# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_LL
_database_code_depnum_ccdc_archive 'CCDC 2034009'
loop_
_audit_author_name
_audit_author_address
'Shaobin Li'
; Qiqihar University
China
;
_audit_update_record             
;
2020-09-26 deposited with the CCDC.	2020-11-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C60 H57  Cu4 Mo12 N16 O50 P3'
_chemical_formula_weight         3300.55

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'
Cu Cu 0.3201 1.2651 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_H-M_alt        'C 2/m'
_space_group_name_Hall           '-C 2y'

_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, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'

_cell_length_a                   24.841(6)
_cell_length_b                   18.316(4)
_cell_length_c                   10.897(5)
_cell_angle_alpha                90
_cell_angle_beta                 105.586(4)
_cell_angle_gamma                90
_cell_volume                     4776(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    2367
_cell_measurement_theta_min      2.20
_cell_measurement_theta_max      25.30

_exptl_crystal_description       block
_exptl_crystal_colour            green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.290
_exptl_crystal_F_000             3174
_exptl_transmission_factor_min   0.701
_exptl_transmission_factor_max   0.776
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_exptl_absorpt_coefficient_mu    2.538
_shelx_estimated_absorpt_T_min   0.701
_shelx_estimated_absorpt_T_max   0.776
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            13369
_diffrn_reflns_av_unetI/netI     0.0821
_diffrn_reflns_av_R_equivalents  0.0828
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         1.400
_diffrn_reflns_theta_max         25.024
_diffrn_reflns_theta_full        25.024
_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             4365
_reflns_number_gt                2789
_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 SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4363
_refine_ls_number_parameters     360
_refine_ls_number_restraints     36
_refine_ls_R_factor_all          0.1046
_refine_ls_R_factor_gt           0.0617
_refine_ls_wR_factor_ref         0.2170
_refine_ls_wR_factor_gt          0.1834
_refine_ls_goodness_of_fit_ref   0.769
_refine_ls_restrained_S_all      0.790
_refine_ls_shift/su_max          0.000
_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
Mo1 Mo -0.06811(5) 0.09866(5) 0.20528(10) 0.0475(3) Uani 1 1 d . . . . .
Mo2 Mo 0.12826(4) -0.09933(5) 0.13711(10) 0.0489(3) Uani 1 1 d . . . . .
Mo4 Mo 0.000000 0.19693(7) 0.000000 0.0568(5) Uani 1 2 d S T P . .
Mo3 Mo 0.06061(5) 0.000000 0.34215(12) 0.0447(4) Uani 1 2 d S T P . .
Cu1 Cu 0.00403(4) 0.40698(6) 0.18629(11) 0.0268(3) Uani 1 1 d . . . . .
P1 P 0.000000 0.000000 0.000000 0.0269(10) Uani 1 4 d S T P . .
P2 P 0.07550(11) 0.500000 0.0450(3) 0.0223(7) Uani 1 2 d S T P . .
O3 O 0.0391(5) -0.0676(6) -0.0130(11) 0.026(3) Uani 0.5 1 d . . P . .
O9 O 0.0014(3) 0.0730(4) 0.3203(10) 0.069(3) Uani 1 1 d . . . . .
O4 O 0.0726(5) -0.1766(6) 0.1090(9) 0.099(3) Uani 1 1 d . U . . .
O14 O 0.000000 0.2894(5) 0.000000 0.040(2) Uani 1 2 d S T P . .
O13 O -0.0308(5) 0.1777(6) 0.1416(9) 0.098(3) Uani 1 1 d . U . . .
O12 O -0.0995(4) 0.1456(5) 0.2998(9) 0.068(2) Uani 1 1 d . . . . .
O10 O -0.0926(4) 0.000000 0.2184(14) 0.062(4) Uani 1 2 d S T P . .
O11 O -0.1233(5) 0.1037(5) 0.0411(9) 0.092(3) Uani 1 1 d . U . . .
O8 O 0.0885(8) 0.000000 0.4966(13) 0.116(7) Uani 1 2 d S T P . .
O7 O 0.1054(3) -0.0722(4) 0.2877(10) 0.065(2) Uani 1 1 d . . . . .
O5 O 0.1543(5) 0.000000 0.1381(13) 0.064(4) Uani 1 2 d S T P . .
O6 O 0.1888(4) -0.1433(5) 0.2026(9) 0.078(3) Uani 1 1 d . . . . .
O16 O 0.0660(2) 0.4290(3) 0.1135(6) 0.0265(13) Uani 1 1 d . U . . .
O17 O -0.0386(3) 0.500000 0.0990(8) 0.0255(19) Uani 1 2 d S T P . .
N1 N -0.0664(3) 0.3656(4) 0.2122(7) 0.0297(17) Uani 1 1 d . . . . .
N2 N -0.1517(3) 0.3166(4) 0.1551(8) 0.0317(18) Uani 1 1 d . . . . .
N3 N 0.0527(3) 0.3298(4) 0.2949(7) 0.0279(17) Uani 1 1 d . . . . .
N4 N 0.1327(3) 0.2753(4) 0.3997(8) 0.0324(18) Uani 1 1 d . . . . .
C1 C -0.0889(4) 0.3724(6) 0.3140(10) 0.042(3) Uani 1 1 d . . . . .
H1 H -0.071236 0.392531 0.392910 0.051 Uiso 1 1 calc R U . . .
C2 C -0.1049(3) 0.3332(5) 0.1165(9) 0.031(2) Uani 1 1 d . . . . .
H2 H -0.100341 0.323582 0.036071 0.037 Uiso 1 1 calc R U . . .
C3 C -0.1434(4) 0.3435(6) 0.2774(10) 0.044(3) Uani 1 1 d . . . . .
H3 H -0.168971 0.342744 0.326053 0.053 Uiso 1 1 calc R U . . .
C4 C -0.2023(3) 0.2829(5) 0.0763(10) 0.033(2) Uani 1 1 d . . . . .
C5 C -0.2277(4) 0.2256(6) 0.1273(11) 0.044(3) Uani 1 1 d . . . . .
H5 H -0.212684 0.209482 0.210391 0.052 Uiso 1 1 calc R U . . .
C6 C -0.2241(4) 0.3061(6) -0.0496(10) 0.042(2) Uani 1 1 d . . . . .
H6 H -0.206250 0.343176 -0.081868 0.050 Uiso 1 1 calc R U . . .
C7 C 0.0405(4) 0.2711(5) 0.3683(9) 0.034(2) Uani 1 1 d . . . . .
H7 H 0.004767 0.257505 0.370933 0.040 Uiso 1 1 calc R U . . .
C8 C 0.0878(4) 0.2378(5) 0.4335(10) 0.035(2) Uani 1 1 d . . . . .
H8 H 0.090865 0.198521 0.489068 0.042 Uiso 1 1 calc R U . . .
C9 C 0.1084(4) 0.3291(5) 0.3185(9) 0.032(2) Uani 1 1 d . . . . .
H9 H 0.128336 0.362152 0.282876 0.038 Uiso 1 1 calc R U . . .
C10 C 0.1933(4) 0.2629(5) 0.4501(9) 0.034(2) Uani 1 1 d . . . . .
C11 C 0.2305(4) 0.3191(6) 0.4557(11) 0.044(3) Uani 1 1 d . . . . .
H11 H 0.217273 0.365080 0.426133 0.052 Uiso 1 1 calc R U . . .
C12 C 0.2121(4) 0.1917(6) 0.4949(10) 0.041(2) Uani 1 1 d . . . . .
H12 H 0.186891 0.153675 0.491254 0.049 Uiso 1 1 calc R U . . .
C14 C 0.1500(4) 0.500000 0.0496(13) 0.025(3) Uani 1 2 d S T P . .
C15 C 0.1898(5) 0.500000 0.1716(13) 0.035(3) Uani 1 2 d S T P . .
H15 H 0.177775 0.500000 0.245441 0.042 Uiso 1 2 calc R U P . .
C16 C 0.2475(6) 0.500000 0.1794(16) 0.046(4) Uani 1 2 d S TU P . .
H16 H 0.273948 0.500000 0.258165 0.055 Uiso 1 2 calc R U P . .
C17 C 0.2645(5) 0.500000 0.0647(15) 0.040(3) Uani 1 2 d S TU P . .
H17 H 0.302434 0.500000 0.069371 0.048 Uiso 1 2 calc R U P . .
C18 C 0.2264(5) 0.500000 -0.0526(17) 0.046(4) Uani 1 2 d S T P . .
H18 H 0.238695 0.500000 -0.126010 0.055 Uiso 1 2 calc R U P . .
C13 C 0.1696(5) 0.500000 -0.0622(14) 0.031(3) Uani 1 2 d S T P . .
H13 H 0.144051 0.500000 -0.142180 0.038 Uiso 1 2 calc R U P . .
O1 O 0.0499(7) 0.000000 0.1095(17) 0.029(4) Uani 0.5 2 d S T P . .
O2 O -0.0087(6) 0.000000 0.1336(17) 0.028(4) Uani 0.5 2 d S T P . .
O1W O 0.1558(8) 0.500000 0.500(2) 0.166(10) Uani 1 2 d S T P . .
O15 O 0.0259(2) 0.500000 0.3924(6) 0.0069(13) 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
Mo1 O12 1.685(8) . ?
Mo1 O11 1.941(10) . ?
Mo1 O9 1.899(9) . ?
Mo1 O10 1.924(4) . ?
Mo1 O13 1.945(9) . ?
Mo1 O3 2.458(11) 5 ?
Mo1 O2 2.583(11) . ?
Mo2 O6 1.686(8) . ?
Mo2 O7 1.941(9) . ?
Mo2 O11 1.914(10) 5 ?
Mo2 O5 1.930(4) . ?
Mo2 O4 1.944(9) . ?
Mo2 O3 2.444(11) . ?
Mo2 O1 2.622(12) . ?
Mo4 O14 1.695(9) . ?
Mo4 O4 1.910(10) 5 ?
Mo4 O4 1.910(10) 6 ?
Mo4 O13 1.929(10) 2 ?
Mo4 O13 1.929(10) . ?
Mo4 O3 2.578(11) 5 ?
Mo4 O3 2.578(11) 6 ?
Mo3 O8 1.639(13) . ?
Mo3 O7 1.921(8) . ?
Mo3 O7 1.921(8) 6 ?
Mo3 O9 1.955(7) 6 ?
Mo3 O9 1.955(7) . ?
Mo3 O1 2.477(18) . ?
Mo3 O2 2.456(17) . ?
Cu1 O16 1.953(6) . ?
Cu1 N1 1.995(7) . ?
Cu1 N3 2.023(7) . ?
Cu1 O17 2.094(5) . ?
Cu1 Cu1 3.408(2) 6_565 ?
P1 O1 1.472(17) 5 ?
P1 O1 1.472(17) . ?
P1 O2 1.528(17) 5 ?
P1 O2 1.528(17) . ?
P1 O3 1.603(12) . ?
P1 O3 1.604(12) 2 ?
P1 O3 1.604(12) 6 ?
P1 O3 1.604(12) 5 ?
P2 O16 1.549(6) . ?
P2 O16 1.550(6) 6_565 ?
P2 O17 1.591(9) 5_565 ?
P2 C14 1.839(11) . ?
O3 O2 1.815(17) 5 ?
O3 O1 1.788(18) . ?
N1 C2 1.348(11) . ?
N1 C1 1.375(13) . ?
N2 C2 1.374(11) . ?
N2 C3 1.384(13) . ?
N2 C4 1.454(11) . ?
N3 C9 1.337(11) . ?
N3 C7 1.422(11) . ?
N4 C9 1.353(11) . ?
N4 C8 1.441(12) . ?
N4 C10 1.473(11) . ?
C1 C3 1.409(12) . ?
C1 H1 0.9300 . ?
C2 H2 0.9300 . ?
C3 H3 0.9300 . ?
C4 C6 1.400(14) . ?
C4 C5 1.413(13) . ?
C5 C6 1.393(13) 7_455 ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C8 1.344(13) . ?
C7 H7 0.9300 . ?
C8 H8 0.9300 . ?
C9 H9 0.9300 . ?
C10 C11 1.375(14) . ?
C10 C12 1.426(13) . ?
C11 C12 1.397(13) 7_556 ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C14 C15 1.427(17) . ?
C14 C13 1.428(18) . ?
C15 C16 1.414(19) . ?
C15 H15 0.9300 . ?
C16 C17 1.42(2) . ?
C16 H16 0.9300 . ?
C17 C18 1.37(2) . ?
C17 H17 0.9300 . ?
C18 C13 1.386(18) . ?
C18 H18 0.9300 . ?
C13 H13 0.9300 . ?
O1 O2 1.55(2) . ?

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
O12 Mo1 O11 102.2(5) . . ?
O12 Mo1 O9 102.1(4) . . ?
O11 Mo1 O9 155.6(5) . . ?
O12 Mo1 O10 103.1(5) . . ?
O11 Mo1 O10 87.4(5) . . ?
O9 Mo1 O10 88.2(4) . . ?
O12 Mo1 O13 100.5(5) . . ?
O11 Mo1 O13 85.5(4) . . ?
O9 Mo1 O13 89.0(4) . . ?
O10 Mo1 O13 156.3(5) . . ?
O12 Mo1 O3 158.2(4) . 5 ?
O11 Mo1 O3 61.4(5) . 5 ?
O9 Mo1 O3 94.7(4) . 5 ?
O10 Mo1 O3 91.0(5) . 5 ?
O13 Mo1 O3 65.8(4) . 5 ?
O12 Mo1 O2 159.6(5) . . ?
O11 Mo1 O2 94.2(5) . . ?
O9 Mo1 O2 62.3(5) . . ?
O10 Mo1 O2 65.4(4) . . ?
O13 Mo1 O2 92.7(5) . . ?
O3 Mo1 O2 42.1(4) 5 . ?
O6 Mo2 O7 101.3(4) . . ?
O6 Mo2 O11 102.5(5) . 5 ?
O7 Mo2 O11 156.2(5) . 5 ?
O6 Mo2 O5 100.8(5) . . ?
O7 Mo2 O5 85.9(4) . . ?
O11 Mo2 O5 88.6(5) 5 . ?
O6 Mo2 O4 103.6(5) . . ?
O7 Mo2 O4 87.8(4) . . ?
O11 Mo2 O4 87.7(4) 5 . ?
O5 Mo2 O4 155.5(5) . . ?
O6 Mo2 O3 160.4(4) . . ?
O7 Mo2 O3 95.0(4) . . ?
O11 Mo2 O3 62.0(5) 5 . ?
O5 Mo2 O3 91.3(5) . . ?
O4 Mo2 O3 65.7(4) . . ?
O6 Mo2 O1 158.5(5) . . ?
O7 Mo2 O1 62.7(5) . . ?
O11 Mo2 O1 93.9(5) 5 . ?
O5 Mo2 O1 65.4(4) . . ?
O4 Mo2 O1 90.7(5) . . ?
O3 Mo2 O1 41.1(4) . . ?
O14 Mo4 O4 101.3(3) . 5 ?
O14 Mo4 O4 101.3(3) . 6 ?
O4 Mo4 O4 157.5(7) 5 6 ?
O14 Mo4 O13 100.5(3) . 2 ?
O4 Mo4 O13 88.7(5) 5 2 ?
O4 Mo4 O13 87.2(4) 6 2 ?
O14 Mo4 O13 100.5(3) . . ?
O4 Mo4 O13 87.2(4) 5 . ?
O4 Mo4 O13 88.7(5) 6 . ?
O13 Mo4 O13 158.9(7) 2 . ?
O14 Mo4 O3 156.7(3) . 5 ?
O4 Mo4 O3 63.1(4) 5 5 ?
O4 Mo4 O3 95.3(4) 6 5 ?
O13 Mo4 O3 96.4(4) 2 5 ?
O13 Mo4 O3 63.4(4) . 5 ?
O14 Mo4 O3 156.7(3) . 6 ?
O4 Mo4 O3 95.3(4) 5 6 ?
O4 Mo4 O3 63.1(4) 6 6 ?
O13 Mo4 O3 63.4(4) 2 6 ?
O13 Mo4 O3 96.4(4) . 6 ?
O3 Mo4 O3 46.5(5) 5 6 ?
O8 Mo3 O7 101.4(6) . . ?
O8 Mo3 O7 101.4(6) . 6 ?
O7 Mo3 O7 87.0(4) . 6 ?
O8 Mo3 O9 102.8(6) . 6 ?
O7 Mo3 O9 88.3(3) . 6 ?
O7 Mo3 O9 155.8(4) 6 6 ?
O8 Mo3 O9 102.8(6) . . ?
O7 Mo3 O9 155.8(4) . . ?
O7 Mo3 O9 88.3(3) 6 . ?
O9 Mo3 O9 86.3(4) 6 . ?
O8 Mo3 O1 161.9(8) . . ?
O7 Mo3 O1 66.2(4) . . ?
O7 Mo3 O1 66.2(4) 6 . ?
O9 Mo3 O1 90.3(4) 6 . ?
O9 Mo3 O1 90.3(4) . . ?
O8 Mo3 O2 161.5(8) . . ?
O7 Mo3 O2 92.0(4) . . ?
O7 Mo3 O2 92.0(4) 6 . ?
O9 Mo3 O2 64.5(4) 6 . ?
O9 Mo3 O2 64.5(4) . . ?
O1 Mo3 O2 36.6(5) . . ?
O16 Cu1 N1 162.2(3) . . ?
O16 Cu1 N3 88.2(3) . . ?
N1 Cu1 N3 93.5(3) . . ?
O16 Cu1 O17 90.3(3) . . ?
N1 Cu1 O17 91.0(3) . . ?
N3 Cu1 O17 169.7(3) . . ?
O16 Cu1 Cu1 78.09(17) . 6_565 ?
N1 Cu1 Cu1 112.3(2) . 6_565 ?
N3 Cu1 Cu1 134.3(2) . 6_565 ?
O17 Cu1 Cu1 35.56(17) . 6_565 ?
O1 P1 O1 180.0 5 . ?
O1 P1 O2 62.1(9) 5 5 ?
O1 P1 O2 117.9(9) . 5 ?
O1 P1 O2 117.9(9) 5 . ?
O1 P1 O2 62.1(9) . . ?
O2 P1 O2 180.0 5 . ?
O1 P1 O3 109.0(6) 5 . ?
O1 P1 O3 71.0(6) . . ?
O2 P1 O3 70.8(5) 5 . ?
O2 P1 O3 109.2(5) . . ?
O1 P1 O3 71.0(6) 5 2 ?
O1 P1 O3 109.0(6) . 2 ?
O2 P1 O3 109.2(5) 5 2 ?
O2 P1 O3 70.8(5) . 2 ?
O3 P1 O3 78.9(8) . 2 ?
O1 P1 O3 109.0(6) 5 6 ?
O1 P1 O3 71.0(6) . 6 ?
O2 P1 O3 70.8(5) 5 6 ?
O2 P1 O3 109.2(5) . 6 ?
O3 P1 O3 101.1(8) . 6 ?
O3 P1 O3 180.0(10) 2 6 ?
O1 P1 O3 71.0(6) 5 5 ?
O1 P1 O3 109.0(6) . 5 ?
O2 P1 O3 109.2(5) 5 5 ?
O2 P1 O3 70.8(5) . 5 ?
O3 P1 O3 180.0 . 5 ?
O3 P1 O3 101.1(8) 2 5 ?
O3 P1 O3 78.9(8) 6 5 ?
O16 P2 O16 114.2(5) . 6_565 ?
O16 P2 O17 110.7(3) . 5_565 ?
O16 P2 O17 110.7(3) 6_565 5_565 ?
O16 P2 C14 105.7(3) . . ?
O16 P2 C14 105.7(3) 6_565 . ?
O17 P2 C14 109.7(5) 5_565 . ?
P1 O3 O2 52.6(6) . 5 ?
P1 O3 O1 51.1(6) . . ?
O2 O3 O1 91.0(8) 5 . ?
P1 O3 Mo1 125.3(6) . 5 ?
O2 O3 Mo1 72.6(6) 5 5 ?
O1 O3 Mo1 141.0(8) . 5 ?
P1 O3 Mo2 125.9(6) . . ?
O2 O3 Mo2 140.5(7) 5 . ?
O1 O3 Mo2 74.8(6) . . ?
Mo1 O3 Mo2 95.4(4) 5 . ?
P1 O3 Mo4 117.3(6) . 5 ?
O2 O3 Mo4 125.3(7) 5 5 ?
O1 O3 Mo4 125.3(7) . 5 ?
Mo1 O3 Mo4 92.0(4) 5 5 ?
Mo2 O3 Mo4 91.8(4) . 5 ?
Mo1 O9 Mo3 140.4(5) . . ?
Mo4 O4 Mo2 138.8(6) 5 . ?
Mo4 O13 Mo1 138.7(6) . . ?
Mo1 O10 Mo1 139.8(6) 6 . ?
Mo1 O11 Mo2 140.4(7) . 5 ?
Mo2 O7 Mo3 139.7(5) . . ?
Mo2 O5 Mo2 141.0(6) 6 . ?
P2 O16 Cu1 127.4(3) . . ?
P2 O17 Cu1 122.4(2) 5_565 . ?
P2 O17 Cu1 122.4(2) 5_565 6_565 ?
Cu1 O17 Cu1 108.9(3) . 6_565 ?
C2 N1 C1 107.9(8) . . ?
C2 N1 Cu1 121.6(6) . . ?
C1 N1 Cu1 129.9(6) . . ?
C2 N2 C3 107.2(7) . . ?
C2 N2 C4 125.6(8) . . ?
C3 N2 C4 126.9(8) . . ?
C9 N3 C7 104.5(7) . . ?
C9 N3 Cu1 123.0(6) . . ?
C7 N3 Cu1 132.4(6) . . ?
C9 N4 C8 105.9(7) . . ?
C9 N4 C10 126.0(8) . . ?
C8 N4 C10 127.9(8) . . ?
N1 C1 C3 107.8(9) . . ?
N1 C1 H1 126.1 . . ?
C3 C1 H1 126.1 . . ?
N1 C2 N2 110.1(8) . . ?
N1 C2 H2 124.9 . . ?
N2 C2 H2 124.9 . . ?
N2 C3 C1 106.9(9) . . ?
N2 C3 H3 126.6 . . ?
C1 C3 H3 126.6 . . ?
C6 C4 N2 119.7(8) . . ?
C6 C4 C5 121.0(8) . . ?
N2 C4 C5 119.3(9) . . ?
C6 C5 C4 118.2(10) 7_455 . ?
C6 C5 H5 120.9 7_455 . ?
C4 C5 H5 120.9 . . ?
C5 C6 C4 120.8(9) 7_455 . ?
C5 C6 H6 119.6 7_455 . ?
C4 C6 H6 119.6 . . ?
C8 C7 N3 110.6(8) . . ?
C8 C7 H7 124.7 . . ?
N3 C7 H7 124.7 . . ?
C7 C8 N4 106.0(8) . . ?
C7 C8 H8 127.0 . . ?
N4 C8 H8 127.0 . . ?
N3 C9 N4 113.0(8) . . ?
N3 C9 H9 123.5 . . ?
N4 C9 H9 123.5 . . ?
C11 C10 C12 121.0(8) . . ?
C11 C10 N4 120.6(8) . . ?
C12 C10 N4 118.5(8) . . ?
C10 C11 C12 121.1(9) . 7_556 ?
C10 C11 H11 119.4 . . ?
C12 C11 H11 119.4 7_556 . ?
C11 C12 C10 117.9(9) 7_556 . ?
C11 C12 H12 121.0 7_556 . ?
C10 C12 H12 121.0 . . ?
C15 C14 C13 119.1(11) . . ?
C15 C14 P2 117.7(10) . . ?
C13 C14 P2 123.2(10) . . ?
C14 C15 C16 119.5(14) . . ?
C14 C15 H15 120.2 . . ?
C16 C15 H15 120.2 . . ?
C17 C16 C15 118.9(14) . . ?
C17 C16 H16 120.6 . . ?
C15 C16 H16 120.6 . . ?
C18 C17 C16 121.7(12) . . ?
C18 C17 H17 119.1 . . ?
C16 C17 H17 119.1 . . ?
C17 C18 C13 120.3(14) . . ?
C17 C18 H18 119.9 . . ?
C13 C18 H18 119.9 . . ?
C18 C13 C14 120.5(13) . . ?
C18 C13 H13 119.7 . . ?
C14 C13 H13 119.7 . . ?
P1 O1 O2 60.8(9) . . ?
P1 O1 O3 58.0(6) . 6 ?
O2 O1 O3 99.6(9) . 6 ?
P1 O1 O3 58.0(6) . . ?
O2 O1 O3 99.6(9) . . ?
O3 O1 O3 87.7(11) 6 . ?
P1 O1 Mo3 131.7(10) . . ?
O2 O1 Mo3 71.0(9) . . ?
O3 O1 Mo3 135.9(6) 6 . ?
O3 O1 Mo3 135.9(6) . . ?
P1 O1 Mo2 122.0(6) . 6 ?
O2 O1 Mo2 133.2(5) . 6 ?
O3 O1 Mo2 64.1(5) 6 6 ?
O3 O1 Mo2 121.6(9) . 6 ?
Mo3 O1 Mo2 90.6(5) . 6 ?
P1 O1 Mo2 122.0(6) . . ?
O2 O1 Mo2 133.2(5) . . ?
O3 O1 Mo2 121.6(9) 6 . ?
O3 O1 Mo2 64.1(5) . . ?
Mo3 O1 Mo2 90.6(5) . . ?
Mo2 O1 Mo2 87.9(5) 6 . ?
P1 O2 O1 57.2(9) . . ?
P1 O2 O3 56.5(6) . 2 ?
O1 O2 O3 96.0(9) . 2 ?
P1 O2 O3 56.5(6) . 5 ?
O1 O2 O3 96.0(9) . 5 ?
O3 O2 O3 86.0(11) 2 5 ?
P1 O2 Mo3 129.6(8) . . ?
O1 O2 Mo3 72.5(9) . . ?
O3 O2 Mo3 136.2(5) 2 . ?
O3 O2 Mo3 136.2(5) 5 . ?
P1 O2 Mo1 121.8(6) . 6 ?
O1 O2 Mo1 133.7(4) . 6 ?
O3 O2 Mo1 65.3(4) 2 6 ?
O3 O2 Mo1 122.4(8) 5 6 ?
Mo3 O2 Mo1 92.0(5) . 6 ?
P1 O2 Mo1 121.8(6) . . ?
O1 O2 Mo1 133.7(4) . . ?
O3 O2 Mo1 122.4(8) 2 . ?
O3 O2 Mo1 65.3(4) 5 . ?
Mo3 O2 Mo1 92.0(5) . . ?
Mo1 O2 Mo1 88.8(5) 6 . ?

_refine_diff_density_max         2.799
_refine_diff_density_min         -1.092
_refine_diff_density_rms         0.221



