# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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_sq
_database_code_depnum_ccdc_archive 'CCDC 1818548'
_audit_update_record             
;
2018-02-26 deposited with the CCDC.
2018-03-05 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            'C156 H168 Cd4 Mo36 N48 O132 P3'
_chemical_formula_weight         8823.72

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'
P P 0.1023 0.0942 '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'
Cd Cd -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      cubic
_space_group_IT_number           220
_space_group_name_H-M_alt        'I -4 3 d'
_space_group_name_Hall           'I -4bd 2c 3'

_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+1/2'
'x+1/2, -y+1/2, -z'
'z, x, y'
'z+1/2, -x+1/2, -y'
'-z+1/2, -x, y+1/2'
'-z, x+1/2, -y+1/2'
'y, z, x'
'-y, z+1/2, -x+1/2'
'y+1/2, -z+1/2, -x'
'-y+1/2, -z, x+1/2'
'y+1/4, x+1/4, z+1/4'
'-y+1/4, -x+3/4, z+3/4'
'y+3/4, -x+1/4, -z+3/4'
'-y+3/4, x+3/4, -z+1/4'
'x+1/4, z+1/4, y+1/4'
'-x+3/4, z+3/4, -y+1/4'
'-x+1/4, -z+3/4, y+3/4'
'x+3/4, -z+1/4, -y+3/4'
'z+1/4, y+1/4, x+1/4'
'z+3/4, -y+1/4, -x+3/4'
'-z+3/4, y+3/4, -x+1/4'
'-z+1/4, -y+3/4, x+3/4'
'x+1/2, y+1/2, z+1/2'
'-x+1, -y+1/2, z+1'
'-x+1/2, y+1, -z+1'
'x+1, -y+1, -z+1/2'
'z+1/2, x+1/2, y+1/2'
'z+1, -x+1, -y+1/2'
'-z+1, -x+1/2, y+1'
'-z+1/2, x+1, -y+1'
'y+1/2, z+1/2, x+1/2'
'-y+1/2, z+1, -x+1'
'y+1, -z+1, -x+1/2'
'-y+1, -z+1/2, x+1'
'y+3/4, x+3/4, z+3/4'
'-y+3/4, -x+5/4, z+5/4'
'y+5/4, -x+3/4, -z+5/4'
'-y+5/4, x+5/4, -z+3/4'
'x+3/4, z+3/4, y+3/4'
'-x+5/4, z+5/4, -y+3/4'
'-x+3/4, -z+5/4, y+5/4'
'x+5/4, -z+3/4, -y+5/4'
'z+3/4, y+3/4, x+3/4'
'z+5/4, -y+3/4, -x+5/4'
'-z+5/4, y+5/4, -x+3/4'
'-z+3/4, -y+5/4, x+5/4'

_cell_length_a                   30.1254(9)
_cell_length_b                   30.1254(9)
_cell_length_c                   30.1254(9)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     27340(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9974
_cell_measurement_theta_min      2.36
_cell_measurement_theta_max      27.59

_exptl_crystal_description       block
_exptl_crystal_colour            'dark green'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.144
_exptl_crystal_F_000             16980
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.260
_exptl_crystal_size_min          0.220
_exptl_absorpt_coefficient_mu    2.006
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.604
_exptl_absorpt_correction_T_max  0.667
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(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            97109
_diffrn_reflns_av_unetI/netI     0.0313
_diffrn_reflns_av_R_equivalents  0.0993
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_theta_min         1.656
_diffrn_reflns_theta_max         25.005
_diffrn_reflns_theta_full        25.005
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             4005
_reflns_number_gt                3284
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.885
_reflns_Friedel_fraction_max     0.998
_reflns_Friedel_fraction_full    0.998

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    ?
_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)+(0.0944P)²+51.9583P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 1375 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.05(3)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         4005
_refine_ls_number_parameters     273
_refine_ls_number_restraints     66
_refine_ls_R_factor_all          0.0703
_refine_ls_R_factor_gt           0.0508
_refine_ls_wR_factor_ref         0.1708
_refine_ls_wR_factor_gt          0.1440
_refine_ls_goodness_of_fit_ref   1.238
_refine_ls_restrained_S_all      1.242
_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
C1 C 0.0053(5) 0.1420(5) 0.0831(5) 0.059(4) Uani 1 1 d . . . . .
H1 H 0.011147 0.156307 0.056381 0.071 Uiso 1 1 calc R U . . .
C2 C -0.0164(6) 0.1282(6) 0.1481(6) 0.073(4) Uani 1 1 d . . . . .
H2 H -0.029953 0.131108 0.175724 0.087 Uiso 1 1 calc R U . . .
C3 C -0.0400(4) 0.2029(5) 0.1185(5) 0.051(3) Uani 1 1 d . . . . .
C4 C -0.0435(7) 0.2227(7) 0.1582(5) 0.084(6) Uani 1 1 d . . . . .
H4 H -0.029163 0.210464 0.182672 0.101 Uiso 1 1 calc R U . . .
C5 C -0.0678(7) 0.2607(6) 0.1630(5) 0.079(5) Uani 1 1 d . . . . .
H5 H -0.072986 0.272394 0.191132 0.095 Uiso 1 1 calc R U . . .
C6 C -0.0846(5) 0.2817(5) 0.1257(5) 0.053(3) Uani 1 1 d . . . . .
C7 C -0.0793(6) 0.2622(6) 0.0848(5) 0.067(4) Uani 1 1 d . . . . .
H7 H -0.090485 0.275869 0.059506 0.080 Uiso 1 1 calc R U . . .
C8 C -0.0563(5) 0.2207(5) 0.0814(5) 0.056(3) Uani 1 1 d . . . . .
H8 H -0.052868 0.206617 0.054095 0.067 Uiso 1 1 calc R U . . .
C9 C -0.1117(5) 0.3231(5) 0.1325(5) 0.052(3) Uani 1 1 d . . . . .
C10 C -0.1041(5) 0.3514(5) 0.1684(5) 0.055(3) Uani 1 1 d . . . . .
H10 H -0.080167 0.346076 0.187116 0.066 Uiso 1 1 calc R U . . .
C11 C 0.0671(13) -0.0368(12) -0.0098(9) 0.184(9) Uani 1 1 d . U . . .
H11 H 0.040348 -0.046826 0.002044 0.220 Uiso 1 1 calc R U . . .
C12 C 0.1310(11) -0.0610(13) -0.0520(12) 0.214 Uani 1 1 d D U . . .
H12A H 0.127552 -0.062526 -0.083629 0.321 Uiso 1 1 d R U . . .
H12B H 0.149183 -0.085219 -0.042095 0.321 Uiso 1 1 d DR U . . .
H12C H 0.144868 -0.033400 -0.044134 0.321 Uiso 1 1 d R U . . .
C13 C 0.0759(14) -0.1114(9) -0.0362(12) 0.223 Uani 1 1 d D U . . .
H13A H 0.077407 -0.127042 -0.008520 0.335 Uiso 1 1 d R U . . .
H13B H 0.094654 -0.125798 -0.057601 0.335 Uiso 1 1 d DR U . . .
H13C H 0.045870 -0.111265 -0.046789 0.335 Uiso 1 1 d R U . . .
Cd1 Cd 0.04868(4) 0.04868(4) 0.04868(4) 0.0614(5) Uani 1 3 d S T P . .
Mo1 Mo 0.82866(6) 0.04251(5) 0.97034(6) 0.0791(5) Uani 1 1 d . . . . .
Mo2 Mo 0.85503(6) 0.12780(5) 1.05364(7) 0.0832(6) Uani 1 1 d . . . . .
Mo3 Mo 0.82938(6) 0.20848(5) 0.97779(6) 0.0763(5) Uani 1 1 d . . . . .
N1 N 0.0184(4) 0.1019(5) 0.0922(4) 0.061(3) Uani 1 1 d . . . . .
N2 N 0.0050(5) 0.0940(5) 0.1361(4) 0.072(4) Uani 1 1 d . . . . .
N3 N -0.0175(4) 0.1602(4) 0.1162(4) 0.055(3) Uani 1 1 d . . . . .
N4 N 0.0875(9) -0.0670(7) -0.0298(7) 0.161(7) Uani 1 1 d D U . . .
O1 O 0.0727(8) -0.0020(7) -0.0028(8) 0.154(6) Uani 1 1 d . U . . .
O2 O 0.8696(4) 0.0049(4) 0.9681(6) 0.095(4) Uani 1 1 d . . . . .
O3 O 0.8415(4) 0.0763(4) 0.9193(5) 0.083(4) Uani 1 1 d . . . . .
O4 O 0.8545(4) 0.0877(4) 1.0050(4) 0.073(3) Uani 1 1 d . . . . .
O5 O 0.9043(5) 0.1168(5) 1.0776(6) 0.106(5) Uani 1 1 d . . . . .
O6 O 0.8716(4) 0.1743(4) 1.0127(5) 0.078(3) Uani 1 1 d . . . . .
O7 O 0.8635(5) 0.2477(4) 0.9558(6) 0.104(5) Uani 1 1 d . . . . .
O8 O 0.8124(4) 0.2361(3) 1.0332(4) 0.071(3) Uani 1 1 d . . . . .
O9 O 0.7752(4) 0.2236(3) 0.9519(4) 0.071(3) Uani 1 1 d . . . . .
O10 O 0.7873(4) 0.1546(3) 1.0197(3) 0.060(3) Uani 1 1 d . . . . .
O11 O 0.8311(4) 0.1632(3) 0.9336(4) 0.074(3) Uani 1 1 d . . . . .
P1 P 0.750000 0.125000 1.000000 0.0420(13) Uani 1 4 d S T 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
C1 N1 1.30(2) . ?
C1 N3 1.33(2) . ?
C1 H1 0.9300 . ?
C2 N2 1.27(2) . ?
C2 N3 1.36(2) . ?
C2 H2 0.9300 . ?
C3 C8 1.33(2) . ?
C3 C4 1.34(2) . ?
C3 N3 1.456(19) . ?
C4 C5 1.37(2) . ?
C4 H4 0.9300 . ?
C5 C6 1.39(2) . ?
C5 H5 0.9300 . ?
C6 C7 1.37(2) . ?
C6 C9 1.50(2) . ?
C7 C8 1.43(2) . ?
C7 H7 0.9300 . ?
C8 H8 0.9300 . ?
C9 C10 1.40(2) . ?
C9 C10 1.43(2) 11_455 ?
C10 H10 0.9300 . ?
C11 O1 1.08(4) . ?
C11 N4 1.25(4) . ?
C11 H11 0.9300 . ?
C12 N4 1.481(14) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 N4 1.396(14) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
Cd1 N1 2.262(13) . ?
Cd1 N1 2.262(13) 9 ?
Cd1 N1 2.262(13) 5 ?
Cd1 O1 2.295(18) . ?
Cd1 O1 2.295(18) 9 ?
Cd1 O1 2.295(18) 5 ?
Mo1 O2 1.676(12) . ?
Mo1 O8 1.895(12) 22_456 ?
Mo1 O3 1.885(14) . ?
Mo1 O4 1.886(12) . ?
Mo1 O9 1.953(13) 48_644 ?
Mo1 O10 2.398(10) 22_456 ?
Mo2 O5 1.683(13) . ?
Mo2 O4 1.897(13) . ?
Mo2 O11 1.886(12) 48_644 ?
Mo2 O3 1.935(13) 48_644 ?
Mo2 O6 1.932(13) . ?
Mo2 O10 2.421(11) . ?
Mo3 O7 1.701(14) . ?
Mo3 O9 1.866(14) . ?
Mo3 O11 1.907(11) . ?
Mo3 O6 1.945(13) . ?
Mo3 O8 1.934(11) . ?
Mo3 O10 2.417(10) . ?
N1 N2 1.403(19) . ?
O10 P1 1.551(11) . ?

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
N1 C1 N3 112.5(14) . . ?
N1 C1 H1 123.8 . . ?
N3 C1 H1 123.8 . . ?
N2 C2 N3 112.6(15) . . ?
N2 C2 H2 123.7 . . ?
N3 C2 H2 123.7 . . ?
C8 C3 C4 122.8(14) . . ?
C8 C3 N3 119.2(12) . . ?
C4 C3 N3 118.1(13) . . ?
C5 C4 C3 120.6(15) . . ?
C5 C4 H4 119.7 . . ?
C3 C4 H4 119.7 . . ?
C4 C5 C6 119.4(14) . . ?
C4 C5 H5 120.3 . . ?
C6 C5 H5 120.3 . . ?
C5 C6 C7 119.3(13) . . ?
C5 C6 C9 117.7(13) . . ?
C7 C6 C9 122.7(13) . . ?
C6 C7 C8 119.7(14) . . ?
C6 C7 H7 120.2 . . ?
C8 C7 H7 120.2 . . ?
C3 C8 C7 117.9(13) . . ?
C3 C8 H8 121.1 . . ?
C7 C8 H8 121.1 . . ?
C10 C9 C10 118.7(15) . 11_455 ?
C10 C9 C6 121.6(13) . . ?
C10 C9 C6 119.4(13) 11_455 . ?
C9 C10 C9 121.3(15) . 8 ?
C9 C10 H10 119.4 . . ?
C9 C10 H10 119.4 8 . ?
O1 C11 N4 136(4) . . ?
O1 C11 H11 112.1 . . ?
N4 C11 H11 112.1 . . ?
N4 C12 H12A 110.3 . . ?
N4 C12 H12B 105.8 . . ?
H12A C12 H12B 109.5 . . ?
N4 C12 H12C 112.2 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N4 C13 H13A 109.8 . . ?
N4 C13 H13B 112.3 . . ?
H13A C13 H13B 109.5 . . ?
N4 C13 H13C 106.2 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
N1 Cd1 N1 96.2(4) . 9 ?
N1 Cd1 N1 96.2(4) . 5 ?
N1 Cd1 N1 96.2(4) 9 5 ?
N1 Cd1 O1 172.1(7) . . ?
N1 Cd1 O1 83.7(7) 9 . ?
N1 Cd1 O1 91.6(7) 5 . ?
N1 Cd1 O1 91.6(7) . 9 ?
N1 Cd1 O1 172.1(7) 9 9 ?
N1 Cd1 O1 83.7(7) 5 9 ?
O1 Cd1 O1 88.5(9) . 9 ?
N1 Cd1 O1 83.7(7) . 5 ?
N1 Cd1 O1 91.6(7) 9 5 ?
N1 Cd1 O1 172.1(7) 5 5 ?
O1 Cd1 O1 88.5(9) . 5 ?
O1 Cd1 O1 88.5(9) 9 5 ?
O2 Mo1 O8 101.7(6) . 22_456 ?
O2 Mo1 O3 100.5(7) . . ?
O8 Mo1 O3 88.2(6) 22_456 . ?
O2 Mo1 O4 102.0(6) . . ?
O8 Mo1 O4 156.3(5) 22_456 . ?
O3 Mo1 O4 88.7(6) . . ?
O2 Mo1 O9 102.3(7) . 48_644 ?
O8 Mo1 O9 89.3(5) 22_456 48_644 ?
O3 Mo1 O9 157.1(5) . 48_644 ?
O4 Mo1 O9 84.6(5) . 48_644 ?
O2 Mo1 O10 172.1(7) . 22_456 ?
O8 Mo1 O10 73.6(4) 22_456 22_456 ?
O3 Mo1 O10 73.4(4) . 22_456 ?
O4 Mo1 O10 83.0(4) . 22_456 ?
O9 Mo1 O10 84.1(4) 48_644 22_456 ?
O5 Mo2 O4 102.3(7) . . ?
O5 Mo2 O11 103.0(7) . 48_644 ?
O4 Mo2 O11 85.2(5) . 48_644 ?
O5 Mo2 O3 102.8(8) . 48_644 ?
O4 Mo2 O3 154.9(5) . 48_644 ?
O11 Mo2 O3 88.7(6) 48_644 48_644 ?
O5 Mo2 O6 100.9(7) . . ?
O4 Mo2 O6 88.3(5) . . ?
O11 Mo2 O6 156.0(5) 48_644 . ?
O3 Mo2 O6 87.4(6) 48_644 . ?
O5 Mo2 O10 171.9(6) . . ?
O4 Mo2 O10 83.1(4) . . ?
O11 Mo2 O10 83.3(4) 48_644 . ?
O3 Mo2 O10 72.0(4) 48_644 . ?
O6 Mo2 O10 73.0(4) . . ?
O7 Mo3 O9 101.3(6) . . ?
O7 Mo3 O11 102.0(6) . . ?
O9 Mo3 O11 84.6(5) . . ?
O7 Mo3 O6 100.5(7) . . ?
O9 Mo3 O6 158.1(5) . . ?
O11 Mo3 O6 89.0(5) . . ?
O7 Mo3 O8 101.4(6) . . ?
O9 Mo3 O8 91.4(5) . . ?
O11 Mo3 O8 156.6(5) . . ?
O6 Mo3 O8 86.2(6) . . ?
O7 Mo3 O10 171.0(7) . . ?
O9 Mo3 O10 85.6(4) . . ?
O11 Mo3 O10 84.2(4) . . ?
O6 Mo3 O10 72.9(4) . . ?
O8 Mo3 O10 72.5(4) . . ?
C1 N1 N2 105.6(13) . . ?
C1 N1 Cd1 131.2(11) . . ?
N2 N1 Cd1 122.9(10) . . ?
C2 N2 N1 106.2(13) . . ?
C1 N3 C2 103.1(14) . . ?
C1 N3 C3 129.9(13) . . ?
C2 N3 C3 127.0(12) . . ?
C11 N4 C13 130(3) . . ?
C11 N4 C12 124(3) . . ?
C13 N4 C12 106.0(13) . . ?
C11 O1 Cd1 136(3) . . ?
Mo1 O3 Mo2 125.1(6) . 22_456 ?
Mo2 O4 Mo1 152.9(7) . . ?
Mo3 O6 Mo2 124.0(6) . . ?
Mo1 O8 Mo3 124.5(5) 48_644 . ?
Mo3 O9 Mo1 151.2(6) . 22_456 ?
P1 O10 Mo1 126.6(6) . 48_644 ?
P1 O10 Mo3 124.4(5) . . ?
Mo1 O10 Mo3 89.5(3) 48_644 . ?
P1 O10 Mo2 125.5(5) . . ?
Mo1 O10 Mo2 89.4(4) 48_644 . ?
Mo3 O10 Mo2 90.1(4) . . ?
Mo3 O11 Mo2 152.5(7) . 22_456 ?
O10 P1 O10 109.2(3) . 22_456 ?
O10 P1 O10 109.9(7) . 27_646 ?
O10 P1 O10 109.2(3) 22_456 27_646 ?
O10 P1 O10 109.3(3) . 48_644 ?
O10 P1 O10 109.9(7) 22_456 48_644 ?
O10 P1 O10 109.2(3) 27_646 48_644 ?

_refine_diff_density_max         1.040
_refine_diff_density_min         -0.532
_refine_diff_density_rms         0.118



