(8) 0.9554(8) 0.2520(4) 0.0292(16) Uani 1 1 d . . . . .
N6 N 0.3476(8) 0.5044(7) 0.1332(4) 0.0248(15) Uani 1 1 d . . . . .
N3 N 0.3516(7) 0.9676(7) 0.3046(4) 0.0240(15) Uani 1 1 d . . . . .
N2 N 0.3267(9) 1.0635(7) 0.1887(4) 0.0304(17) Uani 1 1 d . . . . .
N5 N 0.2231(7) 0.5153(7) 0.1875(4) 0.0240(15) Uani 1 1 d . . . . .
O16 O 0.7672(8) 0.6961(7) 0.0379(4) 0.0410(17) Uani 1 1 d . . . . .
O3 O 0.5118(8) 0.1477(8) 0.3915(5) 0.0448(19) Uani 1 1 d G . . . .
H3A H 0.544686 0.065309 0.390276 0.067 Uiso 1 1 d G U . . .
H3B H 0.427413 0.154373 0.393145 0.067 Uiso 1 1 d G U . . .
O22 O 0.2355(7) 0.3165(7) 0.4018(3) 0.0355(16) Uani 1 1 d . . . . .
C8 C 0.1913(10) 0.9544(9) 0.0772(5) 0.031(2) Uani 1 1 d . . . . .
H8 H 0.283414 0.920743 0.057323 0.037 Uiso 1 1 calc R U . . .
C11 C 0.1357(9) 0.6048(9) 0.1572(5) 0.0282(19) Uani 1 1 d . . . . .
H11 H 0.044490 0.632152 0.182259 0.034 Uiso 1 1 calc R U . . .
C9 C 0.0930(10) 0.8883(9) 0.0703(5) 0.0290(19) Uani 1 1 d . . . . .
C2 C 0.2611(10) 1.0331(9) 0.2644(5) 0.0283(19) Uani 1 1 d . . . . .
H2 H 0.167250 1.054956 0.284845 0.034 Uiso 1 1 calc R U . . .
C7 C -0.0456(11) 0.9420(10) 0.1000(6) 0.037(2) Uani 1 1 d . . . . .
H7 H -0.112896 0.897908 0.096367 0.045 Uiso 1 1 calc R U . . .
C12 C 0.3288(10) 0.5902(9) 0.0715(5) 0.0281(19) Uani 1 1 d . . . . .
H12 H 0.396163 0.605546 0.026435 0.034 Uiso 1 1 calc R U . . .
C10 C 0.1346(11) 0.7613(9) 0.0326(5) 0.032(2) Uani 1 1 d . . . . .
H10A H 0.055117 0.738781 0.021556 0.038 Uiso 1 1 calc R U . . .
H10B H 0.200469 0.772561 -0.017144 0.038 Uiso 1 1 calc R U . . .
C4 C 0.1526(12) 1.0726(10) 0.1141(5) 0.036(2) Uani 1 1 d . . . . .
C3 C 0.2597(12) 1.1382(9) 0.1256(6) 0.037(2) Uani 1 1 d . . . . .
H3C H 0.218611 1.227504 0.139572 0.044 Uiso 1 1 calc R U . . .
H3D H 0.328176 1.144576 0.076436 0.044 Uiso 1 1 calc R U . . .
C5 C 0.0170(11) 1.1240(10) 0.1416(5) 0.038(2) Uani 1 1 d . . . . .
H5 H -0.007465 1.203024 0.165163 0.046 Uiso 1 1 calc R U . . .
C1 C 0.4597(10) 1.0126(9) 0.1841(5) 0.031(2) Uani 1 1 d . . . . .
H1 H 0.528954 1.017702 0.138591 0.037 Uiso 1 1 calc R U . . .
C6 C -0.0832(11) 1.0621(11) 0.1351(6) 0.042(3) Uani 1 1 d . . . . .
H6 H -0.174994 1.098754 0.153691 0.050 Uiso 1 1 calc R U . . .
P1 P 0.45620(19) 0.57251(19) 0.31646(11) 0.0144(4) Uani 1 1 d . U . . .
O2 O 0.8337(7) 0.3974(8) 0.3249(6) 0.049(2) Uani 1 1 d G . . . .
H2A H 0.813337 0.475412 0.339130 0.073 Uiso 1 1 d G U . . .
H2B H 0.915582 0.390644 0.297602 0.073 Uiso 1 1 d G U . . .
O1W O 1.0119(8) 0.1252(10) 0.4441(5) 0.057(2) Uani 1 1 d . U . . .
H1WA H 1.097043 0.095504 0.428540 0.068 Uiso 1 1 d R U . . .
H1WB H 1.006483 0.173324 0.480390 0.068 Uiso 1 1 d R U . . .


_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
Cd1 O18 2.265(5) 2_666 ?
Cd1 O18 2.265(5) . ?
Cd1 O19 2.298(6) . ?
Cd1 O19 2.298(6) 2_666 ?
Cd1 O9 2.331(6) . ?
Cd1 O9 2.331(6) 2_666 ?
Cd2 O18 2.245(5) . ?
Cd2 O1 2.241(7) . ?
Cd2 O4 2.330(6) . ?
Cd2 O9 2.445(6) 2_666 ?
Cd2 O3 2.205(7) . ?
Cd2 O2 2.268(7) . ?
Mo5 O24 1.894(6) . ?
Mo5 O25 1.699(6) . ?
Mo5 O26 1.872(6) . ?
Mo5 O23 2.310(7) . ?
Mo5 O4 1.752(6) . ?
Mo5 N6 2.330(7) . ?
Mo4 O27 1.704(6) . ?
Mo4 O26 1.900(6) . ?
Mo4 O21 2.320(6) . ?
Mo4 O20 1.907(7) . ?
Mo4 N5 2.329(7) . ?
Mo4 O22 1.732(6) . ?
Mo6 O24 1.950(6) . ?
Mo6 O17 2.417(7) . ?
Mo6 O15 1.694(7) . ?
Mo6 O23 2.325(6) . ?
Mo6 O10 1.898(7) . ?
Mo6 O16 1.700(6) . ?
Mo1 O12 1.913(6) . ?
Mo1 O28 2.390(6) . ?
Mo1 O13 1.688(7) . ?
Mo1 O21 2.311(6) . ?
Mo1 O20 1.962(7) . ?
Mo1 O14 1.687(6) . ?
Mo2 O12 1.851(6) . ?
Mo2 O11 2.250(6) . ?
Mo2 O8 1.931(6) . ?
Mo2 O7 1.685(7) . ?
Mo2 O9 1.775(6) . ?
Mo2 N3 2.352(7) . ?
Mo3 O6 1.681(6) . ?
Mo3 O11 2.305(6) . ?
Mo3 O10 1.857(7) . ?
Mo3 O8 1.972(6) . ?
Mo3 O5 1.730(7) . ?
Mo3 N4 2.319(8) . ?
O18 P1 1.537(6) . ?
O1 H1A 0.8489 . ?
O1 H1B 0.8508 . ?
O19 H19A 0.8942 . ?
O19 H19B 0.8945 . ?
O11 P1 1.542(6) . ?
O23 P1 1.512(6) . ?
O21 P1 1.530(6) . ?
N7 C11 1.343(11) . ?
N7 C12 1.356(12) . ?
N7 C10 1.477(11) . ?
N4 N3 1.382(10) . ?
N4 C1 1.292(11) . ?
N6 N5 1.381(9) . ?
N6 C12 1.325(11) . ?
N3 C2 1.321(11) . ?
N2 C2 1.355(11) . ?
N2 C3 1.487(11) . ?
N2 C1 1.341(13) . ?
N5 C11 1.300(11) . ?
O3 H3A 0.8488 . ?
O3 H3B 0.8489 . ?
C8 H8 0.9300 . ?
C8 C9 1.379(13) . ?
C8 C4 1.405(13) . ?
C11 H11 0.9300 . ?
C9 C7 1.405(13) . ?
C9 C10 1.491(13) . ?
C2 H2 0.9300 . ?
C7 H7 0.9300 . ?
C7 C6 1.407(15) . ?
C12 H12 0.9300 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C4 C3 1.484(14) . ?
C4 C5 1.368(15) . ?
C3 H3C 0.9700 . ?
C3 H3D 0.9700 . ?
C5 H5 0.9300 . ?
C5 C6 1.364(16) . ?
C1 H1 0.9300 . ?
C6 H6 0.9300 . ?
O2 H2A 0.8490 . ?
O2 H2B 0.8500 . ?
O1W H1WA 0.8497 . ?
O1W H1WB 0.8500 . ?

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
O18 Cd1 O18 180.0 2_666 . ?
O18 Cd1 O19 83.5(2) . . ?
O18 Cd1 O19 96.5(2) . 2_666 ?
O18 Cd1 O19 96.5(2) 2_666 . ?
O18 Cd1 O19 83.5(2) 2_666 2_666 ?
O18 Cd1 O9 78.55(19) 2_666 . ?
O18 Cd1 O9 78.55(19) . 2_666 ?
O18 Cd1 O9 101.45(19) 2_666 2_666 ?
O18 Cd1 O9 101.45(19) . . ?
O19 Cd1 O19 180.0 . 2_666 ?
O19 Cd1 O9 90.6(2) . 2_666 ?
O19 Cd1 O9 90.6(2) 2_666 . ?
O19 Cd1 O9 89.4(2) 2_666 2_666 ?
O19 Cd1 O9 89.4(2) . . ?
O9 Cd1 O9 180.0 . 2_666 ?
O18 Cd2 O4 92.0(2) . . ?
O18 Cd2 O9 76.56(19) . 2_666 ?
O18 Cd2 O2 83.4(2) . . ?
O1 Cd2 O18 163.1(2) . . ?
O1 Cd2 O4 95.7(2) . . ?
O1 Cd2 O9 96.3(2) . 2_666 ?
O1 Cd2 O2 81.5(3) . . ?
O4 Cd2 O9 168.0(2) . 2_666 ?
O3 Cd2 O18 96.6(3) . . ?
O3 Cd2 O1 97.6(3) . . ?
O3 Cd2 O4 95.1(3) . . ?
O3 Cd2 O9 82.9(3) . 2_666 ?
O3 Cd2 O2 174.9(3) . . ?
O2 Cd2 O4 90.0(3) . . ?
O2 Cd2 O9 92.2(3) . 2_666 ?
O24 Mo5 O23 69.9(2) . . ?
O24 Mo5 N6 79.4(3) . . ?
O25 Mo5 O24 96.5(3) . . ?
O25 Mo5 O26 104.9(3) . . ?
O25 Mo5 O23 165.1(3) . . ?
O25 Mo5 O4 104.7(3) . . ?
O25 Mo5 N6 91.4(3) . . ?
O26 Mo5 O24 147.2(3) . . ?
O26 Mo5 O23 85.0(3) . . ?
O26 Mo5 N6 75.6(3) . . ?
O23 Mo5 N6 80.1(2) . . ?
O4 Mo5 O24 101.9(3) . . ?
O4 Mo5 O26 96.4(3) . . ?
O4 Mo5 O23 84.9(3) . . ?
O4 Mo5 N6 163.5(3) . . ?
O27 Mo4 O26 104.1(3) . . ?
O27 Mo4 O21 164.5(3) . . ?
O27 Mo4 O20 96.8(3) . . ?
O27 Mo4 N5 87.5(3) . . ?
O27 Mo4 O22 103.4(3) . . ?
O26 Mo4 O21 84.0(3) . . ?
O26 Mo4 O20 146.7(3) . . ?
O26 Mo4 N5 75.1(3) . . ?
O21 Mo4 N5 81.8(2) . . ?
O20 Mo4 O21 70.4(3) . . ?
O20 Mo4 N5 80.3(3) . . ?
O22 Mo4 O26 95.9(3) . . ?
O22 Mo4 O21 88.6(3) . . ?
O22 Mo4 O20 104.2(3) . . ?
O22 Mo4 N5 167.4(3) . . ?
O24 Mo6 O17 77.1(3) . . ?
O24 Mo6 O23 68.8(3) . . ?
O15 Mo6 O24 101.3(3) . . ?
O15 Mo6 O17 172.3(3) . . ?
O15 Mo6 O23 93.8(3) . . ?
O15 Mo6 O10 99.7(3) . . ?
O15 Mo6 O16 103.6(4) . . ?
O23 Mo6 O17 78.5(2) . . ?
O10 Mo6 O24 146.8(3) . . ?
O10 Mo6 O17 78.6(3) . . ?
O10 Mo6 O23 84.4(3) . . ?
O16 Mo6 O24 97.9(3) . . ?
O16 Mo6 O17 84.1(3) . . ?
O16 Mo6 O23 160.0(3) . . ?
O16 Mo6 O10 101.9(3) . . ?
O12 Mo1 O28 76.7(2) . . ?
O12 Mo1 O21 84.5(3) . . ?
O12 Mo1 O20 147.4(3) . . ?
O13 Mo1 O12 100.0(3) . . ?
O13 Mo1 O28 83.7(3) . . ?
O13 Mo1 O21 163.2(3) . . ?
O13 Mo1 O20 99.6(3) . . ?
O21 Mo1 O28 81.6(2) . . ?
O20 Mo1 O28 79.9(2) . . ?
O20 Mo1 O21 69.8(2) . . ?
O14 Mo1 O12 98.8(3) . . ?
O14 Mo1 O28 172.1(3) . . ?
O14 Mo1 O13 103.5(4) . . ?
O14 Mo1 O21 91.6(3) . . ?
O14 Mo1 O20 101.6(3) . . ?
O12 Mo2 O11 86.0(3) . . ?
O12 Mo2 O8 149.5(3) . . ?
O12 Mo2 N3 78.9(3) . . ?
O11 Mo2 N3 71.8(2) . . ?
O8 Mo2 O11 70.4(2) . . ?
O8 Mo2 N3 75.6(2) . . ?
O7 Mo2 O12 101.1(3) . . ?
O7 Mo2 O11 159.9(3) . . ?
O7 Mo2 O8 95.8(3) . . ?
O7 Mo2 O9 104.2(3) . . ?
O7 Mo2 N3 90.9(3) . . ?
O9 Mo2 O12 99.7(3) . . ?
O9 Mo2 O11 92.9(3) . . ?
O9 Mo2 O8 100.5(3) . . ?
O9 Mo2 N3 164.8(3) . . ?
O6 Mo3 O11 159.4(3) . . ?
O6 Mo3 O10 103.7(3) . . ?
O6 Mo3 O8 94.4(3) . . ?
O6 Mo3 O5 105.4(3) . . ?
O6 Mo3 N4 92.9(3) . . ?
O11 Mo3 N4 72.3(2) . . ?
O10 Mo3 O11 87.5(3) . . ?
O10 Mo3 O8 148.5(3) . . ?
O10 Mo3 N4 78.0(3) . . ?
O8 Mo3 O11 68.5(2) . . ?
O8 Mo3 N4 75.4(3) . . ?
O5 Mo3 O11 89.7(3) . . ?
O5 Mo3 O10 98.2(3) . . ?
O5 Mo3 O8 101.7(3) . . ?
O5 Mo3 N4 161.7(3) . . ?
Cd2 O18 Cd1 106.3(2) . . ?
P1 O18 Cd1 120.9(3) . . ?
P1 O18 Cd2 132.9(3) . . ?
Mo5 O24 Mo6 126.0(4) . . ?
Mo2 O12 Mo1 153.8(4) . . ?
Cd2 O1 H1A 126.2 . . ?
Cd2 O1 H1B 125.8 . . ?
H1A O1 H1B 104.5 . . ?
Cd1 O19 H19A 111.8 . . ?
Cd1 O19 H19B 111.7 . . ?
H19A O19 H19B 102.2 . . ?
Mo2 O11 Mo3 97.0(2) . . ?
P1 O11 Mo2 132.1(4) . . ?
P1 O11 Mo3 127.9(4) . . ?
Mo5 O26 Mo4 148.3(4) . . ?
Mo5 O23 Mo6 95.3(2) . . ?
P1 O23 Mo5 125.0(4) . . ?
P1 O23 Mo6 139.7(4) . . ?
Mo3 O10 Mo6 153.7(4) . . ?
Mo5 O4 Cd2 131.5(3) . . ?
Mo1 O21 Mo4 95.3(2) . . ?
P1 O21 Mo4 126.5(4) . . ?
P1 O21 Mo1 136.9(4) . . ?
Mo2 O8 Mo3 121.9(3) . . ?
Mo4 O20 Mo1 124.4(4) . . ?
Cd1 O9 Cd2 98.1(2) . 2_666 ?
Mo2 O9 Cd1 130.2(3) . . ?
Mo2 O9 Cd2 129.5(3) . 2_666 ?
C11 N7 C12 106.0(7) . . ?
C11 N7 C10 127.3(8) . . ?
C12 N7 C10 126.3(8) . . ?
N3 N4 Mo3 116.3(5) . . ?
C1 N4 Mo3 134.3(7) . . ?
C1 N4 N3 107.9(8) . . ?
N5 N6 Mo5 118.4(5) . . ?
C12 N6 Mo5 134.5(6) . . ?
C12 N6 N5 106.7(7) . . ?
N4 N3 Mo2 115.2(5) . . ?
C2 N3 Mo2 137.3(6) . . ?
C2 N3 N4 106.4(7) . . ?
C2 N2 C3 125.3(9) . . ?
C1 N2 C2 106.0(7) . . ?
C1 N2 C3 128.7(8) . . ?
N6 N5 Mo4 119.2(5) . . ?
C11 N5 Mo4 132.9(6) . . ?
C11 N5 N6 107.6(7) . . ?
Cd2 O3 H3A 113.1 . . ?
Cd2 O3 H3B 138.5 . . ?
H3A O3 H3B 104.7 . . ?
C9 C8 H8 119.9 . . ?
C9 C8 C4 120.2(9) . . ?
C4 C8 H8 119.9 . . ?
N7 C11 H11 124.8 . . ?
N5 C11 N7 110.4(8) . . ?
N5 C11 H11 124.8 . . ?
C8 C9 C7 118.8(9) . . ?
C8 C9 C10 120.0(9) . . ?
C7 C9 C10 121.2(9) . . ?
N3 C2 N2 109.3(8) . . ?
N3 C2 H2 125.3 . . ?
N2 C2 H2 125.3 . . ?
C9 C7 H7 119.7 . . ?
C9 C7 C6 120.5(10) . . ?
C6 C7 H7 119.7 . . ?
N7 C12 H12 125.4 . . ?
N6 C12 N7 109.2(7) . . ?
N6 C12 H12 125.4 . . ?
N7 C10 C9 111.2(7) . . ?
N7 C10 H10A 109.4 . . ?
N7 C10 H10B 109.4 . . ?
C9 C10 H10A 109.4 . . ?
C9 C10 H10B 109.4 . . ?
H10A C10 H10B 108.0 . . ?
C8 C4 C3 119.6(10) . . ?
C5 C4 C8 119.9(10) . . ?
C5 C4 C3 120.4(10) . . ?
N2 C3 H3C 109.3 . . ?
N2 C3 H3D 109.3 . . ?
C4 C3 N2 111.5(7) . . ?
C4 C3 H3C 109.3 . . ?
C4 C3 H3D 109.3 . . ?
H3C C3 H3D 108.0 . . ?
C4 C5 H5 119.2 . . ?
C6 C5 C4 121.5(10) . . ?
C6 C5 H5 119.2 . . ?
N4 C1 N2 110.3(8) . . ?
N4 C1 H1 124.9 . . ?
N2 C1 H1 124.9 . . ?
C7 C6 H6 120.5 . . ?
C5 C6 C7 119.0(10) . . ?
C5 C6 H6 120.5 . . ?
O18 P1 O11 108.4(3) . . ?
O23 P1 O18 110.2(3) . . ?
O23 P1 O11 108.5(4) . . ?
O23 P1 O21 111.6(4) . . ?
O21 P1 O18 110.4(3) . . ?
O21 P1 O11 107.6(4) . . ?
Cd2 O2 H2A 119.2 . . ?
Cd2 O2 H2B 135.8 . . ?
H2A O2 H2B 104.6 . . ?
H1WA O1W H1WB 104.5 . . ?

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
Cd1 O18 P1 O11 41.6(4) . . . . ?
Cd1 O18 P1 O23 160.1(3) . . . . ?
Cd1 O18 P1 O21 -76.1(4) . . . . ?
Cd2 O18 P1 O11 -136.4(4) . . . . ?
Cd2 O18 P1 O23 -17.9(6) . . . . ?
Cd2 O18 P1 O21 105.9(5) . . . . ?
Mo5 O23 P1 O18 63.5(5) . . . . ?
Mo5 O23 P1 O11 -178.0(4) . . . . ?
Mo5 O23 P1 O21 -59.6(5) . . . . ?
Mo5 N6 N5 Mo4 -0.3(8) . . . . ?
Mo5 N6 N5 C11 174.4(6) . . . . ?
Mo5 N6 C12 N7 -174.4(6) . . . . ?
Mo4 O21 P1 O18 -67.2(5) . . . . ?
Mo4 O21 P1 O11 174.7(4) . . . . ?
Mo4 O21 P1 O23 55.7(5) . . . . ?
Mo4 N5 C11 N7 174.8(6) . . . . ?
Mo6 O23 P1 O18 -118.8(6) . . . . ?
Mo6 O23 P1 O11 -0.4(7) . . . . ?
Mo6 O23 P1 O21 118.1(6) . . . . ?
Mo1 O21 P1 O18 129.5(5) . . . . ?
Mo1 O21 P1 O11 11.4(6) . . . . ?
Mo1 O21 P1 O23 -107.5(5) . . . . ?
Mo2 O11 P1 O18 -80.0(5) . . . . ?
Mo2 O11 P1 O23 160.4(4) . . . . ?
Mo2 O11 P1 O21 39.4(6) . . . . ?
Mo2 N3 C2 N2 -167.7(6) . . . . ?
Mo3 O11 P1 O18 76.1(5) . . . . ?
Mo3 O11 P1 O23 -43.5(5) . . . . ?
Mo3 O11 P1 O21 -164.4(4) . . . . ?
Mo3 N4 N3 Mo2 2.0(7) . . . . ?
Mo3 N4 N3 C2 -168.3(6) . . . . ?
Mo3 N4 C1 N2 165.9(6) . . . . ?
O24 Mo5 O26 Mo4 16.1(11) . . . . ?
O24 Mo5 O4 Cd2 122.0(4) . . . . ?
O24 Mo6 O10 Mo3 -42.9(12) . . . . ?
O12 Mo2 O9 Cd1 92.7(4) . . . . ?
O12 Mo2 O9 Cd2 -107.6(4) . . . 2_666 ?
O6 Mo3 O10 Mo6 -177.5(9) . . . . ?
O17 Mo6 O10 Mo3 -86.7(9) . . . . ?
O15 Mo6 O10 Mo3 85.7(10) . . . . ?
O25 Mo5 O24 Mo6 175.3(4) . . . . ?
O25 Mo5 O26 Mo4 -112.9(8) . . . . ?
O25 Mo5 O4 Cd2 -137.9(4) . . . . ?
O11 Mo2 O12 Mo1 12.7(8) . . . . ?
O11 Mo2 O9 Cd1 6.2(4) . . . . ?
O11 Mo2 O9 Cd2 166.0(4) . . . 2_666 ?
O11 Mo3 O10 Mo6 -15.0(9) . . . . ?
O26 Mo5 O24 Mo6 44.4(7) . . . . ?
O26 Mo5 O4 Cd2 -30.7(5) . . . . ?
O23 Mo5 O24 Mo6 1.9(4) . . . . ?
O23 Mo5 O26 Mo4 55.8(8) . . . . ?
O23 Mo5 O4 Cd2 53.7(4) . . . . ?
O23 Mo6 O10 Mo3 -7.3(9) . . . . ?
O4 Mo5 O24 Mo6 -78.1(4) . . . . ?
O4 Mo5 O26 Mo4 140.0(8) . . . . ?
O8 Mo2 O12 Mo1 51.3(12) . . . . ?
O8 Mo2 O9 Cd1 -64.3(4) . . . . ?
O8 Mo2 O9 Cd2 95.4(4) . . . 2_666 ?
O8 Mo3 O10 Mo6 -54.4(12) . . . . ?
O7 Mo2 O12 Mo1 173.7(8) . . . . ?
O7 Mo2 O9 Cd1 -163.2(4) . . . . ?
O7 Mo2 O9 Cd2 -3.4(5) . . . 2_666 ?
O5 Mo3 O10 Mo6 74.4(10) . . . . ?
O9 Mo2 O12 Mo1 -79.6(8) . . . . ?
N4 Mo3 O10 Mo6 -87.5(9) . . . . ?
N4 N3 C2 N2 -0.6(10) . . . . ?
N6 Mo5 O24 Mo6 85.1(4) . . . . ?
N6 Mo5 O26 Mo4 -25.2(7) . . . . ?
N6 Mo5 O4 Cd2 29.2(12) . . . . ?
N6 N5 C11 N7 1.2(10) . . . . ?
N3 Mo2 O12 Mo1 85.0(8) . . . . ?
N3 Mo2 O9 Cd1 9.5(13) . . . . ?
N3 Mo2 O9 Cd2 169.2(7) . . . 2_666 ?
N3 N4 C1 N2 0.3(10) . . . . ?
N5 N6 C12 N7 -1.6(10) . . . . ?
O16 Mo6 O10 Mo3 -168.0(9) . . . . ?
C8 C9 C7 C6 0.8(13) . . . . ?
C8 C9 C10 N7 72.0(11) . . . . ?
C8 C4 C3 N2 -72.8(12) . . . . ?
C8 C4 C5 C6 1.0(14) . . . . ?
C11 N7 C12 N6 2.3(10) . . . . ?
C11 N7 C10 C9 60.8(12) . . . . ?
C9 C8 C4 C3 176.2(8) . . . . ?
C9 C8 C4 C5 -1.6(13) . . . . ?
C9 C7 C6 C5 -1.5(14) . . . . ?
C2 N2 C3 C4 -57.2(12) . . . . ?
C2 N2 C1 N4 -0.7(10) . . . . ?
C7 C9 C10 N7 -107.3(9) . . . . ?
C12 N7 C11 N5 -2.1(10) . . . . ?
C12 N7 C10 C9 -111.1(10) . . . . ?
C12 N6 N5 Mo4 -174.4(6) . . . . ?
C12 N6 N5 C11 0.3(9) . . . . ?
C10 N7 C11 N5 -175.3(8) . . . . ?
C10 N7 C12 N6 175.5(8) . . . . ?
C10 C9 C7 C6 -179.8(8) . . . . ?
C4 C8 C9 C7 0.7(13) . . . . ?
C4 C8 C9 C10 -178.7(8) . . . . ?
C4 C5 C6 C7 0.5(14) . . . . ?
C3 N2 C2 N3 -179.4(8) . . . . ?
C3 N2 C1 N4 179.5(9) . . . . ?
C3 C4 C5 C6 -176.8(9) . . . . ?
C5 C4 C3 N2 105.0(10) . . . . ?
C1 N4 N3 Mo2 170.6(6) . . . . ?
C1 N4 N3 C2 0.2(10) . . . . ?
C1 N2 C2 N3 0.8(10) . . . . ?
C1 N2 C3 C4 122.5(11) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
