# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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. 
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data_compound-1
_database_code_depnum_ccdc_archive 'CCDC 1481869'
_audit_update_record             
;
2016-07-12 deposited with the CCDC.
2016-07-28 downloaded from the CCDC.
;
_audit_creation_date             2016-07-05
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C32 H28 Ag3 Mo12 N4 O42 P'
_chemical_formula_sum            'C32 H28 Ag3 Mo12 N4 O42 P'
_chemical_formula_weight         2646.44
_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'
Ag Ag -0.8971 1.1015 '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                   11.299(4)
_cell_length_b                   11.385(5)
_cell_length_c                   13.084(5)
_cell_angle_alpha                102.717(6)
_cell_angle_beta                 98.844(7)
_cell_angle_gamma                109.533(7)
_cell_volume                     1499.3(10)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    2143
_cell_measurement_temperature    296
_cell_measurement_theta_max      27.18
_cell_measurement_theta_min      2.18
_shelx_estimated_absorpt_T_max   0.622
_shelx_estimated_absorpt_T_min   0.527
_exptl_absorpt_coefficient_mu    3.503
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    2.931
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1244
_exptl_crystal_size_max          0.21
_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  0.0470
_diffrn_reflns_av_unetI/netI     0.0980
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9460
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.321
_diffrn_reflns_theta_min         1.974
_diffrn_ambient_temperature      296
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_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                4159
_reflns_number_total             6686
_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       'SMART (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT+ (Bruker, 1999)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         1.553
_refine_diff_density_min         -1.506
_refine_diff_density_rms         0.233
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.995
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     456
_refine_ls_number_reflns         6686
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.1096
_refine_ls_R_factor_gt           0.0608
_refine_ls_restrained_S_all      1.001
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0797P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1415
_refine_ls_wR_factor_ref         0.1680
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(O7) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3. Others
 Sof(O1WA)=Sof(H1WC)=Sof(H1WD)=1-FVAR(1)
 Sof(O1W)=Sof(H1WA)=Sof(H1WB)=FVAR(1)
 Fixed Sof: O1'(0.5) O1(0.5) O2'(0.5) O2(0.5)
4.a Riding coordinates:
 O1WA(H1WC,H1WD)
4.b Rotating group:
 O1W(H1WA,H1WB)
4.c Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C6(H6), C7(H7), C8(H8), C9(H9), C10(H10), C12(H12), C13(H13),
 C14(H14), C15(H15), C16(H16)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_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
P1 P 0.5000 0.5000 -1.0000 0.0242(7) Uani 1 2 d S T P . .
Mo1 Mo 0.22395(10) 0.22947(10) -1.17889(7) 0.0393(3) Uani 1 1 d . . . . .
Mo2 Mo 0.20752(10) 0.38975(10) -0.91460(7) 0.0388(3) Uani 1 1 d . . . . .
Mo3 Mo 0.60186(10) 0.80761(9) -1.05852(7) 0.0364(2) Uani 1 1 d . . . . .
Mo4 Mo 0.53043(9) 0.31399(9) -1.24914(7) 0.0349(2) Uani 1 1 d . . . . .
Mo5 Mo 0.35280(9) 0.52441(9) -1.25394(7) 0.0324(2) Uani 1 1 d . . . . .
Mo6 Mo 0.28995(9) 0.67537(9) -1.00653(7) 0.0311(2) Uani 1 1 d . . . . .
O1' O 0.5645(12) 0.5684(12) -0.8807(9) 0.024(3) Uani 0.5 1 d . . . . .
O1 O 0.3758(12) 0.3733(11) -1.0065(10) 0.025(3) Uani 0.5 1 d . . . . .
O2' O 0.4500(13) 0.5835(14) -1.0553(10) 0.030(3) Uani 0.5 1 d . . . . .
O2 O 0.5905(13) 0.4500(12) -1.0572(9) 0.025(3) Uani 0.5 1 d . . . . .
O3 O 0.7050(12) 0.8507(13) -0.9227(7) 0.100(5) Uani 1 1 d . . . . .
O4 O 0.1971(8) 0.7645(8) -1.0053(7) 0.059(2) Uani 1 1 d . . . . .
O5 O 0.0997(8) 0.0993(8) -1.2611(7) 0.050(2) Uani 1 1 d . . . . .
O6 O 0.7229(12) 0.7299(13) -1.1106(6) 0.095(5) Uani 1 1 d . . . . .
O7 O 0.1505(12) 0.2864(11) -1.0711(7) 0.083(3) Uani 1 1 d . U . . .
O8 O 0.6866(9) 0.4769(9) -1.2071(7) 0.073(3) Uani 1 1 d . . . . .
O9 O 0.4541(9) 0.8040(9) -1.0151(7) 0.068(3) Uani 1 1 d . . . . .
O10 O 0.2746(9) 0.5346(10) -1.3690(6) 0.063(3) Uani 1 1 d . . . . .
O11 O 0.3839(9) 0.7387(9) -0.8507(7) 0.071(3) Uani 1 1 d . . . . .
O12 O 0.3699(9) 0.2142(8) -1.2430(9) 0.069(3) Uani 1 1 d . . . . .
O13 O 0.0655(8) 0.3380(8) -0.8808(7) 0.053(2) Uani 1 1 d . . . . .
O14 O 0.1872(9) 0.5279(8) -0.9783(6) 0.066(3) Uani 1 1 d . . . . .
O15 O 0.6529(9) 0.9461(7) -1.0939(6) 0.049(2) Uani 1 1 d . . . . .
O16 O 0.4503(9) 0.4316(8) -1.2960(10) 0.073(3) Uani 1 1 d . . . . .
O17 O 0.5491(11) 0.2354(9) -1.3644(6) 0.065(3) Uani 1 1 d . . . . .
O18 O 0.2275(9) 0.3592(9) -1.2428(10) 0.073(3) Uani 1 1 d . . . . .
O19 O 0.4892(9) 0.6843(8) -1.2007(7) 0.063(3) Uani 1 1 d . . . . .
O20 O 0.2633(9) 0.5970(8) -1.1513(7) 0.063(3) Uani 1 1 d . . . . .
Ag1 Ag 0.13532(14) 0.89534(13) -0.86076(9) 0.0762(4) Uani 1 1 d . . . . .
Ag2 Ag 0.0000 0.5000 -0.5000 0.0704(5) Uani 1 2 d S T P . .
C1 C 0.0234(13) 0.5618(13) -0.7137(9) 0.048(3) Uani 1 1 d . . . . .
H1 H -0.0259 0.4730 -0.7414 0.057 Uiso 1 1 calc R . . . .
C2 C 0.0561(11) 0.6359(12) -0.7835(9) 0.042(3) Uani 1 1 d . . . . .
H2 H 0.0330 0.5945 -0.8574 0.050 Uiso 1 1 calc R . . . .
C3 C 0.1294(11) 0.7475(11) -0.5674(8) 0.036(3) Uani 1 1 d . . . . .
C4 C 0.1572(11) 0.8252(11) -0.6384(8) 0.036(2) Uani 1 1 d . . . . .
C5 C 0.2191(11) 0.9699(11) -0.6044(8) 0.039(3) Uani 1 1 d . . . . .
C6 C 0.1747(11) 1.0436(11) -0.5311(9) 0.043(3) Uani 1 1 d . . . . .
H6 H 0.1127 1.0028 -0.4976 0.052 Uiso 1 1 calc R . . . .
C7 C 0.2239(15) 1.1777(14) -0.5087(11) 0.066(4) Uani 1 1 d . . . . .
H7 H 0.1938 1.2259 -0.4597 0.079 Uiso 1 1 calc R . . . .
C8 C 0.3154(16) 1.2423(13) -0.5561(12) 0.072(5) Uani 1 1 d . . . . .
H8 H 0.3442 1.3323 -0.5425 0.087 Uiso 1 1 calc R . . . .
C9 C 0.3638(18) 1.1687(15) -0.6254(11) 0.078(5) Uani 1 1 d . . . . .
H9 H 0.4295 1.2105 -0.6553 0.093 Uiso 1 1 calc R . . . .
C10 C 0.3152(15) 1.0347(14) -0.6501(10) 0.067(4) Uani 1 1 d . . . . .
H10 H 0.3470 0.9870 -0.6979 0.081 Uiso 1 1 calc R . . . .
C11 C 0.1776(12) 0.8005(11) -0.4475(9) 0.040(3) Uani 1 1 d . . . . .
C12 C 0.0906(15) 0.7735(12) -0.3804(10) 0.053(3) Uani 1 1 d . . . . .
H12 H 0.0020 0.7294 -0.4104 0.064 Uiso 1 1 calc R . . . .
C13 C 0.1405(18) 0.8145(14) -0.2688(11) 0.066(4) Uani 1 1 d . . . . .
H13 H 0.0844 0.7986 -0.2239 0.079 Uiso 1 1 calc R . . . .
C14 C 0.271(2) 0.8777(14) -0.2244(11) 0.081(6) Uani 1 1 d . . . . .
H14 H 0.3022 0.8994 -0.1499 0.097 Uiso 1 1 calc R . . . .
C15 C 0.3559(18) 0.9096(15) -0.2866(11) 0.073(5) Uani 1 1 d . . . . .
H15 H 0.4436 0.9581 -0.2551 0.087 Uiso 1 1 calc R . . . .
C16 C 0.3068(15) 0.8667(14) -0.4017(11) 0.062(4) Uani 1 1 d . . . . .
H16 H 0.3639 0.8843 -0.4456 0.074 Uiso 1 1 calc R . . . .
N1 N 0.1211(10) 0.7672(10) -0.7472(7) 0.043(2) Uani 1 1 d . . . . .
N2 N 0.0620(9) 0.6172(9) -0.6071(7) 0.039(2) Uani 1 1 d . . . . .
O1W O 0.084(3) 1.080(3) -0.826(4) 0.098(14) Uani 0.51(4) 1 d . . . A 1
H1WA H 0.0308 1.0747 -0.7847 0.148 Uiso 0.51(4) 1 d GR . . A 1
H1WB H 0.0668 1.1181 -0.8741 0.148 Uiso 0.51(4) 1 d GR . . A 1
O1WA O 0.036(3) 1.008(3) -0.945(4) 0.12(2) Uani 0.49(4) 1 d . . . A -2
H1WC H -0.0211 1.0432 -0.9311 0.177 Uiso 0.49(4) 1 d R . . A -2
H1WD H 0.1006 1.0447 -0.9485 0.177 Uiso 0.49(4) 1 d R . . A -2


_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
P1 O1' 1.520(12) . ?
P1 O1' 1.520(12) 2_663 ?
P1 O1 1.616(11) . ?
P1 O1 1.616(11) 2_663 ?
P1 O2' 1.511(13) . ?
P1 O2' 1.511(13) 2_663 ?
P1 O2 1.538(12) 2_663 ?
P1 O2 1.538(12) . ?
Mo1 O1 2.454(12) . ?
Mo1 O3 1.986(10) 2_663 ?
Mo1 O5 1.664(8) . ?
Mo1 O7 1.848(9) . ?
Mo1 O12 2.001(8) . ?
Mo1 O18 1.843(10) . ?
Mo2 O1 2.437(12) . ?
Mo2 O6 1.848(9) 2_663 ?
Mo2 O7 2.005(9) . ?
Mo2 O8 1.846(9) 2_663 ?
Mo2 O13 1.679(7) . ?
Mo2 O14 1.995(9) . ?
Mo3 O1 2.466(13) 2_663 ?
Mo3 O3 1.831(9) . ?
Mo3 O6 1.987(9) . ?
Mo3 O9 1.835(9) . ?
Mo3 O15 1.682(8) . ?
Mo3 O19 1.995(9) . ?
Mo4 O1' 2.519(11) 2_663 ?
Mo4 O2 2.495(11) . ?
Mo4 O8 1.980(8) . ?
Mo4 O11 1.829(9) 2_663 ?
Mo4 O12 1.815(8) . ?
Mo4 O16 1.998(10) . ?
Mo4 O17 1.658(8) . ?
Mo5 O1' 2.463(13) 2_663 ?
Mo5 O2' 2.504(13) . ?
Mo5 O10 1.673(8) . ?
Mo5 O16 1.828(9) . ?
Mo5 O18 1.992(9) . ?
Mo5 O19 1.847(8) . ?
Mo5 O20 1.999(8) . ?
Mo6 O2' 2.470(13) . ?
Mo6 O2 2.455(13) 2_663 ?
Mo6 O4 1.686(8) . ?
Mo6 O9 1.979(8) . ?
Mo6 O11 1.995(8) . ?
Mo6 O14 1.845(8) . ?
Mo6 O20 1.838(8) . ?
O1' Mo4 2.519(11) 2_663 ?
O1' Mo5 2.463(13) 2_663 ?
O1' O2' 1.688(19) 2_663 ?
O1' O2 1.736(19) 2_663 ?
O1 Mo3 2.466(13) 2_663 ?
O2' O1' 1.688(19) 2_663 ?
O2' O2 1.692(16) 2_663 ?
O2 Mo6 2.455(13) 2_663 ?
O2 O1' 1.736(19) 2_663 ?
O2 O2' 1.692(16) 2_663 ?
O3 Mo1 1.986(10) 2_663 ?
O4 Ag1 2.478(8) . ?
O6 Mo2 1.848(9) 2_663 ?
O8 Mo2 1.846(9) 2_663 ?
O11 Mo4 1.829(9) 2_663 ?
Ag1 N1 2.288(9) . ?
Ag1 O1W 2.33(2) . ?
Ag1 O1WA 2.31(3) . ?
Ag2 N2 2.176(9) 2_564 ?
Ag2 N2 2.176(9) . ?
C1 C2 1.383(16) . ?
C1 N2 1.333(14) . ?
C2 N1 1.359(15) . ?
C3 C4 1.418(14) . ?
C3 C11 1.491(14) . ?
C3 N2 1.354(14) . ?
C4 C5 1.487(15) . ?
C4 N1 1.363(13) . ?
C5 C6 1.396(15) . ?
C5 C10 1.392(15) . ?
C6 C7 1.382(17) . ?
C7 C8 1.37(2) . ?
C8 C9 1.40(2) . ?
C9 C10 1.38(2) . ?
C11 C12 1.418(15) . ?
C11 C16 1.363(18) . ?
C12 C13 1.393(18) . ?
C13 C14 1.37(2) . ?
C14 C15 1.36(2) . ?
C15 C16 1.432(18) . ?

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
O1' P1 O1' 180.0(10) . 2_663 ?
O1' P1 O1 106.7(6) . . ?
O1' P1 O1 73.3(6) 2_663 . ?
O1' P1 O1 106.7(6) 2_663 2_663 ?
O1' P1 O1 73.3(6) . 2_663 ?
O1' P1 O2 69.1(7) . 2_663 ?
O1' P1 O2 110.9(7) 2_663 2_663 ?
O1' P1 O2 69.1(7) 2_663 . ?
O1' P1 O2 110.9(7) . . ?
O1 P1 O1 180.0 2_663 . ?
O2' P1 O1' 67.7(7) . 2_663 ?
O2' P1 O1' 67.7(7) 2_663 . ?
O2' P1 O1' 112.3(7) 2_663 2_663 ?
O2' P1 O1' 112.3(7) . . ?
O2' P1 O1 72.8(7) 2_663 . ?
O2' P1 O1 107.2(7) . . ?
O2' P1 O1 72.8(7) . 2_663 ?
O2' P1 O1 107.2(7) 2_663 2_663 ?
O2' P1 O2' 180.0(9) . 2_663 ?
O2' P1 O2 112.6(6) 2_663 2_663 ?
O2' P1 O2 67.4(6) . 2_663 ?
O2' P1 O2 67.4(6) 2_663 . ?
O2' P1 O2 112.6(6) . . ?
O2 P1 O1 73.2(6) 2_663 . ?
O2 P1 O1 73.2(6) . 2_663 ?
O2 P1 O1 106.8(6) 2_663 2_663 ?
O2 P1 O1 106.8(6) . . ?
O2 P1 O2 180.0 2_663 . ?
O3 Mo1 O1 61.7(5) 2_663 . ?
O3 Mo1 O12 81.8(4) 2_663 . ?
O5 Mo1 O1 156.7(4) . . ?
O5 Mo1 O3 100.4(5) . 2_663 ?
O5 Mo1 O7 102.0(5) . . ?
O5 Mo1 O12 101.2(4) . . ?
O5 Mo1 O18 103.8(5) . . ?
O7 Mo1 O1 64.0(4) . . ?
O7 Mo1 O3 85.6(4) . 2_663 ?
O7 Mo1 O12 155.3(5) . . ?
O12 Mo1 O1 91.3(4) . . ?
O18 Mo1 O1 96.3(5) . . ?
O18 Mo1 O3 155.1(6) . 2_663 ?
O18 Mo1 O7 95.2(5) . . ?
O18 Mo1 O12 87.6(4) . . ?
O6 Mo2 O1 64.1(5) 2_663 . ?
O6 Mo2 O7 87.1(4) 2_663 . ?
O6 Mo2 O14 155.9(5) 2_663 . ?
O7 Mo2 O1 62.6(4) . . ?
O8 Mo2 O1 97.5(5) 2_663 . ?
O8 Mo2 O6 95.8(5) 2_663 2_663 ?
O8 Mo2 O7 156.3(5) 2_663 . ?
O8 Mo2 O14 86.7(4) 2_663 . ?
O13 Mo2 O1 156.9(4) . . ?
O13 Mo2 O6 102.8(5) . 2_663 ?
O13 Mo2 O7 99.4(5) . . ?
O13 Mo2 O8 102.9(5) . 2_663 ?
O13 Mo2 O14 99.9(4) . . ?
O14 Mo2 O1 91.9(4) . . ?
O14 Mo2 O7 81.5(4) . . ?
O3 Mo3 O1 63.0(5) . 2_663 ?
O3 Mo3 O6 86.3(4) . . ?
O3 Mo3 O9 96.1(5) . . ?
O3 Mo3 O19 154.3(5) . . ?
O6 Mo3 O1 61.9(4) . 2_663 ?
O6 Mo3 O19 79.5(4) . . ?
O9 Mo3 O1 96.8(4) . 2_663 ?
O9 Mo3 O6 154.8(5) . . ?
O9 Mo3 O19 88.2(4) . . ?
O15 Mo3 O1 156.2(4) . 2_663 ?
O15 Mo3 O3 103.6(6) . . ?
O15 Mo3 O6 99.2(5) . . ?
O15 Mo3 O9 104.5(4) . . ?
O15 Mo3 O19 99.7(4) . . ?
O19 Mo3 O1 91.3(4) . 2_663 ?
O2 Mo4 O1' 40.5(4) . 2_663 ?
O8 Mo4 O1' 88.0(5) . 2_663 ?
O8 Mo4 O2 64.0(4) . . ?
O8 Mo4 O16 80.5(4) . . ?
O11 Mo4 O1' 95.8(5) 2_663 2_663 ?
O11 Mo4 O2 63.7(5) 2_663 . ?
O11 Mo4 O8 87.3(4) 2_663 . ?
O11 Mo4 O16 154.1(5) 2_663 . ?
O12 Mo4 O1' 66.1(4) . 2_663 ?
O12 Mo4 O2 93.8(5) . . ?
O12 Mo4 O8 154.1(5) . . ?
O12 Mo4 O11 94.8(4) . 2_663 ?
O12 Mo4 O16 86.8(4) . . ?
O16 Mo4 O1' 61.2(4) . 2_663 ?
O16 Mo4 O2 90.4(5) . . ?
O17 Mo4 O1' 160.0(5) . 2_663 ?
O17 Mo4 O2 158.6(5) . . ?
O17 Mo4 O8 100.6(5) . . ?
O17 Mo4 O11 102.5(5) . 2_663 ?
O17 Mo4 O12 104.1(5) . . ?
O17 Mo4 O16 102.1(5) . . ?
O1' Mo5 O2' 39.7(4) 2_663 . ?
O10 Mo5 O1' 160.7(5) . 2_663 ?
O10 Mo5 O2' 158.1(5) . . ?
O10 Mo5 O16 104.7(5) . . ?
O10 Mo5 O18 100.8(5) . . ?
O10 Mo5 O19 102.8(5) . . ?
O10 Mo5 O20 99.6(4) . . ?
O16 Mo5 O1' 64.2(4) . 2_663 ?
O16 Mo5 O2' 95.7(5) . . ?
O16 Mo5 O18 86.8(4) . . ?
O16 Mo5 O19 95.8(4) . . ?
O16 Mo5 O20 154.2(5) . . ?
O18 Mo5 O1' 64.2(4) . 2_663 ?
O18 Mo5 O2' 88.1(5) . . ?
O18 Mo5 O20 80.3(4) . . ?
O19 Mo5 O1' 94.3(5) . 2_663 ?
O19 Mo5 O2' 66.6(4) . . ?
O19 Mo5 O18 154.8(5) . . ?
O19 Mo5 O20 87.0(3) . . ?
O20 Mo5 O1' 90.0(4) . 2_663 ?
O20 Mo5 O2' 61.8(4) . . ?
O2 Mo6 O2' 40.2(4) 2_663 . ?
O4 Mo6 O2' 160.0(4) . . ?
O4 Mo6 O2 159.0(4) . 2_663 ?
O4 Mo6 O9 100.0(5) . . ?
O4 Mo6 O11 100.1(5) . . ?
O4 Mo6 O14 102.8(5) . . ?
O4 Mo6 O20 103.2(5) . . ?
O9 Mo6 O2' 65.2(4) . . ?
O9 Mo6 O2 89.7(4) . 2_663 ?
O9 Mo6 O11 80.9(4) . . ?
O11 Mo6 O2' 91.1(5) . . ?
O11 Mo6 O2 62.8(4) . 2_663 ?
O14 Mo6 O2' 94.2(5) . . ?
O14 Mo6 O2 66.1(4) . 2_663 ?
O14 Mo6 O9 155.7(5) . . ?
O14 Mo6 O11 87.1(3) . . ?
O20 Mo6 O2' 64.3(4) . . ?
O20 Mo6 O2 95.8(4) . 2_663 ?
O20 Mo6 O9 87.3(3) . . ?
O20 Mo6 O11 155.4(5) . . ?
O20 Mo6 O14 95.3(4) . . ?
P1 O1' Mo4 124.8(7) . 2_663 ?
P1 O1' Mo5 127.1(7) . 2_663 ?
P1 O1' O2' 55.9(6) . 2_663 ?
P1 O1' O2 55.9(6) . 2_663 ?
Mo5 O1' Mo4 92.8(4) 2_663 2_663 ?
O2' O1' Mo4 141.1(7) 2_663 2_663 ?
O2' O1' Mo5 71.4(6) 2_663 2_663 ?
O2' O1' O2 95.6(9) 2_663 2_663 ?
O2 O1' Mo4 69.0(5) 2_663 2_663 ?
O2 O1' Mo5 133.0(7) 2_663 2_663 ?
P1 O1 Mo1 122.1(6) . . ?
P1 O1 Mo2 122.0(6) . . ?
P1 O1 Mo3 122.1(7) . 2_663 ?
Mo1 O1 Mo3 94.0(4) . 2_663 ?
Mo2 O1 Mo1 94.8(4) . . ?
Mo2 O1 Mo3 94.4(4) . 2_663 ?
P1 O2' Mo5 125.1(8) . . ?
P1 O2' Mo6 126.4(6) . . ?
P1 O2' O1' 56.4(6) . 2_663 ?
P1 O2' O2 57.1(6) . 2_663 ?
Mo6 O2' Mo5 93.0(4) . . ?
O1' O2' Mo5 68.8(6) 2_663 . ?
O1' O2' Mo6 132.5(8) 2_663 . ?
O1' O2' O2 96.3(8) 2_663 2_663 ?
O2 O2' Mo5 140.0(8) 2_663 . ?
O2 O2' Mo6 69.4(6) 2_663 . ?
P1 O2 Mo4 125.2(7) . . ?
P1 O2 Mo6 125.8(6) . 2_663 ?
P1 O2 O1' 54.9(6) . 2_663 ?
P1 O2 O2' 55.5(6) . 2_663 ?
Mo6 O2 Mo4 93.0(4) 2_663 . ?
O1' O2 Mo4 70.5(5) 2_663 . ?
O1' O2 Mo6 140.9(8) 2_663 2_663 ?
O2' O2 Mo4 132.5(8) 2_663 . ?
O2' O2 Mo6 70.4(6) 2_663 2_663 ?
O2' O2 O1' 94.5(8) 2_663 2_663 ?
Mo3 O3 Mo1 141.1(7) . 2_663 ?
Mo6 O4 Ag1 134.2(5) . . ?
Mo2 O6 Mo3 139.3(6) 2_663 . ?
Mo1 O7 Mo2 138.3(6) . . ?
Mo2 O8 Mo4 140.0(5) 2_663 . ?
Mo3 O9 Mo6 139.3(5) . . ?
Mo4 O11 Mo6 139.7(6) 2_663 . ?
Mo4 O12 Mo1 140.5(5) . . ?
Mo6 O14 Mo2 138.9(6) . . ?
Mo5 O16 Mo4 141.1(6) . . ?
Mo1 O18 Mo5 139.9(6) . . ?
Mo5 O19 Mo3 138.9(5) . . ?
Mo6 O20 Mo5 140.1(6) . . ?
N1 Ag1 O4 98.3(3) . . ?
N1 Ag1 O1W 122.7(9) . . ?
N1 Ag1 O1WA 145.6(8) . . ?
O1W Ag1 O4 138.9(9) . . ?
O1WA Ag1 O4 105.3(12) . . ?
N2 Ag2 N2 180.0 2_564 . ?
N2 C1 C2 120.4(12) . . ?
N1 C2 C1 122.0(10) . . ?
C4 C3 C11 123.2(10) . . ?
N2 C3 C4 120.5(9) . . ?
N2 C3 C11 116.2(9) . . ?
C3 C4 C5 125.1(9) . . ?
N1 C4 C3 119.5(10) . . ?
N1 C4 C5 115.3(9) . . ?
C6 C5 C4 120.0(9) . . ?
C10 C5 C4 121.2(10) . . ?
C10 C5 C6 118.7(11) . . ?
C7 C6 C5 119.4(12) . . ?
C8 C7 C6 122.5(14) . . ?
C7 C8 C9 117.9(13) . . ?
C10 C9 C8 120.7(14) . . ?
C9 C10 C5 120.8(14) . . ?
C12 C11 C3 120.2(11) . . ?
C16 C11 C3 120.0(10) . . ?
C16 C11 C12 119.6(12) . . ?
C13 C12 C11 118.7(14) . . ?
C14 C13 C12 120.9(13) . . ?
C15 C14 C13 121.6(13) . . ?
C14 C15 C16 118.3(16) . . ?
C11 C16 C15 120.8(14) . . ?
C2 N1 Ag1 122.0(7) . . ?
C2 N1 C4 118.0(9) . . ?
C4 N1 Ag1 118.8(8) . . ?
C1 N2 Ag2 119.4(8) . . ?
C1 N2 C3 119.5(9) . . ?
C3 N2 Ag2 120.9(6) . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'




####################################################################### 
# 
# 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_compound-2
_database_code_depnum_ccdc_archive 'CCDC 1481870'
_audit_update_record             
;
2016-07-12 deposited with the CCDC.
2016-07-28 downloaded from the CCDC.
;
_audit_creation_date             2016-07-05
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C80 H60 Mo16 N10 O40 Si'
_chemical_formula_sum            'C80 H60 Mo16 N10 O40 Si'
_chemical_formula_weight         3364.51
_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 0.0030 0.0020 '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 -1.6830 0.6860 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0820 0.0700 '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                   17.9317(8)
_cell_length_b                   18.5613(9)
_cell_length_c                   20.1606(10)
_cell_angle_alpha                111.8830(10)
_cell_angle_beta                 94.9400(10)
_cell_angle_gamma                107.6620(10)
_cell_volume                     5780.6(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4886
_cell_measurement_temperature    293
_cell_measurement_theta_max      25.05
_cell_measurement_theta_min      2.27
_shelx_estimated_absorpt_T_max   0.817
_shelx_estimated_absorpt_T_min   0.743
_exptl_absorpt_coefficient_mu    1.756
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.933
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3231
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0409
_diffrn_reflns_av_unetI/netI     0.0825
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            33695
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.027
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_min         1.407
_diffrn_ambient_temperature      293.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_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                12696
_reflns_number_total             20402
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SMART (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT+ (Bruker, 1999)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         2.008
_refine_diff_density_min         -1.068
_refine_diff_density_rms         0.157
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1324
_refine_ls_number_reflns         20402
_refine_ls_number_restraints     1899
_refine_ls_R_factor_all          0.1015
_refine_ls_R_factor_gt           0.0582
_refine_ls_restrained_S_all      0.996
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0897P)²+1.8562P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1550
_refine_ls_wR_factor_ref         0.1771
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
3.a Aromatic/amide H refined with riding coordinates:
 C8(H8), C51(H51), C50(H50), C67(H67), C1AA(H1AA), C22(H22), C75(H75),
 C69(H69), C79(H79), C70(H70), C37(H37), C66(H66), C5AA(H5AA), C73(H73),
 C45(H45), C76(H76), C71(H71), C49(H49), C78(H78), C29(H29), C6AA(H6AA),
 C46(H46), C59(H59), C36(H36), C16(H16), C10(H10), C48(H48), C63(H63), C72(H72),
  C77(H77), C4AA(H4AA), C39(H39), C24(H24), C11(H11), C43(H43), C53(H53),
 C42(H42), C2AA(H2AA), C41(H41), C30(H30), C57(H57), C14(H14), C47(H47),
 C40(H40), C61(H61), C27(H27), C19(H19), C60(H60), C32(H32), C25(H25), C31(H31),
  C62(H62), C3AA(H3AA), C54(H54), C13(H13), C17(H17), C55(H55), C56(H56),
 C2(H2), C7(H7)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
Mo9 Mo 1.18589(5) 0.06034(5) 0.34342(5) 0.0367(2) Uani 1 1 d . U . . .
Mo10 Mo 1.13785(5) 0.08199(5) 0.18918(5) 0.0358(2) Uani 1 1 d . U . . .
Mo6 Mo 1.04680(5) 0.38129(5) 0.35457(5) 0.0377(2) Uani 1 1 d . U . . .
Mo8 Mo 1.30081(5) 0.22425(5) 0.31888(5) 0.0375(2) Uani 1 1 d . U . . .
Mo1 Mo 1.10106(5) 0.35780(5) 0.52436(5) 0.0374(2) Uani 1 1 d . U . . .
Mo11 Mo 1.05426(6) 0.24383(5) 0.19401(5) 0.0401(2) Uani 1 1 d . U . . .
Mo5 Mo 0.91587(5) 0.20170(5) 0.38317(5) 0.0394(2) Uani 1 1 d . U . . .
Mo13 Mo 0.94532(5) 0.37346(6) 0.61969(5) 0.0446(3) Uani 1 1 d . U . . .
Mo12 Mo 0.93506(5) 0.06564(5) 0.22847(5) 0.0423(2) Uani 1 1 d . U . . .
Mo7 Mo 1.22473(5) 0.38834(5) 0.31417(6) 0.0424(2) Uani 1 1 d . U . . .
Mo16 Mo 0.99436(7) 0.10314(5) 0.79062(5) 0.0496(3) Uani 1 1 d . U . . .
Mo4 Mo 0.98927(6) 0.05887(5) 0.38987(6) 0.0434(2) Uani 1 1 d . U . . .
Mo2 Mo 1.28364(5) 0.37795(6) 0.49118(5) 0.0430(2) Uani 1 1 d . U . . .
Mo15 Mo 0.26733(5) 0.26568(7) 0.14782(5) 0.0518(3) Uani 1 1 d . U . . .
Mo14 Mo 0.67096(5) 0.36991(7) 0.33645(6) 0.0508(3) Uani 1 1 d . U . . .
Mo3 Mo 1.17800(6) 0.21421(6) 0.52098(5) 0.0439(2) Uani 1 1 d . U . . .
Si1 Si 1.11235(14) 0.22151(14) 0.35420(13) 0.0242(5) Uani 1 1 d . U . . .
O6 O 1.0214(4) 0.1607(3) 0.3435(3) 0.0346(14) Uani 1 1 d . U . . .
O21 O 1.1126(4) 0.1679(4) 0.1756(3) 0.0389(15) Uani 1 1 d . U . . .
O10 O 1.1100(3) 0.2855(3) 0.3174(3) 0.0303(13) Uani 1 1 d . U . . .
O1 O 1.1533(3) 0.2739(3) 0.4417(3) 0.0295(13) Uani 1 1 d . U . . .
O13 O 1.2716(4) 0.3021(4) 0.2910(4) 0.0370(15) Uani 1 1 d . U . . .
O22 O 1.0176(4) 0.3282(4) 0.2488(4) 0.0392(15) Uani 1 1 d . U . . .
O20 O 1.2473(4) 0.1419(4) 0.2140(3) 0.0377(15) Uani 1 1 d . U . . .
O12 O 1.1505(4) 0.4427(4) 0.3454(4) 0.0388(15) Uani 1 1 d . U . . .
O2 O 1.2182(4) 0.4246(4) 0.5460(4) 0.0393(15) Uani 1 1 d . U . . .
O17 O 1.0746(4) 0.0299(4) 0.3481(4) 0.0414(15) Uani 1 1 d . U . . .
O34 O 1.0032(4) 0.4527(4) 0.3695(4) 0.0413(16) Uani 1 1 d . U . . .
O25 O 0.8719(4) 0.1244(4) 0.2862(4) 0.0465(17) Uani 1 1 d . U . . .
O24 O 0.9716(4) 0.1601(4) 0.2029(4) 0.0403(15) Uani 1 1 d . U . . .
O16 O 1.2045(4) 0.1400(4) 0.4428(3) 0.0379(15) Uani 1 1 d . U . . .
O19 O 1.1522(4) 0.0118(4) 0.2377(3) 0.0393(15) Uani 1 1 d . U . . .
O23 O 1.1607(4) 0.3322(4) 0.2174(4) 0.0459(16) Uani 1 1 d . U . . .
O26 O 0.9263(4) 0.0058(4) 0.2875(4) 0.0452(16) Uani 1 1 d . U . . .
O5 O 1.0670(4) 0.1378(4) 0.4737(4) 0.0416(15) Uani 1 1 d . U . . .
O15 O 1.1653(3) 0.1665(3) 0.3150(3) 0.0299(13) Uani 1 1 d . U . . .
O27 O 1.0255(4) 0.0447(4) 0.2005(3) 0.0387(15) Uani 1 1 d . U . . .
O9 O 1.0903(4) 0.4011(4) 0.4510(4) 0.0361(14) Uani 1 1 d . U . . .
O18 O 1.2877(4) 0.1255(4) 0.3374(3) 0.0372(15) Uani 1 1 d . U . . .
O14 O 1.3123(4) 0.2923(4) 0.4158(3) 0.0381(15) Uani 1 1 d . U . . .
O11 O 1.2611(4) 0.4089(4) 0.4157(4) 0.0387(15) Uani 1 1 d . U . . .
O4 O 1.1314(4) 0.2966(4) 0.5712(3) 0.0379(15) Uani 1 1 d . U . . .
O8 O 0.9602(4) 0.2905(4) 0.3552(4) 0.0371(15) Uani 1 1 d . U . . .
O30 O 1.1248(4) 0.0149(4) 0.1010(4) 0.0481(18) Uani 1 1 d . U . . .
O35 O 0.9153(4) 0.1163(4) 0.4143(4) 0.0426(16) Uani 1 1 d . U . . .
O7 O 1.0004(4) 0.2789(4) 0.4765(4) 0.0398(15) Uani 1 1 d . U . . .
O32 O 1.3950(4) 0.2449(4) 0.3079(4) 0.0454(17) Uani 1 1 d . U . . .
O29 O 1.0219(5) 0.2319(4) 0.1083(4) 0.0552(19) Uani 1 1 d . U . . .
O40 O 1.0815(4) 0.4282(4) 0.5961(4) 0.0431(16) Uani 1 1 d . U . . .
O31 O 1.2082(4) -0.0173(4) 0.3533(4) 0.0494(18) Uani 1 1 d . U . . .
O3 O 1.2742(4) 0.3037(4) 0.5413(4) 0.0436(16) Uani 1 1 d . U . . .
O36 O 0.8346(4) 0.2197(4) 0.4101(4) 0.0505(18) Uani 1 1 d . U . . .
O28 O 0.8614(4) -0.0036(4) 0.1539(4) 0.058(2) Uani 1 1 d . U . . .
O33 O 1.2981(4) 0.4644(4) 0.3064(4) 0.0516(19) Uani 1 1 d . U . . .
O37 O 0.9492(5) -0.0201(4) 0.4130(4) 0.059(2) Uani 1 1 d . U . . .
O39 O 1.3747(4) 0.4494(4) 0.5381(4) 0.055(2) Uani 1 1 d . U . . .
O38 O 1.1983(5) 0.1853(4) 0.5885(4) 0.0562(19) Uani 1 1 d . U . . .
N6 N 0.0809(5) 0.1518(5) -0.0972(4) 0.045(2) Uani 1 1 d . U . . .
N5 N 0.1795(5) 0.2148(5) 0.0388(5) 0.045(2) Uani 1 1 d . U . . .
N3 N 0.5491(5) 0.3467(5) 0.2756(5) 0.044(2) Uani 1 1 d . U . . .
N9 N 0.9687(5) 0.2871(5) 0.6662(5) 0.043(2) Uani 1 1 d . U . . .
N2 N 0.7551(5) 0.3796(5) 0.4304(5) 0.047(2) Uani 1 1 d . U . . .
N10 N 0.9630(6) 0.1741(5) 0.7250(5) 0.053(2) Uani 1 1 d . U . . .
N1 N 0.8634(5) 0.3758(5) 0.5347(4) 0.0371(18) Uani 1 1 d . U . . .
N4 N 0.4039(5) 0.3179(6) 0.1948(5) 0.052(2) Uani 1 1 d . U . . .
N7 N 0.7626(5) 0.3380(6) 0.2525(6) 0.062(2) Uani 1 1 d . U . . .
N8 N 0.8162(6) 0.2592(7) 0.1296(7) 0.080(3) Uani 1 1 d . U . . .
C6 C 0.1464(6) 0.2176(6) -0.0769(6) 0.041(2) Uani 1 1 d . U . . .
C74 C 0.9527(6) 0.3874(6) 0.7720(6) 0.043(2) Uani 1 1 d . U . . .
C5 C 0.1953(6) 0.2534(6) -0.0059(6) 0.044(2) Uani 1 1 d . U . . .
C8 C 0.1163(6) 0.1465(6) 0.0169(6) 0.044(2) Uani 1 1 d . U . . .
H8 H 0.1052 0.1192 0.0474 0.053 Uiso 1 1 calc R . . . .
C1 C 0.7841(6) 0.3431(6) 0.5288(5) 0.037(2) Uani 1 1 d . U . . .
C64 C 0.9603(6) 0.3044(6) 0.7342(6) 0.039(2) Uani 1 1 d . U . . .
C51 C 0.8885(6) 0.4100(5) 0.4879(5) 0.034(2) Uani 1 1 d . U . . .
H51 H 0.9431 0.4330 0.4906 0.041 Uiso 1 1 calc R . . . .
C50 C 0.8329(6) 0.4110(6) 0.4360(6) 0.046(3) Uani 1 1 d . U . . .
H50 H 0.8513 0.4345 0.4043 0.055 Uiso 1 1 calc R . . . .
C67 C 0.9736(7) 0.2131(7) 0.6259(6) 0.054(3) Uani 1 1 d . U . . .
H67 H 0.9798 0.2000 0.5780 0.064 Uiso 1 1 calc R . . . .
C58 C 0.7610(6) 0.3009(7) 0.5783(6) 0.048(2) Uani 1 1 d . U . . .
C1AA C 0.0654(7) 0.1144(6) -0.0517(6) 0.047(3) Uani 1 1 d . U . . .
H1AA H 0.0201 0.0664 -0.0662 0.056 Uiso 1 1 calc R . . . .
C22 C 0.5144(6) 0.4005(7) 0.2939(6) 0.051(3) Uani 1 1 d . U . . .
H22 H 0.5402 0.4506 0.3350 0.061 Uiso 1 1 calc R . . . .
C9 C 0.1618(7) 0.2495(6) -0.1335(6) 0.051(3) Uani 1 1 d . U . . .
C75 C 1.0068(7) 0.4572(6) 0.7696(6) 0.051(3) Uani 1 1 d . U . . .
H75 H 1.0505 0.4527 0.7490 0.061 Uiso 1 1 calc R . . . .
C69 C 0.9909(8) 0.3371(7) 0.9009(6) 0.062(3) Uani 1 1 d . U . . .
H69 H 1.0222 0.3821 0.8932 0.074 Uiso 1 1 calc R . . . .
C79 C 0.8885(7) 0.3950(7) 0.8047(6) 0.055(3) Uani 1 1 d . U . . .
H79 H 0.8526 0.3491 0.8081 0.067 Uiso 1 1 calc R . . . .
C15 C 0.2672(7) 0.3316(8) 0.0235(7) 0.064(3) Uani 1 1 d . U . . .
C70 C 0.9876(9) 0.3455(10) 0.9724(7) 0.081(4) Uani 1 1 d . U . . .
H70 H 1.0180 0.3954 1.0123 0.097 Uiso 1 1 calc R . . . .
C65 C 0.9565(7) 0.2477(6) 0.7650(6) 0.047(3) Uani 1 1 d . U . . .
C68 C 0.9474(7) 0.2613(6) 0.8412(6) 0.052(3) Uani 1 1 d . U . . .
C3 C 0.5116(6) 0.2750(6) 0.2143(6) 0.045(2) Uani 1 1 d . U . . .
C4 C 0.4373(6) 0.2612(7) 0.1714(6) 0.051(3) Uani 1 1 d . U . . .
C37 C 0.7991(7) 0.2841(9) 0.2499(9) 0.077(3) Uani 1 1 d . U . . .
H37 H 0.8068 0.2723 0.2904 0.093 Uiso 1 1 calc R . . . .
C0AA C 0.7302(6) 0.3458(6) 0.4782(6) 0.048(2) Uani 1 1 d . U . . .
C66 C 0.9693(8) 0.1560(7) 0.6564(6) 0.060(3) Uani 1 1 d . U . . .
H66 H 0.9708 0.1041 0.6277 0.073 Uiso 1 1 calc R . . . .
C44 C 0.7098(6) 0.4112(7) 0.1980(6) 0.050(2) Uani 1 1 d . U . . .
C34 C 0.7543(6) 0.3554(7) 0.1929(7) 0.055(2) Uani 1 1 d . U . . .
C5AA C 0.4405(6) 0.3865(7) 0.2549(6) 0.048(3) Uani 1 1 d . U . . .
H5AA H 0.4165 0.4259 0.2712 0.058 Uiso 1 1 calc R . . . .
C28 C 0.5509(6) 0.2115(7) 0.1975(7) 0.054(3) Uani 1 1 d . U . . .
C73 C 0.8958(8) 0.1945(7) 0.8539(7) 0.067(3) Uani 1 1 d . U . . .
H73 H 0.8637 0.1449 0.8145 0.080 Uiso 1 1 calc R . . . .
C45 C 0.7284(7) 0.4807(7) 0.2617(7) 0.059(3) Uani 1 1 d . U . . .
H45 H 0.7710 0.4936 0.2991 0.071 Uiso 1 1 calc R . . . .
C76 C 0.9976(8) 0.5327(7) 0.7968(7) 0.066(3) Uani 1 1 d . U . . .
H76 H 1.0337 0.5787 0.7935 0.079 Uiso 1 1 calc R . . . .
C7AA C 0.7807(7) 0.3148(8) 0.1298(7) 0.065(3) Uani 1 1 d . U . . .
C71 C 0.9397(10) 0.2804(10) 0.9828(8) 0.092(4) Uani 1 1 d . U . . .
H71 H 0.9372 0.2867 1.0304 0.110 Uiso 1 1 calc R . . . .
C49 C 0.6477(7) 0.3960(8) 0.1421(7) 0.061(3) Uani 1 1 d . U . . .
H49 H 0.6363 0.3504 0.0974 0.073 Uiso 1 1 calc R . . . .
C78 C 0.8783(8) 0.4692(7) 0.8314(7) 0.072(4) Uani 1 1 d . U . . .
H78 H 0.8341 0.4736 0.8515 0.086 Uiso 1 1 calc R . . . .
C29 C 0.5677(7) 0.1783(8) 0.1298(8) 0.071(3) Uani 1 1 d . U . . .
H29 H 0.5519 0.1915 0.0921 0.085 Uiso 1 1 calc R . . . .
C23 C 0.3906(7) 0.1851(10) 0.1052(8) 0.081(4) Uani 1 1 d . U . . .
C52 C 0.6397(7) 0.3104(9) 0.4690(7) 0.070(3) Uani 1 1 d . U . . .
C6AA C 0.5717(8) 0.1887(8) 0.2527(8) 0.073(3) Uani 1 1 d . U . . .
H6AA H 0.5581 0.2099 0.2977 0.088 Uiso 1 1 calc R . . . .
C46 C 0.6835(8) 0.5338(9) 0.2715(8) 0.072(3) Uani 1 1 d . U . . .
H46 H 0.6951 0.5806 0.3153 0.086 Uiso 1 1 calc R . . . .
C38 C 0.7767(8) 0.3339(9) 0.0664(8) 0.075(3) Uani 1 1 d . U . . .
C59 C 0.7760(7) 0.2308(7) 0.5686(8) 0.070(3) Uani 1 1 d . U . . .
H59 H 0.7994 0.2083 0.5304 0.084 Uiso 1 1 calc R . . . .
C36 C 0.8254(8) 0.2455(10) 0.1887(9) 0.087(4) Uani 1 1 d . U . . .
H36 H 0.8504 0.2085 0.1892 0.105 Uiso 1 1 calc R . . . .
C16 C 0.2731(9) 0.3946(8) 0.0907(9) 0.091(4) Uani 1 1 d . U . . .
H16 H 0.2322 0.3860 0.1155 0.110 Uiso 1 1 calc R . . . .
C10 C 0.1768(7) 0.3339(7) -0.1203(7) 0.064(3) Uani 1 1 d . U . . .
H10 H 0.1808 0.3726 -0.0734 0.077 Uiso 1 1 calc R . . . .
C48 C 0.6035(8) 0.4450(9) 0.1502(8) 0.079(4) Uani 1 1 d . U . . .
H48 H 0.5608 0.4321 0.1128 0.095 Uiso 1 1 calc R . . . .
C63 C 0.7234(9) 0.3324(10) 0.6330(8) 0.087(4) Uani 1 1 d . U . . .
H63 H 0.7110 0.3793 0.6388 0.104 Uiso 1 1 calc R . . . .
C72 C 0.8937(11) 0.2038(11) 0.9239(9) 0.102(5) Uani 1 1 d . U . . .
H72 H 0.8622 0.1597 0.9327 0.122 Uiso 1 1 calc R . . . .
C77 C 0.9338(9) 0.5392(8) 0.8290(8) 0.082(4) Uani 1 1 d . U . . .
H77 H 0.9277 0.5904 0.8493 0.098 Uiso 1 1 calc R . . . .
C4AA C 0.3301(8) 0.3423(10) -0.0131(9) 0.090(4) Uani 1 1 d . U . . .
H4AA H 0.3275 0.2991 -0.0569 0.108 Uiso 1 1 calc R . . . .
C39 C 0.8079(9) 0.4130(10) 0.0692(9) 0.095(4) Uani 1 1 d . U . . .
H39 H 0.8355 0.4579 0.1139 0.114 Uiso 1 1 calc R . . . .
C24 C 0.3591(10) 0.1083(10) 0.1136(10) 0.114(5) Uani 1 1 d . U . . .
H24 H 0.3723 0.1096 0.1597 0.137 Uiso 1 1 calc R . . . .
C11 C 0.1854(9) 0.3587(9) -0.1771(8) 0.094(5) Uani 1 1 d . U . . .
H11 H 0.1944 0.4139 -0.1682 0.113 Uiso 1 1 calc R . . . .
C43 C 0.7419(10) 0.2693(11) -0.0035(9) 0.102(5) Uani 1 1 d . U . . .
H43 H 0.7216 0.2146 -0.0088 0.122 Uiso 1 1 calc R . . . .
C53 C 0.6009(8) 0.2281(9) 0.4518(8) 0.093(4) Uani 1 1 d . U . . .
H53 H 0.6299 0.1929 0.4431 0.112 Uiso 1 1 calc R . . . .
C42 C 0.7372(12) 0.2851(12) -0.0642(10) 0.121(6) Uani 1 1 d . U . . .
H42 H 0.7146 0.2407 -0.1101 0.145 Uiso 1 1 calc R . . . .
C2AA C 0.1808(11) 0.3043(10) -0.2437(9) 0.122(6) Uani 1 1 d . U . . .
H2AA H 0.1843 0.3209 -0.2819 0.146 Uiso 1 1 calc R . . . .
C41 C 0.7642(11) 0.3633(12) -0.0593(10) 0.114(6) Uani 1 1 d . U . . .
H41 H 0.7590 0.3727 -0.1014 0.137 Uiso 1 1 calc R . . . .
C30 C 0.6099(10) 0.1235(10) 0.1196(10) 0.103(5) Uani 1 1 d . U . . .
H30 H 0.6223 0.1004 0.0744 0.123 Uiso 1 1 calc R . . . .
C57 C 0.5977(8) 0.3595(11) 0.4773(8) 0.087(4) Uani 1 1 d . U . . .
H57 H 0.6230 0.4154 0.4872 0.105 Uiso 1 1 calc R . . . .
C14 C 0.1630(10) 0.1992(8) -0.1993(7) 0.095(5) Uani 1 1 d . U . . .
H14 H 0.1586 0.1451 -0.2077 0.114 Uiso 1 1 calc R . . . .
C47 C 0.6235(9) 0.5143(9) 0.2153(8) 0.080(4) Uani 1 1 d . U . . .
H47 H 0.5944 0.5493 0.2209 0.096 Uiso 1 1 calc R . . . .
C40 C 0.7983(13) 0.4264(12) 0.0053(10) 0.135(7) Uani 1 1 d . U . . .
H40 H 0.8162 0.4805 0.0087 0.161 Uiso 1 1 calc R . . . .
C61 C 0.7222(10) 0.2229(11) 0.6689(10) 0.108(5) Uani 1 1 d . U . . .
H61 H 0.7100 0.1966 0.6999 0.130 Uiso 1 1 calc R . . . .
C27 C 0.3737(11) 0.1885(13) 0.0412(9) 0.123(5) Uani 1 1 d . U . . .
H27 H 0.3949 0.2375 0.0353 0.148 Uiso 1 1 calc R . . . .
C19 C 0.3961(10) 0.4162(12) 0.0151(12) 0.129(6) Uani 1 1 d . U . . .
H19 H 0.4379 0.4239 -0.0088 0.155 Uiso 1 1 calc R . . . .
C60 C 0.7568(10) 0.1925(10) 0.6148(10) 0.099(5) Uani 1 1 d . U . . .
H60 H 0.7682 0.1449 0.6082 0.119 Uiso 1 1 calc R . . . .
C32 C 0.6126(11) 0.1343(10) 0.2404(11) 0.116(6) Uani 1 1 d . U . . .
H32 H 0.6260 0.1189 0.2773 0.139 Uiso 1 1 calc R . . . .
C25 C 0.2920(12) 0.0429(16) -0.0100(14) 0.150(7) Uani 1 1 d . U . . .
H25 H 0.2565 -0.0041 -0.0499 0.180 Uiso 1 1 calc R . . . .
C31 C 0.6333(12) 0.1033(11) 0.1759(11) 0.123(6) Uani 1 1 d . U . . .
H31 H 0.6629 0.0688 0.1691 0.147 Uiso 1 1 calc R . . . .
C62 C 0.7041(11) 0.2929(11) 0.6797(9) 0.114(5) Uani 1 1 d . U . . .
H62 H 0.6795 0.3136 0.7175 0.136 Uiso 1 1 calc R . . . .
C3AA C 0.3968(12) 0.4779(13) 0.0805(12) 0.135(7) Uani 1 1 d . U . . .
H3AA H 0.4396 0.5285 0.0985 0.162 Uiso 1 1 calc R . . . .
C54 C 0.5206(10) 0.1965(14) 0.4469(11) 0.131(6) Uani 1 1 d . U . . .
H54 H 0.4954 0.1406 0.4368 0.157 Uiso 1 1 calc R . . . .
C13 C 0.1706(13) 0.2228(10) -0.2569(8) 0.141(8) Uani 1 1 d . U . . .
H13 H 0.1690 0.1847 -0.3033 0.169 Uiso 1 1 calc R . . . .
C17 C 0.3378(11) 0.4701(11) 0.1221(11) 0.129(6) Uani 1 1 d . U . . .
H17 H 0.3420 0.5122 0.1672 0.155 Uiso 1 1 calc R . . . .
C55 C 0.4780(10) 0.2458(14) 0.4567(11) 0.135(6) Uani 1 1 d . U . . .
H55 H 0.4231 0.2244 0.4537 0.162 Uiso 1 1 calc R . . . .
C56 C 0.5143(9) 0.3264(14) 0.4710(11) 0.133(6) Uani 1 1 d . U . . .
H56 H 0.4843 0.3604 0.4767 0.160 Uiso 1 1 calc R . . . .
C2 C 0.3186(14) 0.1091(16) -0.0211(13) 0.164(8) Uani 1 1 d . U . . .
H2 H 0.3040 0.1077 -0.0670 0.196 Uiso 1 1 calc R . . . .
C7 C 0.3097(11) 0.0317(13) 0.0561(13) 0.153(7) Uani 1 1 d . U . . .
H7 H 0.2911 -0.0188 0.0600 0.184 Uiso 1 1 calc R . . . .


_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
Mo9 Mo10 3.3547(12) . ?
Mo9 Mo8 3.3528(12) . ?
Mo9 O17 1.924(6) . ?
Mo9 O16 1.920(6) . ?
Mo9 O19 1.933(6) . ?
Mo9 O15 2.365(6) . ?
Mo9 O18 1.903(6) . ?
Mo9 O31 1.681(6) . ?
Mo10 Mo8 3.3472(12) . ?
Mo10 O21 1.888(6) . ?
Mo10 O20 1.852(6) . ?
Mo10 O19 1.957(6) . ?
Mo10 O15 2.343(6) . ?
Mo10 O27 1.985(6) . ?
Mo10 O30 1.693(6) . ?
Mo6 Mo11 3.3362(12) . ?
Mo6 Mo7 3.3368(12) . ?
Mo6 O10 2.320(6) . ?
Mo6 O22 1.929(7) . ?
Mo6 O12 1.928(6) . ?
Mo6 O34 1.682(6) . ?
Mo6 O9 1.885(7) . ?
Mo6 O8 1.920(6) . ?
Mo8 O13 1.922(6) . ?
Mo8 O20 2.020(6) . ?
Mo8 O15 2.320(6) . ?
Mo8 O18 1.953(6) . ?
Mo8 O14 1.841(6) . ?
Mo8 O32 1.668(6) . ?
Mo1 Mo2 3.3357(12) . ?
Mo1 Mo3 3.3351(12) . ?
Mo1 O1 2.301(6) . ?
Mo1 O2 1.999(6) . ?
Mo1 O9 1.951(6) . ?
Mo1 O4 1.889(6) . ?
Mo1 O7 1.838(6) . ?
Mo1 O40 1.697(6) . ?
Mo11 Mo7 3.3634(13) . ?
Mo11 O21 1.947(6) . ?
Mo11 O10 2.335(6) . ?
Mo11 O22 1.889(6) . ?
Mo11 O24 1.872(6) . ?
Mo11 O23 1.981(7) . ?
Mo11 O29 1.684(7) . ?
Mo5 Mo12 3.3262(12) . ?
Mo5 Mo4 3.3366(12) . ?
Mo5 O6 2.341(6) . ?
Mo5 O25 1.860(7) . ?
Mo5 O8 1.908(6) . ?
Mo5 O35 1.908(7) . ?
Mo5 O7 2.018(7) . ?
Mo5 O36 1.681(6) . ?
Mo13 O40 2.505(6) . ?
Mo13 N9 2.254(8) . ?
Mo13 N1 2.180(8) . ?
Mo12 Mo4 3.3739(14) . ?
Mo12 O6 2.359(6) . ?
Mo12 O25 1.964(6) . ?
Mo12 O24 1.949(6) . ?
Mo12 O26 1.893(7) . ?
Mo12 O27 1.865(6) . ?
Mo12 O28 1.686(7) . ?
Mo7 O10 2.368(6) . ?
Mo7 O13 1.953(6) . ?
Mo7 O12 1.917(6) . ?
Mo7 O23 1.892(7) . ?
Mo7 O11 1.949(7) . ?
Mo7 O33 1.680(6) . ?
Mo16 N6 2.315(9) 1_656 ?
Mo16 N10 2.328(8) . ?
Mo4 O6 2.351(6) . ?
Mo4 O17 1.928(6) . ?
Mo4 O26 1.978(7) . ?
Mo4 O5 1.858(7) . ?
Mo4 O35 1.928(6) . ?
Mo4 O37 1.676(7) . ?
Mo2 Mo3 3.3540(13) . ?
Mo2 O1 2.369(6) . ?
Mo2 O2 1.865(6) . ?
Mo2 O14 1.983(6) . ?
Mo2 O11 1.870(7) . ?
Mo2 O3 1.969(7) . ?
Mo2 O39 1.674(6) . ?
Mo15 N5 2.271(8) . ?
Mo15 N4 2.303(8) . ?
Mo14 N3 2.245(8) . ?
Mo14 N2 2.233(8) . ?
Mo14 N7 2.498(10) . ?
Mo3 O1 2.340(6) . ?
Mo3 O16 1.876(6) . ?
Mo3 O5 1.958(7) . ?
Mo3 O4 1.956(6) . ?
Mo3 O3 1.880(7) . ?
Mo3 O38 1.689(7) . ?
Si1 O6 1.619(6) . ?
Si1 O10 1.627(6) . ?
Si1 O1 1.631(6) . ?
Si1 O15 1.639(6) . ?
N6 Mo16 2.315(9) 1_454 ?
N6 C6 1.309(12) . ?
N6 C1AA 1.343(12) . ?
N5 C5 1.345(13) . ?
N5 C8 1.308(12) . ?
N3 C22 1.288(12) . ?
N3 C3 1.357(12) . ?
N9 C64 1.319(12) . ?
N9 C67 1.345(12) . ?
N2 C50 1.315(12) . ?
N2 C0AA 1.370(13) . ?
N10 C65 1.350(12) . ?
N10 C66 1.320(13) . ?
N1 C1 1.341(11) . ?
N1 C51 1.357(12) . ?
N4 C4 1.325(13) . ?
N4 C5AA 1.314(13) . ?
N7 C37 1.340(15) . ?
N7 C34 1.363(15) . ?
N8 C7AA 1.367(16) . ?
N8 C36 1.314(18) . ?
C6 C5 1.408(14) . ?
C6 C9 1.479(14) . ?
C74 C64 1.498(13) . ?
C74 C75 1.383(14) . ?
C74 C79 1.393(14) . ?
C5 C15 1.488(15) . ?
C8 H8 0.9300 . ?
C8 C1AA 1.393(14) . ?
C1 C58 1.497(13) . ?
C1 C0AA 1.369(13) . ?
C64 C65 1.395(13) . ?
C51 H51 0.9300 . ?
C51 C50 1.391(13) . ?
C50 H50 0.9300 . ?
C67 H67 0.9300 . ?
C67 C66 1.397(14) . ?
C58 C59 1.356(16) . ?
C58 C63 1.377(17) . ?
C1AA H1AA 0.9300 . ?
C22 H22 0.9300 . ?
C22 C5AA 1.379(14) . ?
C9 C10 1.420(14) . ?
C9 C14 1.314(15) . ?
C75 H75 0.9300 . ?
C75 C76 1.368(15) . ?
C69 H69 0.9300 . ?
C69 C70 1.397(16) . ?
C69 C68 1.395(15) . ?
C79 H79 0.9300 . ?
C79 C78 1.356(15) . ?
C15 C16 1.390(18) . ?
C15 C4AA 1.405(18) . ?
C70 H70 0.9300 . ?
C70 C71 1.353(19) . ?
C65 C68 1.493(14) . ?
C68 C73 1.428(15) . ?
C3 C4 1.420(14) . ?
C3 C28 1.498(15) . ?
C4 C23 1.470(16) . ?
C37 H37 0.9300 . ?
C37 C36 1.380(19) . ?
C0AA C52 1.520(14) . ?
C66 H66 0.9300 . ?
C44 C34 1.469(16) . ?
C44 C45 1.361(15) . ?
C44 C49 1.395(15) . ?
C34 C7AA 1.420(16) . ?
C5AA H5AA 0.9300 . ?
C28 C29 1.375(16) . ?
C28 C6AA 1.391(17) . ?
C73 H73 0.9300 . ?
C73 C72 1.363(18) . ?
C45 H45 0.9300 . ?
C45 C46 1.424(17) . ?
C76 H76 0.9300 . ?
C76 C77 1.379(18) . ?
C7AA C38 1.450(18) . ?
C71 H71 0.9300 . ?
C71 C72 1.40(2) . ?
C49 H49 0.9300 . ?
C49 C48 1.353(16) . ?
C78 H78 0.9300 . ?
C78 C77 1.397(17) . ?
C29 H29 0.9300 . ?
C29 C30 1.410(18) . ?
C23 C24 1.44(2) . ?
C23 C27 1.33(2) . ?
C52 C53 1.363(18) . ?
C52 C57 1.324(18) . ?
C6AA H6AA 0.9300 . ?
C6AA C32 1.382(18) . ?
C46 H46 0.9300 . ?
C46 C47 1.349(18) . ?
C38 C39 1.381(19) . ?
C38 C43 1.395(19) . ?
C59 H59 0.9300 . ?
C59 C60 1.375(17) . ?
C36 H36 0.9300 . ?
C16 H16 0.9300 . ?
C16 C17 1.392(19) . ?
C10 H10 0.9300 . ?
C10 C11 1.388(17) . ?
C48 H48 0.9300 . ?
C48 C47 1.375(18) . ?
C63 H63 0.9300 . ?
C63 C62 1.401(18) . ?
C72 H72 0.9300 . ?
C77 H77 0.9300 . ?
C4AA H4AA 0.9300 . ?
C4AA C19 1.386(19) . ?
C39 H39 0.9300 . ?
C39 C40 1.41(2) . ?
C24 H24 0.9300 . ?
C24 C7 1.41(2) . ?
C11 H11 0.9300 . ?
C11 C2AA 1.32(2) . ?
C43 H43 0.9300 . ?
C43 C42 1.36(2) . ?
C53 H53 0.9300 . ?
C53 C54 1.360(19) . ?
C42 H42 0.9300 . ?
C42 C41 1.35(2) . ?
C2AA H2AA 0.9300 . ?
C2AA C13 1.38(2) . ?
C41 H41 0.9300 . ?
C41 C40 1.32(2) . ?
C30 H30 0.9300 . ?
C30 C31 1.39(2) . ?
C57 H57 0.9300 . ?
C57 C56 1.407(19) . ?
C14 H14 0.9300 . ?
C14 C13 1.389(18) . ?
C47 H47 0.9300 . ?
C40 H40 0.9300 . ?
C61 H61 0.9300 . ?
C61 C60 1.33(2) . ?
C61 C62 1.38(2) . ?
C27 H27 0.9300 . ?
C27 C2 1.50(2) . ?
C19 H19 0.9300 . ?
C19 C3AA 1.38(3) . ?
C60 H60 0.9300 . ?
C32 H32 0.9300 . ?
C32 C31 1.35(2) . ?
C25 H25 0.9300 . ?
C25 C2 1.28(3) . ?
C25 C7 1.45(3) . ?
C31 H31 0.9300 . ?
C62 H62 0.9300 . ?
C3AA H3AA 0.9300 . ?
C3AA C17 1.41(3) . ?
C54 H54 0.9300 . ?
C54 C55 1.33(3) . ?
C13 H13 0.9300 . ?
C17 H17 0.9300 . ?
C55 H55 0.9300 . ?
C55 C56 1.34(3) . ?
C56 H56 0.9300 . ?
C2 H2 0.9300 . ?
C7 H7 0.9300 . ?

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
Mo8 Mo9 Mo10 59.87(3) . . ?
O17 Mo9 Mo10 89.1(2) . . ?
O17 Mo9 Mo8 128.26(19) . . ?
O17 Mo9 O19 88.7(3) . . ?
O17 Mo9 O15 84.7(2) . . ?
O16 Mo9 Mo10 127.57(18) . . ?
O16 Mo9 Mo8 84.47(18) . . ?
O16 Mo9 O17 84.5(3) . . ?
O16 Mo9 O19 157.5(3) . . ?
O16 Mo9 O15 83.3(2) . . ?
O19 Mo9 Mo10 30.61(18) . . ?
O19 Mo9 Mo8 82.95(19) . . ?
O19 Mo9 O15 74.7(2) . . ?
O15 Mo9 Mo10 44.28(14) . . ?
O15 Mo9 Mo8 43.78(14) . . ?
O18 Mo9 Mo10 78.36(19) . . ?
O18 Mo9 Mo8 30.03(18) . . ?
O18 Mo9 O17 158.1(3) . . ?
O18 Mo9 O16 89.0(3) . . ?
O18 Mo9 O19 89.4(3) . . ?
O18 Mo9 O15 73.8(2) . . ?
O31 Mo9 Mo10 128.9(2) . . ?
O31 Mo9 Mo8 130.1(2) . . ?
O31 Mo9 O17 101.6(3) . . ?
O31 Mo9 O16 103.3(3) . . ?
O31 Mo9 O19 99.1(3) . . ?
O31 Mo9 O15 171.2(3) . . ?
O31 Mo9 O18 100.2(3) . . ?
Mo8 Mo10 Mo9 60.04(3) . . ?
O21 Mo10 Mo9 130.37(19) . . ?
O21 Mo10 Mo8 90.0(2) . . ?
O21 Mo10 O19 158.4(3) . . ?
O21 Mo10 O15 85.8(2) . . ?
O21 Mo10 O27 84.2(3) . . ?
O20 Mo10 Mo9 81.0(2) . . ?
O20 Mo10 Mo8 31.64(19) . . ?
O20 Mo10 O21 92.8(3) . . ?
O20 Mo10 O19 91.6(3) . . ?
O20 Mo10 O15 75.5(2) . . ?
O20 Mo10 O27 159.1(3) . . ?
O19 Mo10 Mo9 30.20(18) . . ?
O19 Mo10 Mo8 82.78(19) . . ?
O19 Mo10 O15 74.8(2) . . ?
O19 Mo10 O27 84.2(3) . . ?
O15 Mo10 Mo9 44.82(14) . . ?
O15 Mo10 Mo8 43.86(14) . . ?
O27 Mo10 Mo9 85.28(19) . . ?
O27 Mo10 Mo8 127.50(18) . . ?
O27 Mo10 O15 83.6(2) . . ?
O30 Mo10 Mo9 128.8(2) . . ?
O30 Mo10 Mo8 133.0(2) . . ?
O30 Mo10 O21 100.7(3) . . ?
O30 Mo10 O20 101.6(3) . . ?
O30 Mo10 O19 99.1(3) . . ?
O30 Mo10 O15 173.1(3) . . ?
O30 Mo10 O27 99.2(3) . . ?
Mo11 Mo6 Mo7 60.53(3) . . ?
O10 Mo6 Mo11 44.39(15) . . ?
O10 Mo6 Mo7 45.21(14) . . ?
O22 Mo6 Mo11 28.75(18) . . ?
O22 Mo6 Mo7 78.66(19) . . ?
O22 Mo6 O10 73.1(2) . . ?
O12 Mo6 Mo11 80.60(19) . . ?
O12 Mo6 Mo7 29.69(17) . . ?
O12 Mo6 O10 74.9(2) . . ?
O12 Mo6 O22 86.8(3) . . ?
O34 Mo6 Mo11 128.0(2) . . ?
O34 Mo6 Mo7 129.5(2) . . ?
O34 Mo6 O10 171.0(3) . . ?
O34 Mo6 O22 99.3(3) . . ?
O34 Mo6 O12 100.2(3) . . ?
O34 Mo6 O9 101.9(3) . . ?
O34 Mo6 O8 100.1(3) . . ?
O9 Mo6 Mo11 130.08(18) . . ?
O9 Mo6 Mo7 89.04(18) . . ?
O9 Mo6 O10 85.8(2) . . ?
O9 Mo6 O22 158.7(2) . . ?
O9 Mo6 O12 91.0(3) . . ?
O9 Mo6 O8 86.2(3) . . ?
O8 Mo6 Mo11 85.85(19) . . ?
O8 Mo6 Mo7 130.01(18) . . ?
O8 Mo6 O10 84.8(2) . . ?
O8 Mo6 O22 88.5(3) . . ?
O8 Mo6 O12 159.7(2) . . ?
Mo10 Mo8 Mo9 60.09(3) . . ?
O13 Mo8 Mo9 130.18(18) . . ?
O13 Mo8 Mo10 84.27(19) . . ?
O13 Mo8 O20 85.0(3) . . ?
O13 Mo8 O15 85.4(2) . . ?
O13 Mo8 O18 158.9(3) . . ?
O20 Mo8 Mo9 79.01(17) . . ?
O20 Mo8 Mo10 28.75(17) . . ?
O20 Mo8 O15 73.1(2) . . ?
O15 Mo8 Mo9 44.85(14) . . ?
O15 Mo8 Mo10 44.39(14) . . ?
O18 Mo8 Mo9 29.18(18) . . ?
O18 Mo8 Mo10 78.00(19) . . ?
O18 Mo8 O20 84.9(3) . . ?
O18 Mo8 O15 74.0(2) . . ?
O14 Mo8 Mo9 89.99(19) . . ?
O14 Mo8 Mo10 131.34(19) . . ?
O14 Mo8 O13 89.4(3) . . ?
O14 Mo8 O20 159.8(3) . . ?
O14 Mo8 O15 87.1(2) . . ?
O14 Mo8 O18 93.8(3) . . ?
O32 Mo8 Mo9 127.3(2) . . ?
O32 Mo8 Mo10 124.9(2) . . ?
O32 Mo8 O13 101.0(3) . . ?
O32 Mo8 O20 96.5(3) . . ?
O32 Mo8 O15 167.4(3) . . ?
O32 Mo8 O18 98.5(3) . . ?
O32 Mo8 O14 103.7(3) . . ?
Mo3 Mo1 Mo2 60.37(3) . . ?
O1 Mo1 Mo2 45.23(14) . . ?
O1 Mo1 Mo3 44.53(15) . . ?
O2 Mo1 Mo2 29.17(17) . . ?
O2 Mo1 Mo3 79.92(18) . . ?
O2 Mo1 O1 74.4(2) . . ?
O9 Mo1 Mo2 83.87(18) . . ?
O9 Mo1 Mo3 128.78(17) . . ?
O9 Mo1 O1 84.3(2) . . ?
O9 Mo1 O2 85.1(3) . . ?
O4 Mo1 Mo2 79.57(19) . . ?
O4 Mo1 Mo3 30.43(18) . . ?
O4 Mo1 O1 75.0(2) . . ?
O4 Mo1 O2 86.6(3) . . ?
O4 Mo1 O9 159.0(2) . . ?
O7 Mo1 Mo2 133.42(19) . . ?
O7 Mo1 Mo3 92.42(19) . . ?
O7 Mo1 O1 88.5(2) . . ?
O7 Mo1 O2 161.7(3) . . ?
O7 Mo1 O9 87.0(3) . . ?
O7 Mo1 O4 95.1(3) . . ?
O40 Mo1 Mo2 124.3(2) . . ?
O40 Mo1 Mo3 129.5(2) . . ?
O40 Mo1 O1 168.5(3) . . ?
O40 Mo1 O2 95.3(3) . . ?
O40 Mo1 O9 100.3(3) . . ?
O40 Mo1 O4 99.6(3) . . ?
O40 Mo1 O7 102.3(3) . . ?
Mo6 Mo11 Mo7 59.74(3) . . ?
O21 Mo11 Mo6 128.56(19) . . ?
O21 Mo11 Mo7 85.66(19) . . ?
O21 Mo11 O10 84.5(2) . . ?
O21 Mo11 O23 85.6(3) . . ?
O10 Mo11 Mo6 44.04(14) . . ?
O10 Mo11 Mo7 44.74(14) . . ?
O22 Mo11 Mo6 29.4(2) . . ?
O22 Mo11 Mo7 78.4(2) . . ?
O22 Mo11 O21 158.0(3) . . ?
O22 Mo11 O10 73.5(2) . . ?
O22 Mo11 O23 87.7(3) . . ?
O24 Mo11 Mo6 89.84(19) . . ?
O24 Mo11 Mo7 131.0(2) . . ?
O24 Mo11 O21 86.1(3) . . ?
O24 Mo11 O10 86.4(2) . . ?
O24 Mo11 O22 93.0(3) . . ?
O24 Mo11 O23 159.0(3) . . ?
O23 Mo11 Mo6 80.49(19) . . ?
O23 Mo11 Mo7 29.0(2) . . ?
O23 Mo11 O10 73.7(2) . . ?
O29 Mo11 Mo6 129.7(2) . . ?
O29 Mo11 Mo7 126.6(3) . . ?
O29 Mo11 O21 101.1(3) . . ?
O29 Mo11 O10 169.7(3) . . ?
O29 Mo11 O22 100.6(3) . . ?
O29 Mo11 O24 102.4(3) . . ?
O29 Mo11 O23 98.1(3) . . ?
Mo12 Mo5 Mo4 60.85(3) . . ?
O6 Mo5 Mo12 45.17(15) . . ?
O6 Mo5 Mo4 44.78(15) . . ?
O25 Mo5 Mo12 30.48(19) . . ?
O25 Mo5 Mo4 82.5(2) . . ?
O25 Mo5 O6 75.6(2) . . ?
O25 Mo5 O8 92.4(3) . . ?
O25 Mo5 O35 91.8(3) . . ?
O25 Mo5 O7 158.6(3) . . ?
O8 Mo5 Mo12 90.70(19) . . ?
O8 Mo5 Mo4 128.98(18) . . ?
O8 Mo5 O6 84.7(2) . . ?
O8 Mo5 O35 157.0(3) . . ?
O8 Mo5 O7 82.7(3) . . ?
O35 Mo5 Mo12 81.62(19) . . ?
O35 Mo5 Mo4 29.74(19) . . ?
O35 Mo5 O6 74.5(2) . . ?
O35 Mo5 O7 85.2(3) . . ?
O7 Mo5 Mo12 128.35(18) . . ?
O7 Mo5 Mo4 84.42(18) . . ?
O7 Mo5 O6 83.2(2) . . ?
O36 Mo5 Mo12 131.4(3) . . ?
O36 Mo5 Mo4 129.4(2) . . ?
O36 Mo5 O6 173.4(3) . . ?
O36 Mo5 O25 101.4(3) . . ?
O36 Mo5 O8 101.4(3) . . ?
O36 Mo5 O35 99.9(3) . . ?
O36 Mo5 O7 100.0(3) . . ?
N9 Mo13 O40 98.3(3) . . ?
N1 Mo13 O40 104.3(3) . . ?
N1 Mo13 N9 141.9(3) . . ?
Mo5 Mo12 Mo4 59.73(3) . . ?
O6 Mo12 Mo5 44.72(14) . . ?
O6 Mo12 Mo4 44.14(15) . . ?
O25 Mo12 Mo5 28.7(2) . . ?
O25 Mo12 Mo4 80.2(2) . . ?
O25 Mo12 O6 73.4(2) . . ?
O24 Mo12 Mo5 85.30(19) . . ?
O24 Mo12 Mo4 127.92(19) . . ?
O24 Mo12 O6 83.8(2) . . ?
O24 Mo12 O25 85.7(3) . . ?
O26 Mo12 Mo5 78.9(2) . . ?
O26 Mo12 Mo4 30.1(2) . . ?
O26 Mo12 O6 74.2(2) . . ?
O26 Mo12 O25 87.7(3) . . ?
O26 Mo12 O24 158.0(3) . . ?
O27 Mo12 Mo5 130.79(19) . . ?
O27 Mo12 Mo4 90.0(2) . . ?
O27 Mo12 O6 86.2(2) . . ?
O27 Mo12 O25 158.5(3) . . ?
O27 Mo12 O24 85.5(3) . . ?
O27 Mo12 O26 93.3(3) . . ?
O28 Mo12 Mo5 127.1(3) . . ?
O28 Mo12 Mo4 130.5(3) . . ?
O28 Mo12 O6 170.6(3) . . ?
O28 Mo12 O25 98.8(3) . . ?
O28 Mo12 O24 101.0(3) . . ?
O28 Mo12 O26 100.8(3) . . ?
O28 Mo12 O27 102.1(3) . . ?
Mo6 Mo7 Mo11 59.72(3) . . ?
O10 Mo7 Mo6 44.04(13) . . ?
O10 Mo7 Mo11 43.94(15) . . ?
O13 Mo7 Mo6 128.92(18) . . ?
O13 Mo7 Mo11 88.29(19) . . ?
O13 Mo7 O10 85.0(2) . . ?
O12 Mo7 Mo6 29.89(18) . . ?
O12 Mo7 Mo11 80.00(19) . . ?
O12 Mo7 O10 73.9(2) . . ?
O12 Mo7 O13 158.4(3) . . ?
O12 Mo7 O11 88.4(3) . . ?
O23 Mo7 Mo6 81.6(2) . . ?
O23 Mo7 Mo11 30.5(2) . . ?
O23 Mo7 O10 74.4(2) . . ?
O23 Mo7 O13 88.9(3) . . ?
O23 Mo7 O12 90.1(3) . . ?
O23 Mo7 O11 157.8(3) . . ?
O11 Mo7 Mo6 86.17(18) . . ?
O11 Mo7 Mo11 127.87(18) . . ?
O11 Mo7 O10 84.0(2) . . ?
O11 Mo7 O13 84.5(3) . . ?
O33 Mo7 Mo6 130.8(2) . . ?
O33 Mo7 Mo11 130.9(3) . . ?
O33 Mo7 O10 172.9(3) . . ?
O33 Mo7 O13 100.2(3) . . ?
O33 Mo7 O12 101.2(3) . . ?
O33 Mo7 O23 100.9(3) . . ?
O33 Mo7 O11 101.2(3) . . ?
N6 Mo16 N10 130.8(3) 1_656 . ?
Mo5 Mo4 Mo12 59.43(3) . . ?
O6 Mo4 Mo5 44.54(14) . . ?
O6 Mo4 Mo12 44.34(15) . . ?
O17 Mo4 Mo5 128.88(19) . . ?
O17 Mo4 Mo12 83.7(2) . . ?
O17 Mo4 O6 84.4(2) . . ?
O17 Mo4 O26 85.8(3) . . ?
O26 Mo4 Mo5 77.63(19) . . ?
O26 Mo4 Mo12 28.66(18) . . ?
O26 Mo4 O6 73.0(2) . . ?
O5 Mo4 Mo5 90.97(19) . . ?
O5 Mo4 Mo12 130.38(19) . . ?
O5 Mo4 O6 86.3(2) . . ?
O5 Mo4 O17 87.7(3) . . ?
O5 Mo4 O26 158.7(3) . . ?
O5 Mo4 O35 92.0(3) . . ?
O35 Mo4 Mo5 29.40(19) . . ?
O35 Mo4 Mo12 80.1(2) . . ?
O35 Mo4 O6 73.9(2) . . ?
O35 Mo4 O17 158.3(3) . . ?
O35 Mo4 O26 86.8(3) . . ?
O37 Mo4 Mo5 128.7(3) . . ?
O37 Mo4 Mo12 126.6(3) . . ?
O37 Mo4 O6 169.2(3) . . ?
O37 Mo4 O17 101.1(3) . . ?
O37 Mo4 O26 98.0(3) . . ?
O37 Mo4 O5 103.1(3) . . ?
O37 Mo4 O35 100.1(3) . . ?
Mo1 Mo2 Mo3 59.81(3) . . ?
O1 Mo2 Mo1 43.61(13) . . ?
O1 Mo2 Mo3 44.24(14) . . ?
O2 Mo2 Mo1 31.49(19) . . ?
O2 Mo2 Mo3 81.07(19) . . ?
O2 Mo2 O1 75.1(2) . . ?
O2 Mo2 O14 157.6(3) . . ?
O2 Mo2 O11 94.3(3) . . ?
O2 Mo2 O3 89.4(3) . . ?
O14 Mo2 Mo1 126.13(18) . . ?
O14 Mo2 Mo3 82.52(18) . . ?
O14 Mo2 O1 82.5(2) . . ?
O11 Mo2 Mo1 91.32(19) . . ?
O11 Mo2 Mo3 129.81(19) . . ?
O11 Mo2 O1 86.1(2) . . ?
O11 Mo2 O14 84.7(3) . . ?
O11 Mo2 O3 156.9(3) . . ?
O3 Mo2 Mo1 80.04(19) . . ?
O3 Mo2 Mo3 28.64(19) . . ?
O3 Mo2 O1 72.9(2) . . ?
O3 Mo2 O14 83.3(3) . . ?
O39 Mo2 Mo1 131.9(3) . . ?
O39 Mo2 Mo3 127.8(3) . . ?
O39 Mo2 O1 171.1(3) . . ?
O39 Mo2 O2 100.9(3) . . ?
O39 Mo2 O14 101.2(3) . . ?
O39 Mo2 O11 102.2(3) . . ?
O39 Mo2 O3 99.4(3) . . ?
N5 Mo15 N4 139.3(3) . . ?
N3 Mo14 N7 112.3(3) . . ?
N2 Mo14 N3 153.3(3) . . ?
N2 Mo14 N7 91.7(3) . . ?
Mo1 Mo3 Mo2 59.82(3) . . ?
O1 Mo3 Mo1 43.61(14) . . ?
O1 Mo3 Mo2 44.92(14) . . ?
O16 Mo3 Mo1 129.6(2) . . ?
O16 Mo3 Mo2 92.08(19) . . ?
O16 Mo3 O1 86.5(2) . . ?
O16 Mo3 O5 84.9(3) . . ?
O16 Mo3 O4 158.2(3) . . ?
O16 Mo3 O3 93.7(3) . . ?
O5 Mo3 Mo1 83.00(18) . . ?
O5 Mo3 Mo2 128.01(19) . . ?
O5 Mo3 O1 83.1(2) . . ?
O4 Mo3 Mo1 29.27(19) . . ?
O4 Mo3 Mo2 78.28(18) . . ?
O4 Mo3 O1 72.9(2) . . ?
O4 Mo3 O5 85.9(3) . . ?
O3 Mo3 Mo1 81.2(2) . . ?
O3 Mo3 Mo2 30.1(2) . . ?
O3 Mo3 O1 75.0(2) . . ?
O3 Mo3 O5 158.1(3) . . ?
O3 Mo3 O4 87.6(3) . . ?
O38 Mo3 Mo1 128.9(2) . . ?
O38 Mo3 Mo2 130.2(3) . . ?
O38 Mo3 O1 171.3(3) . . ?
O38 Mo3 O16 101.4(3) . . ?
O38 Mo3 O5 101.1(3) . . ?
O38 Mo3 O4 99.7(3) . . ?
O38 Mo3 O3 100.6(3) . . ?
O6 Si1 O10 109.1(3) . . ?
O6 Si1 O1 109.0(3) . . ?
O6 Si1 O15 110.1(3) . . ?
O10 Si1 O1 109.7(3) . . ?
O10 Si1 O15 109.6(3) . . ?
O1 Si1 O15 109.2(3) . . ?
Mo5 O6 Mo12 90.1(2) . . ?
Mo5 O6 Mo4 90.7(2) . . ?
Mo4 O6 Mo12 91.5(2) . . ?
Si1 O6 Mo5 126.6(3) . . ?
Si1 O6 Mo12 124.1(3) . . ?
Si1 O6 Mo4 123.5(3) . . ?
Mo10 O21 Mo11 151.6(4) . . ?
Mo6 O10 Mo11 91.6(2) . . ?
Mo6 O10 Mo7 90.75(19) . . ?
Mo11 O10 Mo7 91.3(2) . . ?
Si1 O10 Mo6 124.2(3) . . ?
Si1 O10 Mo11 124.2(3) . . ?
Si1 O10 Mo7 124.8(3) . . ?
Mo1 O1 Mo2 91.2(2) . . ?
Mo1 O1 Mo3 91.9(2) . . ?
Mo3 O1 Mo2 90.8(2) . . ?
Si1 O1 Mo1 124.1(3) . . ?
Si1 O1 Mo2 124.4(3) . . ?
Si1 O1 Mo3 124.5(3) . . ?
Mo8 O13 Mo7 147.9(4) . . ?
Mo11 O22 Mo6 121.8(3) . . ?
Mo10 O20 Mo8 119.6(3) . . ?
Mo7 O12 Mo6 120.4(3) . . ?
Mo2 O2 Mo1 119.3(3) . . ?
Mo9 O17 Mo4 149.9(4) . . ?
Mo5 O25 Mo12 120.8(3) . . ?
Mo11 O24 Mo12 150.7(4) . . ?
Mo3 O16 Mo9 154.4(4) . . ?
Mo9 O19 Mo10 119.2(3) . . ?
Mo7 O23 Mo11 120.5(3) . . ?
Mo12 O26 Mo4 121.3(3) . . ?
Mo4 O5 Mo3 150.3(4) . . ?
Mo10 O15 Mo9 90.89(19) . . ?
Mo8 O15 Mo9 91.4(2) . . ?
Mo8 O15 Mo10 91.7(2) . . ?
Si1 O15 Mo9 124.7(3) . . ?
Si1 O15 Mo10 124.7(3) . . ?
Si1 O15 Mo8 123.5(3) . . ?
Mo12 O27 Mo10 151.9(3) . . ?
Mo6 O9 Mo1 148.9(3) . . ?
Mo9 O18 Mo8 120.8(3) . . ?
Mo8 O14 Mo2 149.8(4) . . ?
Mo2 O11 Mo7 154.6(3) . . ?
Mo1 O4 Mo3 120.3(3) . . ?
Mo5 O8 Mo6 153.4(4) . . ?
Mo5 O35 Mo4 120.9(3) . . ?
Mo1 O7 Mo5 150.6(4) . . ?
Mo1 O40 Mo13 113.7(3) . . ?
Mo3 O3 Mo2 121.2(3) . . ?
C6 N6 Mo16 119.8(7) . 1_454 ?
C6 N6 C1AA 118.6(10) . . ?
C1AA N6 Mo16 121.6(7) . 1_454 ?
C5 N5 Mo15 119.0(7) . . ?
C8 N5 Mo15 121.6(7) . . ?
C8 N5 C5 119.3(9) . . ?
C22 N3 Mo14 123.1(7) . . ?
C22 N3 C3 117.8(9) . . ?
C3 N3 Mo14 119.0(7) . . ?
C64 N9 Mo13 115.2(6) . . ?
C64 N9 C67 119.0(9) . . ?
C67 N9 Mo13 124.4(7) . . ?
C50 N2 Mo14 118.9(7) . . ?
C50 N2 C0AA 117.4(9) . . ?
C0AA N2 Mo14 123.2(7) . . ?
C65 N10 Mo16 116.1(7) . . ?
C66 N10 Mo16 123.2(7) . . ?
C66 N10 C65 118.9(9) . . ?
C1 N1 Mo13 118.7(6) . . ?
C1 N1 C51 117.8(9) . . ?
C51 N1 Mo13 123.4(6) . . ?
C4 N4 Mo15 113.2(7) . . ?
C5AA N4 Mo15 123.1(7) . . ?
C5AA N4 C4 120.2(10) . . ?
C37 N7 Mo14 123.2(9) . . ?
C37 N7 C34 117.4(12) . . ?
C34 N7 Mo14 116.1(8) . . ?
C36 N8 C7AA 118.4(13) . . ?
N6 C6 C5 120.5(9) . . ?
N6 C6 C9 114.5(9) . . ?
C5 C6 C9 125.0(9) . . ?
C75 C74 C64 119.6(10) . . ?
C75 C74 C79 118.8(10) . . ?
C79 C74 C64 121.4(9) . . ?
N5 C5 C6 119.8(9) . . ?
N5 C5 C15 116.2(10) . . ?
C6 C5 C15 124.0(10) . . ?
N5 C8 H8 119.8 . . ?
N5 C8 C1AA 120.4(10) . . ?
C1AA C8 H8 119.8 . . ?
N1 C1 C58 114.7(9) . . ?
N1 C1 C0AA 121.1(9) . . ?
C0AA C1 C58 124.1(9) . . ?
N9 C64 C74 113.5(8) . . ?
N9 C64 C65 121.5(9) . . ?
C65 C64 C74 124.9(9) . . ?
N1 C51 H51 119.8 . . ?
N1 C51 C50 120.4(9) . . ?
C50 C51 H51 119.8 . . ?
N2 C50 C51 121.9(9) . . ?
N2 C50 H50 119.0 . . ?
C51 C50 H50 119.0 . . ?
N9 C67 H67 120.2 . . ?
N9 C67 C66 119.7(10) . . ?
C66 C67 H67 120.2 . . ?
C59 C58 C1 119.9(11) . . ?
C59 C58 C63 119.9(12) . . ?
C63 C58 C1 120.2(11) . . ?
N6 C1AA C8 120.9(10) . . ?
N6 C1AA H1AA 119.5 . . ?
C8 C1AA H1AA 119.5 . . ?
N3 C22 H22 118.7 . . ?
N3 C22 C5AA 122.6(11) . . ?
C5AA C22 H22 118.7 . . ?
C10 C9 C6 123.0(10) . . ?
C14 C9 C6 119.9(10) . . ?
C14 C9 C10 117.0(11) . . ?
C74 C75 H75 119.1 . . ?
C76 C75 C74 121.8(12) . . ?
C76 C75 H75 119.1 . . ?
C70 C69 H69 119.9 . . ?
C68 C69 H69 119.9 . . ?
C68 C69 C70 120.2(12) . . ?
C74 C79 H79 119.9 . . ?
C78 C79 C74 120.2(11) . . ?
C78 C79 H79 119.9 . . ?
C16 C15 C5 118.4(12) . . ?
C16 C15 C4AA 119.4(12) . . ?
C4AA C15 C5 122.1(12) . . ?
C69 C70 H70 120.4 . . ?
C71 C70 C69 119.3(15) . . ?
C71 C70 H70 120.4 . . ?
N10 C65 C64 119.5(9) . . ?
N10 C65 C68 114.8(9) . . ?
C64 C65 C68 125.7(9) . . ?
C69 C68 C65 121.3(10) . . ?
C69 C68 C73 119.1(11) . . ?
C73 C68 C65 119.6(10) . . ?
N3 C3 C4 120.4(10) . . ?
N3 C3 C28 116.4(9) . . ?
C4 C3 C28 123.2(10) . . ?
N4 C4 C3 118.4(10) . . ?
N4 C4 C23 116.3(10) . . ?
C3 C4 C23 125.1(11) . . ?
N7 C37 H37 119.1 . . ?
N7 C37 C36 121.7(15) . . ?
C36 C37 H37 119.1 . . ?
N2 C0AA C52 115.0(9) . . ?
C1 C0AA N2 121.3(9) . . ?
C1 C0AA C52 123.7(9) . . ?
N10 C66 C67 121.3(10) . . ?
N10 C66 H66 119.3 . . ?
C67 C66 H66 119.3 . . ?
C45 C44 C34 118.3(11) . . ?
C45 C44 C49 117.9(12) . . ?
C49 C44 C34 123.8(11) . . ?
N7 C34 C44 114.3(11) . . ?
N7 C34 C7AA 120.5(12) . . ?
C7AA C34 C44 124.9(12) . . ?
N4 C5AA C22 120.4(11) . . ?
N4 C5AA H5AA 119.8 . . ?
C22 C5AA H5AA 119.8 . . ?
C29 C28 C3 120.8(12) . . ?
C29 C28 C6AA 120.9(12) . . ?
C6AA C28 C3 118.3(11) . . ?
C68 C73 H73 120.1 . . ?
C72 C73 C68 119.8(13) . . ?
C72 C73 H73 120.1 . . ?
C44 C45 H45 119.7 . . ?
C44 C45 C46 120.6(13) . . ?
C46 C45 H45 119.7 . . ?
C75 C76 H76 120.7 . . ?
C75 C76 C77 118.6(12) . . ?
C77 C76 H76 120.7 . . ?
N8 C7AA C34 119.6(13) . . ?
N8 C7AA C38 117.6(12) . . ?
C34 C7AA C38 122.7(13) . . ?
C70 C71 H71 118.9 . . ?
C70 C71 C72 122.1(14) . . ?
C72 C71 H71 118.9 . . ?
C44 C49 H49 118.7 . . ?
C48 C49 C44 122.7(13) . . ?
C48 C49 H49 118.7 . . ?
C79 C78 H78 119.9 . . ?
C79 C78 C77 120.2(13) . . ?
C77 C78 H78 119.9 . . ?
C28 C29 H29 121.1 . . ?
C28 C29 C30 117.7(15) . . ?
C30 C29 H29 121.1 . . ?
C24 C23 C4 117.6(15) . . ?
C27 C23 C4 120.7(17) . . ?
C27 C23 C24 121.5(16) . . ?
C53 C52 C0AA 120.6(13) . . ?
C57 C52 C0AA 120.1(12) . . ?
C57 C52 C53 119.3(13) . . ?
C28 C6AA H6AA 120.2 . . ?
C32 C6AA C28 119.6(14) . . ?
C32 C6AA H6AA 120.2 . . ?
C45 C46 H46 121.0 . . ?
C47 C46 C45 118.0(14) . . ?
C47 C46 H46 121.0 . . ?
C39 C38 C7AA 124.5(14) . . ?
C39 C38 C43 115.8(15) . . ?
C43 C38 C7AA 119.7(14) . . ?
C58 C59 H59 119.8 . . ?
C58 C59 C60 120.5(15) . . ?
C60 C59 H59 119.8 . . ?
N8 C36 C37 122.3(15) . . ?
N8 C36 H36 118.9 . . ?
C37 C36 H36 118.9 . . ?
C15 C16 H16 118.8 . . ?
C15 C16 C17 122.5(16) . . ?
C17 C16 H16 118.8 . . ?
C9 C10 H10 119.9 . . ?
C11 C10 C9 120.2(12) . . ?
C11 C10 H10 119.9 . . ?
C49 C48 H48 121.0 . . ?
C49 C48 C47 118.0(14) . . ?
C47 C48 H48 121.0 . . ?
C58 C63 H63 120.5 . . ?
C58 C63 C62 119.0(15) . . ?
C62 C63 H63 120.5 . . ?
C73 C72 C71 119.4(15) . . ?
C73 C72 H72 120.3 . . ?
C71 C72 H72 120.3 . . ?
C76 C77 C78 120.4(12) . . ?
C76 C77 H77 119.8 . . ?
C78 C77 H77 119.8 . . ?
C15 C4AA H4AA 119.6 . . ?
C19 C4AA C15 120.9(17) . . ?
C19 C4AA H4AA 119.6 . . ?
C38 C39 H39 119.6 . . ?
C38 C39 C40 120.7(16) . . ?
C40 C39 H39 119.6 . . ?
C23 C24 H24 118.0 . . ?
C7 C24 C23 124(2) . . ?
C7 C24 H24 118.0 . . ?
C10 C11 H11 119.9 . . ?
C2AA C11 C10 120.3(14) . . ?
C2AA C11 H11 119.9 . . ?
C38 C43 H43 119.4 . . ?
C42 C43 C38 121.1(17) . . ?
C42 C43 H43 119.4 . . ?
C52 C53 H53 119.4 . . ?
C54 C53 C52 121.1(18) . . ?
C54 C53 H53 119.4 . . ?
C43 C42 H42 119.2 . . ?
C41 C42 C43 121.7(19) . . ?
C41 C42 H42 119.2 . . ?
C11 C2AA H2AA 119.8 . . ?
C11 C2AA C13 120.5(15) . . ?
C13 C2AA H2AA 119.8 . . ?
C42 C41 H41 120.2 . . ?
C40 C41 C42 120(2) . . ?
C40 C41 H41 120.2 . . ?
C29 C30 H30 119.4 . . ?
C31 C30 C29 121.2(16) . . ?
C31 C30 H30 119.4 . . ?
C52 C57 H57 120.3 . . ?
C52 C57 C56 119.3(16) . . ?
C56 C57 H57 120.3 . . ?
C9 C14 H14 118.4 . . ?
C9 C14 C13 123.2(14) . . ?
C13 C14 H14 118.4 . . ?
C46 C47 C48 122.7(15) . . ?
C46 C47 H47 118.6 . . ?
C48 C47 H47 118.6 . . ?
C39 C40 H40 119.6 . . ?
C41 C40 C39 120.8(19) . . ?
C41 C40 H40 119.6 . . ?
C60 C61 H61 119.5 . . ?
C60 C61 C62 121.0(16) . . ?
C62 C61 H61 119.5 . . ?
C23 C27 H27 121.8 . . ?
C23 C27 C2 116(2) . . ?
C2 C27 H27 121.8 . . ?
C4AA C19 H19 121.5 . . ?
C3AA C19 C4AA 117.0(19) . . ?
C3AA C19 H19 121.5 . . ?
C59 C60 H60 119.7 . . ?
C61 C60 C59 120.5(17) . . ?
C61 C60 H60 119.7 . . ?
C6AA C32 H32 119.4 . . ?
C31 C32 C6AA 121.2(18) . . ?
C31 C32 H32 119.4 . . ?
C2 C25 H25 115.6 . . ?
C2 C25 C7 129(3) . . ?
C7 C25 H25 115.6 . . ?
C30 C31 H31 120.4 . . ?
C32 C31 C30 119.3(17) . . ?
C32 C31 H31 120.4 . . ?
C63 C62 H62 120.5 . . ?
C61 C62 C63 119.0(17) . . ?
C61 C62 H62 120.5 . . ?
C19 C3AA H3AA 117.4 . . ?
C19 C3AA C17 125.2(18) . . ?
C17 C3AA H3AA 117.4 . . ?
C53 C54 H54 120.0 . . ?
C55 C54 C53 119.9(19) . . ?
C55 C54 H54 120.0 . . ?
C2AA C13 C14 118.4(15) . . ?
C2AA C13 H13 120.8 . . ?
C14 C13 H13 120.8 . . ?
C16 C17 C3AA 114.9(19) . . ?
C16 C17 H17 122.6 . . ?
C3AA C17 H17 122.6 . . ?
C54 C55 H55 120.0 . . ?
C54 C55 C56 120.0(18) . . ?
C56 C55 H55 120.0 . . ?
C57 C56 H56 119.9 . . ?
C55 C56 C57 120(2) . . ?
C55 C56 H56 119.9 . . ?
C27 C2 H2 120.5 . . ?
C25 C2 C27 119(3) . . ?
C25 C2 H2 120.5 . . ?
C24 C7 C25 110(2) . . ?
C24 C7 H7 125.0 . . ?
C25 C7 H7 125.0 . . ?

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
Mo9 Mo10 O21 Mo11 -48.0(9) . . . . ?
Mo9 Mo10 O20 Mo8 -45.0(3) . . . . ?
Mo9 Mo8 O14 Mo2 -103.6(7) . . . . ?
Mo10 Mo8 O14 Mo2 -55.2(8) . . . . ?
Mo6 Mo11 O24 Mo12 -98.7(7) . . . . ?
Mo6 Mo7 O23 Mo11 -41.1(3) . . . . ?
Mo8 Mo10 O21 Mo11 -96.9(8) . . . . ?
Mo1 Mo2 O11 Mo7 -92.9(8) . . . . ?
Mo1 Mo3 O16 Mo9 -44.8(9) . . . . ?
Mo1 Mo3 O3 Mo2 -41.8(3) . . . . ?
Mo11 Mo6 O9 Mo1 -53.6(7) . . . . ?
Mo5 Mo12 O26 Mo4 -46.7(3) . . . . ?
Mo5 Mo12 O27 Mo10 -49.1(9) . . . . ?
Mo5 Mo4 O5 Mo3 -101.8(7) . . . . ?
Mo13 N9 C64 C74 -11.3(11) . . . . ?
Mo13 N9 C64 C65 166.7(8) . . . . ?
Mo13 N9 C67 C66 -164.9(9) . . . . ?
Mo13 N1 C1 C58 -5.5(11) . . . . ?
Mo13 N1 C1 C0AA 177.5(8) . . . . ?
Mo13 N1 C51 C50 -178.6(7) . . . . ?
Mo12 Mo4 O5 Mo3 -52.6(8) . . . . ?
Mo7 Mo6 O9 Mo1 -102.5(6) . . . . ?
Mo7 Mo11 O22 Mo6 -46.9(3) . . . . ?
Mo7 Mo11 O24 Mo12 -50.8(8) . . . . ?
Mo16 N6 C6 C5 173.1(7) 1_454 . . . ?
Mo16 N6 C6 C9 -5.8(12) 1_454 . . . ?
Mo16 N6 C1AA C8 -177.2(7) 1_454 . . . ?
Mo16 N10 C65 C64 162.2(8) . . . . ?
Mo16 N10 C65 C68 -16.5(13) . . . . ?
Mo16 N10 C66 C67 -160.6(9) . . . . ?
Mo4 Mo5 O25 Mo12 -41.8(3) . . . . ?
Mo4 Mo12 O27 Mo10 -97.3(8) . . . . ?
Mo2 Mo1 O4 Mo3 -47.2(3) . . . . ?
Mo2 Mo1 O7 Mo5 -43.6(8) . . . . ?
Mo2 Mo1 O40 Mo13 -165.02(14) . . . . ?
Mo2 Mo3 O16 Mo9 -96.3(8) . . . . ?
Mo15 N5 C5 C6 173.0(7) . . . . ?
Mo15 N5 C5 C15 -4.8(13) . . . . ?
Mo15 N5 C8 C1AA -176.9(7) . . . . ?
Mo15 N4 C4 C3 -157.2(8) . . . . ?
Mo15 N4 C4 C23 18.1(14) . . . . ?
Mo15 N4 C5AA C22 158.1(8) . . . . ?
Mo14 N3 C22 C5AA 178.1(8) . . . . ?
Mo14 N3 C3 C4 -175.2(8) . . . . ?
Mo14 N3 C3 C28 7.6(12) . . . . ?
Mo14 N2 C50 C51 -172.4(7) . . . . ?
Mo14 N2 C0AA C1 170.9(8) . . . . ?
Mo14 N2 C0AA C52 -7.6(14) . . . . ?
Mo14 N7 C37 C36 156.9(10) . . . . ?
Mo14 N7 C34 C44 16.5(12) . . . . ?
Mo14 N7 C34 C7AA -157.8(8) . . . . ?
Mo3 Mo1 O7 Mo5 -93.7(7) . . . . ?
Mo3 Mo1 O40 Mo13 -87.3(4) . . . . ?
Mo3 Mo2 O2 Mo1 -44.1(3) . . . . ?
Mo3 Mo2 O11 Mo7 -42.4(9) . . . . ?
O6 Mo5 O25 Mo12 3.3(3) . . . . ?
O6 Mo12 O26 Mo4 -0.9(3) . . . . ?
O6 Mo12 O27 Mo10 -53.3(8) . . . . ?
O6 Mo4 O5 Mo3 -57.5(7) . . . . ?
O6 Si1 O10 Mo6 61.4(4) . . . . ?
O6 Si1 O10 Mo11 -58.8(4) . . . . ?
O6 Si1 O10 Mo7 -179.1(3) . . . . ?
O6 Si1 O1 Mo1 -57.1(4) . . . . ?
O6 Si1 O1 Mo2 -176.7(3) . . . . ?
O6 Si1 O1 Mo3 63.8(4) . . . . ?
O6 Si1 O15 Mo9 -57.9(5) . . . . ?
O6 Si1 O15 Mo10 62.3(4) . . . . ?
O6 Si1 O15 Mo8 -177.5(3) . . . . ?
O21 Mo10 O20 Mo8 85.4(4) . . . . ?
O21 Mo11 O22 Mo6 -2.4(10) . . . . ?
O21 Mo11 O24 Mo12 29.9(7) . . . . ?
O10 Mo6 O9 Mo1 -57.3(6) . . . . ?
O10 Mo11 O22 Mo6 -1.0(3) . . . . ?
O10 Mo11 O24 Mo12 -54.8(7) . . . . ?
O10 Mo7 O23 Mo11 3.4(3) . . . . ?
O10 Si1 O6 Mo5 -57.3(5) . . . . ?
O10 Si1 O6 Mo12 63.0(4) . . . . ?
O10 Si1 O6 Mo4 -177.9(3) . . . . ?
O10 Si1 O1 Mo1 62.3(4) . . . . ?
O10 Si1 O1 Mo2 -57.3(4) . . . . ?
O10 Si1 O1 Mo3 -176.8(3) . . . . ?
O10 Si1 O15 Mo9 -177.9(3) . . . . ?
O10 Si1 O15 Mo10 -57.7(4) . . . . ?
O10 Si1 O15 Mo8 62.5(4) . . . . ?
O1 Mo1 O4 Mo3 -1.0(3) . . . . ?
O1 Mo1 O7 Mo5 -49.3(7) . . . . ?
O1 Mo1 O40 Mo13 -142.0(12) . . . . ?
O1 Mo2 O2 Mo1 0.8(3) . . . . ?
O1 Mo2 O11 Mo7 -49.6(8) . . . . ?
O1 Mo3 O16 Mo9 -51.7(8) . . . . ?
O1 Mo3 O3 Mo2 2.4(3) . . . . ?
O1 Si1 O6 Mo5 62.5(5) . . . . ?
O1 Si1 O6 Mo12 -177.2(3) . . . . ?
O1 Si1 O6 Mo4 -58.1(4) . . . . ?
O1 Si1 O10 Mo6 -58.0(4) . . . . ?
O1 Si1 O10 Mo11 -178.1(3) . . . . ?
O1 Si1 O10 Mo7 61.5(4) . . . . ?
O1 Si1 O15 Mo9 61.8(4) . . . . ?
O1 Si1 O15 Mo10 -178.0(3) . . . . ?
O1 Si1 O15 Mo8 -57.8(4) . . . . ?
O13 Mo8 O14 Mo2 26.6(7) . . . . ?
O13 Mo7 O23 Mo11 88.6(4) . . . . ?
O22 Mo6 O9 Mo1 -48.2(11) . . . . ?
O22 Mo11 O24 Mo12 -128.0(8) . . . . ?
O20 Mo10 O21 Mo11 -128.5(8) . . . . ?
O20 Mo8 O14 Mo2 -47.1(12) . . . . ?
O12 Mo6 O9 Mo1 -132.1(7) . . . . ?
O12 Mo7 O23 Mo11 -69.8(4) . . . . ?
O2 Mo1 O4 Mo3 -75.8(4) . . . . ?
O2 Mo1 O7 Mo5 -29.2(14) . . . . ?
O2 Mo1 O40 Mo13 -168.6(3) . . . . ?
O2 Mo2 O11 Mo7 -124.3(8) . . . . ?
O17 Mo4 O5 Mo3 27.1(7) . . . . ?
O34 Mo6 O9 Mo1 127.3(6) . . . . ?
O25 Mo12 O26 Mo4 -74.3(4) . . . . ?
O25 Mo12 O27 Mo10 -35.2(14) . . . . ?
O24 Mo11 O22 Mo6 84.4(4) . . . . ?
O24 Mo12 O26 Mo4 -1.9(10) . . . . ?
O24 Mo12 O27 Mo10 30.8(8) . . . . ?
O16 Mo3 O3 Mo2 87.7(4) . . . . ?
O19 Mo10 O21 Mo11 -27.0(13) . . . . ?
O19 Mo10 O20 Mo8 -73.4(4) . . . . ?
O23 Mo11 O22 Mo6 -74.6(4) . . . . ?
O23 Mo11 O24 Mo12 -36.7(13) . . . . ?
O26 Mo12 O27 Mo10 -127.2(8) . . . . ?
O26 Mo4 O5 Mo3 -45.0(12) . . . . ?
O5 Mo3 O16 Mo9 31.7(8) . . . . ?
O5 Mo3 O3 Mo2 2.3(10) . . . . ?
O15 Mo10 O21 Mo11 -53.2(8) . . . . ?
O15 Mo10 O20 Mo8 0.5(3) . . . . ?
O15 Mo8 O14 Mo2 -58.8(7) . . . . ?
O15 Si1 O6 Mo5 -177.7(4) . . . . ?
O15 Si1 O6 Mo12 -57.4(5) . . . . ?
O15 Si1 O6 Mo4 61.8(4) . . . . ?
O15 Si1 O10 Mo6 -177.9(3) . . . . ?
O15 Si1 O10 Mo11 61.9(4) . . . . ?
O15 Si1 O10 Mo7 -58.5(4) . . . . ?
O15 Si1 O1 Mo1 -177.5(3) . . . . ?
O15 Si1 O1 Mo2 62.9(4) . . . . ?
O15 Si1 O1 Mo3 -56.6(4) . . . . ?
O27 Mo10 O21 Mo11 30.8(8) . . . . ?
O27 Mo10 O20 Mo8 4.6(10) . . . . ?
O27 Mo12 O26 Mo4 84.3(4) . . . . ?
O9 Mo1 O4 Mo3 -8.9(10) . . . . ?
O9 Mo1 O7 Mo5 35.0(7) . . . . ?
O9 Mo1 O40 Mo13 105.4(3) . . . . ?
O18 Mo8 O14 Mo2 -132.6(7) . . . . ?
O14 Mo2 O2 Mo1 -0.8(10) . . . . ?
O14 Mo2 O11 Mo7 33.3(8) . . . . ?
O11 Mo7 O23 Mo11 16.2(9) . . . . ?
O11 Mo2 O2 Mo1 85.5(4) . . . . ?
O4 Mo1 O7 Mo5 -124.1(7) . . . . ?
O4 Mo1 O40 Mo13 -81.2(4) . . . . ?
O4 Mo3 O16 Mo9 -33.5(13) . . . . ?
O4 Mo3 O3 Mo2 -70.5(4) . . . . ?
O8 Mo6 O9 Mo1 27.7(7) . . . . ?
O8 Mo5 O25 Mo12 87.2(4) . . . . ?
O30 Mo10 O21 Mo11 129.1(8) . . . . ?
O30 Mo10 O20 Mo8 -173.0(4) . . . . ?
O35 Mo5 O25 Mo12 -70.1(4) . . . . ?
O35 Mo4 O5 Mo3 -131.2(7) . . . . ?
O7 Mo1 O4 Mo3 86.0(4) . . . . ?
O7 Mo1 O40 Mo13 16.3(4) . . . . ?
O7 Mo5 O25 Mo12 11.1(10) . . . . ?
O32 Mo8 O14 Mo2 127.8(7) . . . . ?
O29 Mo11 O22 Mo6 -172.4(4) . . . . ?
O29 Mo11 O24 Mo12 130.5(8) . . . . ?
O40 Mo1 O4 Mo3 -170.6(4) . . . . ?
O40 Mo1 O7 Mo5 134.9(7) . . . . ?
O3 Mo2 O2 Mo1 -71.6(4) . . . . ?
O3 Mo2 O11 Mo7 -25.7(13) . . . . ?
O3 Mo3 O16 Mo9 -126.4(8) . . . . ?
O36 Mo5 O25 Mo12 -170.6(4) . . . . ?
O28 Mo12 O26 Mo4 -172.7(4) . . . . ?
O28 Mo12 O27 Mo10 131.1(8) . . . . ?
O33 Mo7 O23 Mo11 -171.2(4) . . . . ?
O37 Mo4 O5 Mo3 127.9(7) . . . . ?
O39 Mo2 O2 Mo1 -171.1(4) . . . . ?
O39 Mo2 O11 Mo7 133.6(8) . . . . ?
O38 Mo3 O16 Mo9 132.0(8) . . . . ?
O38 Mo3 O3 Mo2 -169.9(4) . . . . ?
N6 C6 C5 N5 7.2(15) . . . . ?
N6 C6 C5 C15 -175.2(10) . . . . ?
N6 C6 C9 C10 127.4(12) . . . . ?
N6 C6 C9 C14 -53.4(17) . . . . ?
N5 C5 C15 C16 -54.2(16) . . . . ?
N5 C5 C15 C4AA 123.4(12) . . . . ?
N5 C8 C1AA N6 1.3(16) . . . . ?
N3 C22 C5AA N4 -2.9(18) . . . . ?
N3 C3 C4 N4 -3.4(16) . . . . ?
N3 C3 C4 C23 -178.3(12) . . . . ?
N3 C3 C28 C29 -127.3(12) . . . . ?
N3 C3 C28 C6AA 51.1(14) . . . . ?
N9 C64 C65 N10 1.2(17) . . . . ?
N9 C64 C65 C68 179.8(11) . . . . ?
N9 C67 C66 N10 -2(2) . . . . ?
N2 C0AA C52 C53 119.0(13) . . . . ?
N2 C0AA C52 C57 -60.6(17) . . . . ?
N10 C65 C68 C69 135.3(11) . . . . ?
N10 C65 C68 C73 -42.0(16) . . . . ?
N1 C1 C58 C59 -65.9(13) . . . . ?
N1 C1 C58 C63 115.1(12) . . . . ?
N1 C1 C0AA N2 2.0(16) . . . . ?
N1 C1 C0AA C52 -179.6(11) . . . . ?
N1 C51 C50 N2 0.3(15) . . . . ?
N4 C4 C23 C24 -111.4(14) . . . . ?
N4 C4 C23 C27 64.3(17) . . . . ?
N7 C37 C36 N8 0(2) . . . . ?
N7 C34 C7AA N8 -1.3(17) . . . . ?
N7 C34 C7AA C38 -177.0(11) . . . . ?
N8 C7AA C38 C39 -123.1(15) . . . . ?
N8 C7AA C38 C43 54.6(18) . . . . ?
C6 N6 C1AA C8 2.3(15) . . . . ?
C6 C5 C15 C16 128.1(13) . . . . ?
C6 C5 C15 C4AA -54.3(17) . . . . ?
C6 C9 C10 C11 -175.6(13) . . . . ?
C6 C9 C14 C13 174.7(16) . . . . ?
C74 C64 C65 N10 179.1(10) . . . . ?
C74 C64 C65 C68 -2.4(18) . . . . ?
C74 C75 C76 C77 1.8(18) . . . . ?
C74 C79 C78 C77 -3(2) . . . . ?
C5 N5 C8 C1AA -0.6(15) . . . . ?
C5 C6 C9 C10 -51.4(17) . . . . ?
C5 C6 C9 C14 127.7(14) . . . . ?
C5 C15 C16 C17 -179.5(14) . . . . ?
C5 C15 C4AA C19 179.3(14) . . . . ?
C8 N5 C5 C6 -3.5(15) . . . . ?
C8 N5 C5 C15 178.7(10) . . . . ?
C1 N1 C51 C50 0.2(13) . . . . ?
C1 C58 C59 C60 178.4(12) . . . . ?
C1 C58 C63 C62 -178.5(13) . . . . ?
C1 C0AA C52 C53 -59.5(18) . . . . ?
C1 C0AA C52 C57 120.9(14) . . . . ?
C64 N9 C67 C66 0.4(17) . . . . ?
C64 C74 C75 C76 173.3(10) . . . . ?
C64 C74 C79 C78 -172.8(11) . . . . ?
C64 C65 C68 C69 -43.3(18) . . . . ?
C64 C65 C68 C73 139.4(12) . . . . ?
C51 N1 C1 C58 175.7(8) . . . . ?
C51 N1 C1 C0AA -1.3(14) . . . . ?
C50 N2 C0AA C1 -1.4(16) . . . . ?
C50 N2 C0AA C52 -179.9(10) . . . . ?
C67 N9 C64 C74 -178.0(9) . . . . ?
C67 N9 C64 C65 0.1(16) . . . . ?
C58 C1 C0AA N2 -174.7(10) . . . . ?
C58 C1 C0AA C52 3.7(18) . . . . ?
C58 C59 C60 C61 1(2) . . . . ?
C58 C63 C62 C61 -1(3) . . . . ?
C1AA N6 C6 C5 -6.4(15) . . . . ?
C1AA N6 C6 C9 174.7(9) . . . . ?
C22 N3 C3 C4 1.2(15) . . . . ?
C22 N3 C3 C28 -176.0(10) . . . . ?
C9 C6 C5 N5 -174.0(10) . . . . ?
C9 C6 C5 C15 3.6(17) . . . . ?
C9 C10 C11 C2AA -1(2) . . . . ?
C9 C14 C13 C2AA 3(3) . . . . ?
C75 C74 C64 N9 -48.5(14) . . . . ?
C75 C74 C64 C65 133.5(12) . . . . ?
C75 C74 C79 C78 2.1(17) . . . . ?
C75 C76 C77 C78 -2(2) . . . . ?
C69 C70 C71 C72 1(2) . . . . ?
C69 C68 C73 C72 -4.3(19) . . . . ?
C79 C74 C64 N9 126.3(11) . . . . ?
C79 C74 C64 C65 -51.7(16) . . . . ?
C79 C74 C75 C76 -1.7(16) . . . . ?
C79 C78 C77 C76 3(2) . . . . ?
C15 C16 C17 C3AA 0(3) . . . . ?
C15 C4AA C19 C3AA 0(3) . . . . ?
C70 C69 C68 C65 -173.5(12) . . . . ?
C70 C69 C68 C73 3.9(18) . . . . ?
C70 C71 C72 C73 -1(3) . . . . ?
C65 N10 C66 C67 3.5(19) . . . . ?
C65 C68 C73 C72 173.1(13) . . . . ?
C68 C69 C70 C71 -2(2) . . . . ?
C68 C73 C72 C71 3(2) . . . . ?
C3 N3 C22 C5AA 1.9(16) . . . . ?
C3 C4 C23 C24 63.6(17) . . . . ?
C3 C4 C23 C27 -120.7(16) . . . . ?
C3 C28 C29 C30 175.5(11) . . . . ?
C3 C28 C6AA C32 -175.9(12) . . . . ?
C4 N4 C5AA C22 0.6(16) . . . . ?
C4 C3 C28 C29 55.6(15) . . . . ?
C4 C3 C28 C6AA -126.0(12) . . . . ?
C4 C23 C24 C7 176.4(14) . . . . ?
C4 C23 C27 C2 -173.9(14) . . . . ?
C37 N7 C34 C44 176.7(10) . . . . ?
C37 N7 C34 C7AA 2.4(16) . . . . ?
C0AA N2 C50 C51 0.3(15) . . . . ?
C0AA C1 C58 C59 111.0(13) . . . . ?
C0AA C1 C58 C63 -68.0(15) . . . . ?
C0AA C52 C53 C54 176.7(14) . . . . ?
C0AA C52 C57 C56 -177.9(13) . . . . ?
C66 N10 C65 C64 -3.0(17) . . . . ?
C66 N10 C65 C68 178.3(11) . . . . ?
C44 C34 C7AA N8 -175.0(10) . . . . ?
C44 C34 C7AA C38 9.3(19) . . . . ?
C44 C45 C46 C47 -1.6(17) . . . . ?
C44 C49 C48 C47 3(2) . . . . ?
C34 N7 C37 C36 -1.8(18) . . . . ?
C34 C44 C45 C46 -175.6(10) . . . . ?
C34 C44 C49 C48 174.7(12) . . . . ?
C34 C7AA C38 C39 53(2) . . . . ?
C34 C7AA C38 C43 -129.7(14) . . . . ?
C5AA N4 C4 C3 2.4(16) . . . . ?
C5AA N4 C4 C23 177.8(11) . . . . ?
C28 C3 C4 N4 173.6(10) . . . . ?
C28 C3 C4 C23 -1.3(18) . . . . ?
C28 C29 C30 C31 0(2) . . . . ?
C28 C6AA C32 C31 0(3) . . . . ?
C45 C44 C34 N7 45.7(14) . . . . ?
C45 C44 C34 C7AA -140.3(12) . . . . ?
C45 C44 C49 C48 -3.4(18) . . . . ?
C45 C46 C47 C48 1(2) . . . . ?
C7AA N8 C36 C37 1(2) . . . . ?
C7AA C38 C39 C40 -177.2(16) . . . . ?
C7AA C38 C43 C42 180.0(16) . . . . ?
C49 C44 C34 N7 -132.4(12) . . . . ?
C49 C44 C34 C7AA 41.6(17) . . . . ?
C49 C44 C45 C46 2.6(16) . . . . ?
C49 C48 C47 C46 -2(2) . . . . ?
C29 C28 C6AA C32 3(2) . . . . ?
C29 C30 C31 C32 3(3) . . . . ?
C23 C24 C7 C25 -3(3) . . . . ?
C23 C27 C2 C25 -1(3) . . . . ?
C52 C53 C54 C55 2(3) . . . . ?
C52 C57 C56 C55 0(3) . . . . ?
C6AA C28 C29 C30 -2.9(19) . . . . ?
C6AA C32 C31 C30 -3(3) . . . . ?
C38 C39 C40 C41 -5(3) . . . . ?
C38 C43 C42 C41 -1(3) . . . . ?
C59 C58 C63 C62 3(2) . . . . ?
C36 N8 C7AA C34 -0.5(18) . . . . ?
C36 N8 C7AA C38 175.4(13) . . . . ?
C16 C15 C4AA C19 -3(2) . . . . ?
C10 C9 C14 C13 -6(3) . . . . ?
C10 C11 C2AA C13 -3(3) . . . . ?
C63 C58 C59 C60 -2.6(19) . . . . ?
C4AA C15 C16 C17 3(2) . . . . ?
C4AA C19 C3AA C17 3(3) . . . . ?
C39 C38 C43 C42 -2(2) . . . . ?
C24 C23 C27 C2 2(2) . . . . ?
C11 C2AA C13 C14 2(3) . . . . ?
C43 C38 C39 C40 5(2) . . . . ?
C43 C42 C41 C40 2(3) . . . . ?
C53 C52 C57 C56 2(2) . . . . ?
C53 C54 C55 C56 0(3) . . . . ?
C42 C41 C40 C39 1(3) . . . . ?
C57 C52 C53 C54 -4(2) . . . . ?
C14 C9 C10 C11 5(2) . . . . ?
C27 C23 C24 C7 1(3) . . . . ?
C19 C3AA C17 C16 -3(3) . . . . ?
C60 C61 C62 C63 -1(3) . . . . ?
C62 C61 C60 C59 0(3) . . . . ?
C54 C55 C56 C57 -1(3) . . . . ?
C2 C25 C7 C24 4(3) . . . . ?
C7 C25 C2 C27 -2(4) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'



####################################################################### 
# 
# 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_compound-3
_database_code_depnum_ccdc_archive 'CCDC 1481871'
_audit_update_record             
;
2016-07-12 deposited with the CCDC.
2016-07-28 downloaded from the CCDC.
;
_audit_creation_date             2016-07-05
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C60 H42 Ag3 N6, 2(Mo6 O20 P0.5)'
_chemical_formula_sum            'C60 H42 Ag3 Mo12 N6 O40 P'
_chemical_formula_weight         2992.85
_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'
Ag Ag -0.8971 1.1015 '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                   13.1098(10)
_cell_length_b                   13.9600(11)
_cell_length_c                   24.0311(18)
_cell_angle_alpha                103.422(2)
_cell_angle_beta                 98.057(2)
_cell_angle_gamma                98.163(2)
_cell_volume                     4165.5(6)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2379
_cell_measurement_temperature    293
_cell_measurement_theta_max      21.65
_cell_measurement_theta_min      2.40
_shelx_estimated_absorpt_T_max   0.734
_shelx_estimated_absorpt_T_min   0.644
_exptl_absorpt_coefficient_mu    2.536
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    2.386
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2848
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.13
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0671
_diffrn_reflns_av_unetI/netI     0.1765
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            31190
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.343
_diffrn_reflns_theta_min         0.886
_diffrn_ambient_temperature      293.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_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                8815
_reflns_number_total             20653
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SMART (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT+ (Bruker, 1999)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         1.867
_refine_diff_density_min         -1.818
_refine_diff_density_rms         0.195
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1138
_refine_ls_number_reflns         20653
_refine_ls_number_restraints     1246
_refine_ls_R_factor_all          0.1996
_refine_ls_R_factor_gt           0.0758
_refine_ls_restrained_S_all      2.911
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0690P)²+4.0009P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1508
_refine_ls_wR_factor_ref         0.2004
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 O25-Ag2_$1
 2.757 with sigma of 0.02
3. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4. Others
 Fixed Sof: O1(0.5) O1'(0.5) O2'(0.5) O2(0.5) O21'(0.5) O21(0.5) O22'(0.5)
 O22(0.5)
5.a Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C7(H7), C10(H10), C11(H11), C12(H12), C13(H13),
 C14(H14), C16(H16), C17(H17), C18(H18), C19(H19), C20(H20), C24(H24), C25(H25),
  C26(H26), C27(H27), C30(H30), C31(H31), C32(H32), C33(H33), C34(H34),
 C36(H36), C37(H37), C38(H38), C39(H39), C40(H40), C44(H44), C45(H45), C46(H46),
  C47(H47), C50(H50), C51(H51), C52(H52), C53(H53), C54(H54), C56(H56),
 C57(H57), C58(H58), C59(H59), C60(H60)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
Ag1 Ag 1.43142(9) -0.25496(9) 0.24515(6) 0.0672(4) Uani 1 1 d . U . . .
Mo1 Mo 0.76406(9) 0.05816(11) 0.43571(5) 0.0550(4) Uani 1 1 d . U . . .
P1 P 1.0000 0.0000 0.5000 0.0307(10) Uani 1 2 d S TU P . .
O1 O 1.1178(11) 0.0479(11) 0.5301(6) 0.032(3) Uani 0.5 1 d . U . . .
O1' O 0.9555(13) 0.0855(14) 0.4779(7) 0.050(3) Uani 0.5 1 d . U . . .
N1 N 1.3131(8) -0.1675(8) 0.2306(5) 0.046(2) Uani 1 1 d . U . . .
C1 C 1.2329(10) -0.2143(10) 0.1869(6) 0.047(3) Uani 1 1 d . U . . .
Mo2 Mo 0.96077(10) 0.25182(9) 0.53085(5) 0.0459(3) Uani 1 1 d . U . . .
O2' O 0.9920(11) -0.0877(11) 0.4542(6) 0.027(3) Uani 0.5 1 d . U . . .
O2 O 0.9441(11) -0.0146(12) 0.5506(6) 0.034(3) Uani 0.5 1 d . U . . .
Ag2 Ag 1.02765(9) 0.00711(9) 0.17315(7) 0.0788(4) Uani 1 1 d D U . . .
N2 N 1.1491(8) -0.0708(8) 0.2047(5) 0.046(2) Uani 1 1 d . U . . .
C2 C 1.1465(10) -0.1669(10) 0.1742(6) 0.045(3) Uani 1 1 d . U . . .
P2 P 0.5000 0.0000 0.0000 0.0412(12) Uani 1 2 d S TU P . .
Mo3 Mo 0.91575(9) 0.10504(9) 0.63159(4) 0.0389(3) Uani 1 1 d . U . . .
O3 O 0.6556(7) 0.0845(8) 0.4032(4) 0.067(3) Uani 1 1 d . U . . .
Ag3 Ag 0.71676(11) 0.36247(11) 0.29069(6) 0.0834(5) Uani 1 1 d . U . . .
C3 C 1.2339(10) -0.0192(10) 0.2460(6) 0.047(3) Uani 1 1 d . U . . .
N3 N 0.9309(8) 0.1133(8) 0.2097(4) 0.042(2) Uani 1 1 d . U . . .
Mo4 Mo 0.75498(9) -0.10709(10) 0.52811(6) 0.0526(3) Uani 1 1 d . U . . .
O4 O 0.7417(8) -0.2731(8) 0.3383(4) 0.073(3) Uani 1 1 d . U . . .
C4 C 1.2381(12) 0.0790(11) 0.2768(6) 0.063(4) Uani 1 1 d . U . . .
H4 H 1.1833 0.1124 0.2691 0.075 Uiso 1 1 calc R . . . .
N4 N 0.8131(8) 0.2496(8) 0.2578(4) 0.041(2) Uani 1 1 d . U . . .
Mo5 Mo 1.00612(9) 0.13273(10) 0.39050(5) 0.0474(3) Uani 1 1 d . U . . .
O5 O 1.0136(8) 0.2017(7) 0.3435(4) 0.063(3) Uani 1 1 d . U . . .
N5 N 0.6272(8) 0.4797(8) 0.2738(5) 0.045(3) Uani 1 1 d . U . . .
C5 C 1.3230(13) 0.1258(13) 0.3180(7) 0.074(4) Uani 1 1 d . U . . .
H5 H 1.3274 0.1927 0.3371 0.089 Uiso 1 1 calc R . . . .
Mo6 Mo 0.82404(9) -0.18469(9) 0.38783(5) 0.0426(3) Uani 1 1 d . U . . .
O6 O 0.8847(7) 0.1566(8) 0.6946(4) 0.066(3) Uani 1 1 d . U . . .
N6 N 0.5203(7) 0.6306(7) 0.2567(5) 0.042(2) Uani 1 1 d . U . . .
C6 C 1.4038(12) 0.0766(13) 0.3329(7) 0.070(4) Uani 1 1 d . U . . .
H6 H 1.4606 0.1104 0.3619 0.083 Uiso 1 1 calc R . . . .
O7 O 0.9368(9) 0.3668(8) 0.5468(5) 0.087(3) Uani 1 1 d . U . . .
C7 C 1.3998(11) -0.0188(12) 0.3055(7) 0.063(4) Uani 1 1 d . U . . .
H7 H 1.4532 -0.0515 0.3165 0.075 Uiso 1 1 calc R . . . .
Mo7 Mo 0.46632(11) 0.25234(9) 0.01164(5) 0.0539(4) Uani 1 1 d . U . . .
C8 C 1.3160(10) -0.0714(10) 0.2602(6) 0.046(3) Uani 1 1 d . U . . .
Mo8 Mo 0.51889(12) 0.16609(9) 0.13962(5) 0.0607(4) Uani 1 1 d . U . . .
O8 O 0.6401(7) -0.1513(8) 0.5414(4) 0.065(3) Uani 1 1 d . U . . .
Mo9 Mo 0.50954(13) -0.09544(11) 0.12456(5) 0.0740(5) Uani 1 1 d . U . . .
O9 O 0.9092(7) -0.2647(7) 0.4261(4) 0.057(2) Uani 1 1 d . U . . .
C9 C 1.2382(11) -0.3165(11) 0.1538(7) 0.061(3) Uani 1 1 d . U . . .
Mo10 Mo 0.71748(9) 0.00667(9) -0.07238(6) 0.0514(3) Uani 1 1 d . U . . .
O10 O 1.0705(6) 0.1576(7) 0.6497(4) 0.056(2) Uani 1 1 d . U . . .
C10 C 1.2071(18) -0.3923(13) 0.1764(10) 0.126(8) Uani 1 1 d . U . . .
H10 H 1.1817 -0.3804 0.2111 0.151 Uiso 1 1 calc R . . . .
Mo11 Mo 0.74092(9) -0.05038(10) 0.06494(5) 0.0478(3) Uani 1 1 d . U . . .
O11 O 0.8220(8) 0.1761(10) 0.4880(4) 0.086(3) Uani 1 1 d . U . . .
C11 C 1.213(2) -0.4883(16) 0.1475(12) 0.166(12) Uani 1 1 d . U . . .
H11 H 1.1869 -0.5421 0.1612 0.200 Uiso 1 1 calc R . . . .
Mo12 Mo 0.71904(9) 0.19713(8) 0.05537(5) 0.0384(3) Uani 1 1 d . U . . .
O12 O 0.8667(8) 0.0966(9) 0.3874(4) 0.081(3) Uani 1 1 d . U . . .
C12 C 1.2589(18) -0.5051(15) 0.0979(11) 0.125(8) Uani 1 1 d . U . . .
H12 H 1.2637 -0.5698 0.0784 0.150 Uiso 1 1 calc R . . . .
O13 O 0.7581(9) -0.1864(9) 0.4583(4) 0.087(3) Uani 1 1 d . U . . .
C13 C 1.2958(13) -0.4263(12) 0.0787(8) 0.083(5) Uani 1 1 d . U . . .
H13 H 1.3302 -0.4362 0.0471 0.099 Uiso 1 1 calc R . . . .
O14 O 1.1558(8) 0.1612(7) 0.4300(5) 0.078(3) Uani 1 1 d . U . . .
C14 C 1.2835(11) -0.3309(11) 0.1051(7) 0.061(4) Uani 1 1 d . U . . .
H14 H 1.3056 -0.2773 0.0902 0.073 Uiso 1 1 calc R . . . .
O15 O 0.7173(9) -0.0049(9) 0.4873(5) 0.086(3) Uani 1 1 d . U . . .
C15 C 1.0479(11) -0.2206(10) 0.1358(7) 0.054(3) Uani 1 1 d . U . . .
O16 O 1.0281(7) 0.0128(8) 0.3504(5) 0.077(3) Uani 1 1 d . U . . .
C16 C 0.9582(11) -0.2344(10) 0.1607(7) 0.058(3) Uani 1 1 d . U . . .
H16 H 0.9616 -0.2100 0.2004 0.070 Uiso 1 1 calc R . . . .
O17 O 1.0031(8) 0.2403(9) 0.4616(4) 0.080(3) Uani 1 1 d . U . . .
C17 C 0.8652(13) -0.2845(12) 0.1253(8) 0.074(4) Uani 1 1 d . U . . .
H17 H 0.8054 -0.2949 0.1414 0.089 Uiso 1 1 calc R . . . .
O18 O 0.9058(7) 0.2010(7) 0.5932(4) 0.058(2) Uani 1 1 d . U . . .
C18 C 0.8596(14) -0.3184(13) 0.0681(9) 0.084(5) Uani 1 1 d . U . . .
H18 H 0.7959 -0.3506 0.0444 0.101 Uiso 1 1 calc R . . . .
O19 O 0.7980(7) 0.0181(7) 0.5929(5) 0.070(3) Uani 1 1 d . U . . .
C19 C 0.9489(14) -0.3055(14) 0.0444(8) 0.090(5) Uani 1 1 d . U . . .
H19 H 0.9453 -0.3310 0.0047 0.109 Uiso 1 1 calc R . . . .
O20 O 0.7677(9) -0.0739(9) 0.3858(4) 0.085(3) Uani 1 1 d . U . . .
C20 C 1.0436(13) -0.2553(13) 0.0788(7) 0.075(4) Uani 1 1 d . U . . .
H20 H 1.1032 -0.2458 0.0624 0.090 Uiso 1 1 calc R . . . .
C21 C 0.9602(10) 0.2090(9) 0.2142(5) 0.043(3) Uani 1 1 d . U . . .
O21' O 0.4392(12) 0.0741(12) -0.0288(6) 0.040(3) Uani 0.5 1 d . U . . .
O21 O 0.4545(12) 0.0171(12) 0.0604(7) 0.044(3) Uani 0.5 1 d . U . . .
C22 C 0.9006(11) 0.2820(10) 0.2395(5) 0.047(3) Uani 1 1 d . U . . .
O22' O 0.4519(11) -0.1038(11) -0.0339(6) 0.033(3) Uani 0.5 1 d . U . . .
O22 O 0.6069(13) 0.0324(12) 0.0113(6) 0.037(3) Uani 0.5 1 d . U . . .
O23 O 0.4564(8) 0.3695(7) 0.0139(4) 0.067(3) Uani 1 1 d . U . . .
C23 C 0.7850(10) 0.1504(10) 0.2550(5) 0.042(2) Uani 1 1 d . U . . .
C24 C 0.6946(11) 0.1102(11) 0.2765(5) 0.051(3) Uani 1 1 d . U . . .
H24 H 0.6499 0.1525 0.2903 0.061 Uiso 1 1 calc R . . . .
O24 O 0.8537(8) -0.0748(7) 0.0924(4) 0.077(3) Uani 1 1 d . U . . .
C25 C 0.6739(12) 0.0150(11) 0.2770(6) 0.060(3) Uani 1 1 d . U . . .
H25 H 0.6157 -0.0084 0.2914 0.071 Uiso 1 1 calc R . . . .
O25 O 0.8053(10) 0.0152(7) -0.1067(5) 0.084(3) Uani 1 1 d D U . . .
C26 C 0.7392(11) -0.0510(11) 0.2559(6) 0.057(3) Uani 1 1 d . U . . .
H26 H 0.7244 -0.1175 0.2572 0.068 Uiso 1 1 calc R . . . .
O26 O 0.8228(9) 0.2868(9) 0.0835(5) 0.096(4) Uani 1 1 d . U . . .
C27 C 0.8238(11) -0.0196(10) 0.2335(5) 0.052(3) Uani 1 1 d . U . . .
H27 H 0.8663 -0.0644 0.2198 0.062 Uiso 1 1 calc R . . . .
O27 O 0.5225(7) 0.2439(8) 0.2037(4) 0.062(3) Uani 1 1 d . U . . .
O28 O 0.5187(6) -0.1368(6) 0.1846(3) 0.040(2) Uani 1 1 d . U . . .
C28 C 0.8472(10) 0.0823(9) 0.2311(5) 0.040(2) Uani 1 1 d . U . . .
C29 C 1.0560(12) 0.2377(10) 0.1933(8) 0.062(3) Uani 1 1 d . U . . .
O29 O 0.6202(8) 0.2625(8) 0.0285(4) 0.066(2) Uani 1 1 d . U . . .
C30 C 1.1452(13) 0.2942(13) 0.2329(9) 0.088(5) Uani 1 1 d . U . . .
H30 H 1.1394 0.3173 0.2716 0.106 Uiso 1 1 calc R . . . .
O30 O 0.4985(10) 0.2079(9) -0.0684(4) 0.102(4) Uani 1 1 d . U . . .
O31 O 0.7637(7) -0.0462(7) -0.0141(4) 0.053(2) Uani 1 1 d . U . . .
C31 C 1.2392(17) 0.3164(18) 0.2174(12) 0.131(8) Uani 1 1 d . U . . .
H31 H 1.2960 0.3558 0.2446 0.157 Uiso 1 1 calc R . . . .
O32 O 0.5392(9) 0.0510(8) 0.1592(5) 0.102(3) Uani 1 1 d . U . . .
C32 C 1.2487(18) 0.2809(15) 0.1627(12) 0.113(6) Uani 1 1 d . U . . .
H32 H 1.3142 0.2933 0.1525 0.136 Uiso 1 1 calc R . . . .
O33 O 0.7496(7) 0.1396(7) -0.0139(4) 0.052(2) Uani 1 1 d . U . . .
C33 C 1.1648(18) 0.2258(16) 0.1198(11) 0.115(6) Uani 1 1 d . U . . .
H33 H 1.1730 0.2034 0.0814 0.138 Uiso 1 1 calc R . . . .
C34 C 1.0680(14) 0.2054(12) 0.1363(8) 0.079(4) Uani 1 1 d . U . . .
H34 H 1.0105 0.1694 0.1084 0.095 Uiso 1 1 calc R . . . .
O34 O 0.3342(9) 0.1854(9) -0.0190(4) 0.098(3) Uani 1 1 d . U . . .
C35 C 0.9285(10) 0.3903(10) 0.2462(6) 0.050(3) Uani 1 1 d . U . . .
O35 O 0.6494(8) 0.2035(8) 0.1239(4) 0.070(2) Uani 1 1 d . U . . .
C36 C 0.9309(13) 0.4533(12) 0.3000(7) 0.073(4) Uani 1 1 d . U . . .
H36 H 0.9209 0.4280 0.3318 0.088 Uiso 1 1 calc R . . . .
O36 O 0.6611(9) -0.0656(9) 0.1180(4) 0.099(3) Uani 1 1 d . U . . .
O37 O 0.7681(7) 0.0864(7) 0.0843(4) 0.054(2) Uani 1 1 d . U . . .
C37 C 0.9486(19) 0.5555(14) 0.3052(9) 0.119(8) Uani 1 1 d . U . . .
H37 H 0.9540 0.5987 0.3418 0.143 Uiso 1 1 calc R . . . .
O38 O 0.3647(9) 0.1021(8) 0.1188(5) 0.101(3) Uani 1 1 d . U . . .
C38 C 0.9583(19) 0.5945(14) 0.2608(9) 0.121(8) Uani 1 1 d . U . . .
H38 H 0.9670 0.6634 0.2658 0.145 Uiso 1 1 calc R . . . .
O39 O 0.4662(8) 0.2452(7) 0.0855(4) 0.064(2) Uani 1 1 d . U . . .
C39 C 0.9554(16) 0.5315(11) 0.2071(8) 0.100(6) Uani 1 1 d . U . . .
H39 H 0.9620 0.5580 0.1754 0.120 Uiso 1 1 calc R . . . .
C40 C 0.9428(12) 0.4302(10) 0.2000(6) 0.063(4) Uani 1 1 d . U . . .
H40 H 0.9439 0.3883 0.1639 0.076 Uiso 1 1 calc R . . . .
O40 O 0.3708(10) -0.0856(8) 0.1119(6) 0.119(4) Uani 1 1 d . U . . .
C41 C 0.5793(10) 0.5248(10) 0.3153(6) 0.045(3) Uani 1 1 d . U . . .
C42 C 0.5244(9) 0.6033(9) 0.3048(6) 0.041(3) Uani 1 1 d . U . . .
C43 C 0.5702(9) 0.5856(9) 0.2139(6) 0.039(3) Uani 1 1 d . U . . .
C44 C 0.5655(11) 0.6112(11) 0.1602(6) 0.056(4) Uani 1 1 d . U . . .
H44 H 0.5306 0.6622 0.1538 0.067 Uiso 1 1 calc R . . . .
C45 C 0.6105(11) 0.5630(10) 0.1189(6) 0.054(3) Uani 1 1 d . U . . .
H45 H 0.6058 0.5801 0.0836 0.065 Uiso 1 1 calc R . . . .
C46 C 0.6651(11) 0.4871(11) 0.1274(6) 0.057(4) Uani 1 1 d . U . . .
H46 H 0.6975 0.4555 0.0980 0.068 Uiso 1 1 calc R . . . .
C47 C 0.6715(11) 0.4586(10) 0.1782(6) 0.052(3) Uani 1 1 d . U . . .
H47 H 0.7077 0.4077 0.1834 0.063 Uiso 1 1 calc R . . . .
C48 C 0.6230(9) 0.5069(9) 0.2226(6) 0.038(3) Uani 1 1 d . U . . .
C49 C 0.5835(12) 0.4901(12) 0.3689(7) 0.062(3) Uani 1 1 d . U . . .
C50 C 0.5437(16) 0.3921(14) 0.3672(8) 0.095(6) Uani 1 1 d . U . . .
H50 H 0.5131 0.3471 0.3318 0.114 Uiso 1 1 calc R . . . .
C51 C 0.549(2) 0.3607(18) 0.4176(10) 0.146(10) Uani 1 1 d . U . . .
H51 H 0.5213 0.2952 0.4168 0.176 Uiso 1 1 calc R . . . .
C52 C 0.595(2) 0.4260(19) 0.4672(11) 0.170(12) Uani 1 1 d . U . . .
H52 H 0.5992 0.4036 0.5009 0.204 Uiso 1 1 calc R . . . .
C53 C 0.636(2) 0.5221(19) 0.4725(10) 0.171(12) Uani 1 1 d . U . . .
H53 H 0.6683 0.5646 0.5083 0.205 Uiso 1 1 calc R . . . .
C54 C 0.6270(18) 0.5548(15) 0.4230(8) 0.119(8) Uani 1 1 d . U . . .
H54 H 0.6509 0.6219 0.4255 0.143 Uiso 1 1 calc R . . . .
C55 C 0.4663(11) 0.6547(12) 0.3487(6) 0.055(3) Uani 1 1 d . U . . .
C56 C 0.5008(13) 0.7574(13) 0.3748(8) 0.086(5) Uani 1 1 d . U . . .
H56 H 0.5626 0.7892 0.3672 0.103 Uiso 1 1 calc R . . . .
C57 C 0.4439(15) 0.8148(17) 0.4128(8) 0.102(6) Uani 1 1 d . U . . .
H57 H 0.4662 0.8825 0.4310 0.122 Uiso 1 1 calc R . . . .
C58 C 0.3498(17) 0.7580(19) 0.4199(9) 0.109(6) Uani 1 1 d . U . . .
H58 H 0.3121 0.7881 0.4469 0.131 Uiso 1 1 calc R . . . .
C59 C 0.3152(18) 0.669(2) 0.3912(11) 0.143(10) Uani 1 1 d . U . . .
H59 H 0.2473 0.6401 0.3925 0.171 Uiso 1 1 calc R . . . .
C60 C 0.3742(15) 0.6097(16) 0.3570(10) 0.124(8) Uani 1 1 d . U . . .
H60 H 0.3500 0.5416 0.3408 0.149 Uiso 1 1 calc R . . . .


_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
Ag1 N1 2.145(9) . ?
Ag1 N6 2.152(9) 1_645 ?
Mo1 O1 2.474(14) 2_756 ?
Mo1 O1' 2.511(17) . ?
Mo1 O3 1.655(8) . ?
Mo1 O11 1.812(12) . ?
Mo1 O12 1.992(10) . ?
Mo1 O15 1.805(10) . ?
Mo1 O20 1.964(11) . ?
P1 O1 1.589(14) 2_756 ?
P1 O1 1.589(14) . ?
P1 O1' 1.566(17) 2_756 ?
P1 O1' 1.566(17) . ?
P1 O2' 1.424(14) 2_756 ?
P1 O2' 1.425(14) . ?
P1 O2 1.543(15) . ?
P1 O2 1.543(15) 2_756 ?
O1 Mo1 2.474(14) 2_756 ?
O1 O2' 1.676(19) 2_756 ?
O1 Mo4 2.494(15) 2_756 ?
O1 Mo6 2.352(14) 2_756 ?
O1' Mo2 2.361(18) . ?
O1' O2' 1.67(2) 2_756 ?
O1' Mo5 2.489(17) . ?
N1 C1 1.348(16) . ?
N1 C8 1.356(16) . ?
C1 C2 1.422(16) . ?
C1 C9 1.480(19) . ?
Mo2 O7 1.647(10) . ?
Mo2 O9 1.828(9) 2_756 ?
Mo2 O11 1.977(11) . ?
Mo2 O17 1.806(10) . ?
Mo2 O18 1.981(9) . ?
O2' O1 1.676(19) 2_756 ?
O2' O1' 1.67(2) 2_756 ?
O2' O2 1.59(2) 2_756 ?
O2' Mo3 2.514(14) 2_756 ?
O2 O2' 1.59(2) 2_756 ?
O2 Mo3 2.364(15) . ?
O2 Mo5 2.505(14) 2_756 ?
Ag2 N2 2.198(9) . ?
Ag2 N3 2.195(10) . ?
N2 C2 1.364(16) . ?
N2 C3 1.368(16) . ?
C2 C15 1.468(19) . ?
P2 O21' 1.612(16) 2_655 ?
P2 O21' 1.612(16) . ?
P2 O21 1.625(17) 2_655 ?
P2 O21 1.625(17) . ?
P2 O22' 1.487(15) . ?
P2 O22' 1.487(15) 2_655 ?
P2 O22 1.378(16) . ?
P2 O22 1.378(16) 2_655 ?
Mo3 O2' 2.514(14) 2_756 ?
Mo3 O6 1.652(9) . ?
Mo3 O10 2.007(9) . ?
Mo3 O16 2.006(10) 2_756 ?
Mo3 O18 1.803(9) . ?
Mo3 O19 1.807(10) . ?
Ag3 N4 2.229(9) . ?
Ag3 N5 2.224(9) . ?
C3 C4 1.388(18) . ?
C3 C8 1.429(16) . ?
N3 C21 1.313(15) . ?
N3 C28 1.335(15) . ?
Mo4 O1 2.494(15) 2_756 ?
Mo4 O8 1.647(9) . ?
Mo4 O13 1.792(11) . ?
Mo4 O14 1.795(10) 2_756 ?
Mo4 O15 1.988(11) . ?
Mo4 O19 2.001(10) . ?
O4 Mo6 1.638(10) . ?
C4 C5 1.35(2) . ?
N4 C22 1.342(16) . ?
N4 C23 1.365(16) . ?
Mo5 O2 2.505(14) 2_756 ?
Mo5 O5 1.649(9) . ?
Mo5 O12 1.812(10) . ?
Mo5 O14 1.998(10) . ?
Mo5 O16 1.811(10) . ?
Mo5 O17 2.006(10) . ?
N5 C41 1.335(15) . ?
N5 C48 1.365(15) . ?
C5 C6 1.39(2) . ?
Mo6 O1 2.352(14) 2_756 ?
Mo6 O9 1.970(9) . ?
Mo6 O10 1.796(9) 2_756 ?
Mo6 O13 2.010(10) . ?
Mo6 O20 1.814(11) . ?
N6 Ag1 2.152(9) 1_465 ?
N6 C42 1.296(15) . ?
N6 C43 1.374(14) . ?
C6 C7 1.33(2) . ?
C7 C8 1.413(19) . ?
Mo7 O21' 2.406(16) . ?
Mo7 O23 1.648(9) . ?
Mo7 O29 1.979(10) . ?
Mo7 O30 2.003(10) . ?
Mo7 O34 1.811(11) . ?
Mo7 O39 1.802(9) . ?
Mo8 O21 2.424(16) . ?
Mo8 O27 1.656(9) . ?
Mo8 O32 1.820(10) . ?
Mo8 O35 1.834(11) . ?
Mo8 O38 2.033(12) . ?
Mo8 O39 2.004(8) . ?
Mo9 O28 1.670(7) . ?
Mo9 O30 1.796(11) 2_655 ?
Mo9 O32 1.979(11) . ?
Mo9 O36 2.007(12) . ?
Mo9 O40 1.832(12) . ?
O9 Mo2 1.828(9) 2_756 ?
C9 C10 1.34(2) . ?
C9 C14 1.37(2) . ?
Mo10 O21 2.300(17) 2_655 ?
Mo10 O25 1.514(10) . ?
Mo10 O31 1.801(8) . ?
Mo10 O33 1.999(9) . ?
Mo10 O38 1.767(11) 2_655 ?
Mo10 O40 1.999(10) 2_655 ?
O10 Mo6 1.797(8) 2_756 ?
C10 C11 1.38(3) . ?
Mo11 O21' 2.347(16) 2_655 ?
Mo11 O24 1.648(9) . ?
Mo11 O31 1.976(8) . ?
Mo11 O34 1.986(11) 2_655 ?
Mo11 O36 1.790(11) . ?
Mo11 O37 1.827(9) . ?
C11 C12 1.40(3) . ?
Mo12 O22' 2.350(15) 2_655 ?
Mo12 O22 2.459(16) . ?
Mo12 O26 1.655(10) . ?
Mo12 O29 1.818(9) . ?
Mo12 O33 1.799(9) . ?
Mo12 O35 1.983(10) . ?
Mo12 O37 1.986(9) . ?
C12 C13 1.34(2) . ?
C13 C14 1.38(2) . ?
O14 Mo4 1.795(10) 2_756 ?
C15 C16 1.401(18) . ?
C15 C20 1.333(19) . ?
O16 Mo3 2.006(10) 2_756 ?
C16 C17 1.38(2) . ?
C17 C18 1.33(2) . ?
C18 C19 1.38(2) . ?
C19 C20 1.38(2) . ?
C21 C22 1.445(17) . ?
C21 C29 1.455(19) . ?
O21' Mo11 2.347(16) 2_655 ?
O21' O22 1.69(2) 2_655 ?
O21 Mo10 2.300(17) 2_655 ?
O21 O22 1.73(2) 2_655 ?
C22 C35 1.470(18) . ?
O22' Mo12 2.350(15) 2_655 ?
O22' O22 1.40(2) 2_655 ?
O22 O21' 1.69(2) 2_655 ?
O22 O21 1.73(2) 2_655 ?
O22 O22' 1.40(2) 2_655 ?
C23 C24 1.451(18) . ?
C23 C28 1.413(16) . ?
C24 C25 1.320(19) . ?
C25 C26 1.403(19) . ?
C26 C27 1.360(19) . ?
C27 C28 1.428(18) . ?
C29 C30 1.40(2) . ?
C29 C34 1.38(2) . ?
C30 C31 1.35(2) . ?
O30 Mo9 1.796(11) 2_655 ?
C31 C32 1.32(3) . ?
C32 C33 1.39(3) . ?
C33 C34 1.39(2) . ?
O34 Mo11 1.986(11) 2_655 ?
C35 C36 1.378(19) . ?
C35 C40 1.378(19) . ?
C36 C37 1.39(2) . ?
C37 C38 1.32(3) . ?
O38 Mo10 1.767(11) 2_655 ?
C38 C39 1.37(2) . ?
C39 C40 1.367(19) . ?
O40 Mo10 1.999(10) 2_655 ?
C41 C42 1.444(16) . ?
C41 C49 1.475(19) . ?
C42 C55 1.497(18) . ?
C43 C44 1.411(17) . ?
C43 C48 1.418(15) . ?
C44 C45 1.324(17) . ?
C45 C46 1.398(18) . ?
C46 C47 1.364(18) . ?
C47 C48 1.405(17) . ?
C49 C50 1.38(2) . ?
C49 C54 1.39(2) . ?
C50 C51 1.38(2) . ?
C51 C52 1.32(3) . ?
C52 C53 1.34(3) . ?
C53 C54 1.37(3) . ?
C55 C56 1.41(2) . ?
C55 C60 1.34(2) . ?
C56 C57 1.43(2) . ?
C57 C58 1.42(3) . ?
C58 C59 1.26(3) . ?
C59 C60 1.41(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
N1 Ag1 N6 167.1(4) . 1_645 ?
O1 Mo1 O1' 45.4(5) 2_756 . ?
O3 Mo1 O1 157.2(5) . 2_756 ?
O3 Mo1 O1' 156.6(6) . . ?
O3 Mo1 O11 102.3(5) . . ?
O3 Mo1 O12 101.5(5) . . ?
O3 Mo1 O15 102.6(5) . . ?
O3 Mo1 O20 101.5(5) . . ?
O11 Mo1 O1 98.6(5) . 2_756 ?
O11 Mo1 O1' 62.1(5) . . ?
O11 Mo1 O12 86.0(5) . . ?
O11 Mo1 O20 154.2(5) . . ?
O12 Mo1 O1 88.9(5) . 2_756 ?
O12 Mo1 O1' 62.2(5) . . ?
O15 Mo1 O1 65.8(5) . 2_756 ?
O15 Mo1 O1' 96.6(5) . . ?
O15 Mo1 O11 96.4(5) . . ?
O15 Mo1 O12 154.7(5) . . ?
O15 Mo1 O20 88.0(5) . . ?
O20 Mo1 O1 60.0(5) . 2_756 ?
O20 Mo1 O1' 92.2(5) . . ?
O20 Mo1 O12 79.7(5) . . ?
O1 P1 O1 180.0 2_756 . ?
O1' P1 O1 104.9(8) . . ?
O1' P1 O1 75.1(8) . 2_756 ?
O1' P1 O1 104.9(8) 2_756 2_756 ?
O1' P1 O1 75.1(8) 2_756 . ?
O1' P1 O1' 180.0 2_756 . ?
O2' P1 O1 112.7(7) . . ?
O2' P1 O1 112.7(7) 2_756 2_756 ?
O2' P1 O1 67.3(7) 2_756 . ?
O2' P1 O1 67.3(7) . 2_756 ?
O2' P1 O1' 112.2(8) 2_756 2_756 ?
O2' P1 O1' 112.2(8) . . ?
O2' P1 O1' 67.8(8) . 2_756 ?
O2' P1 O1' 67.8(8) 2_756 . ?
O2' P1 O2' 180.0(11) 2_756 . ?
O2' P1 O2 64.5(8) 2_756 . ?
O2' P1 O2 64.5(8) . 2_756 ?
O2' P1 O2 115.5(8) . . ?
O2' P1 O2 115.5(8) 2_756 2_756 ?
O2 P1 O1 75.4(7) . 2_756 ?
O2 P1 O1 75.4(7) 2_756 . ?
O2 P1 O1 104.6(7) 2_756 2_756 ?
O2 P1 O1 104.6(7) . . ?
O2 P1 O1' 106.2(8) . . ?
O2 P1 O1' 106.2(8) 2_756 2_756 ?
O2 P1 O1' 73.8(8) . 2_756 ?
O2 P1 O1' 73.8(8) 2_756 . ?
O2 P1 O2 180.0 . 2_756 ?
Mo1 O1 Mo4 91.4(5) 2_756 2_756 ?
P1 O1 Mo1 119.9(8) . 2_756 ?
P1 O1 O2' 51.7(6) . 2_756 ?
P1 O1 Mo4 120.1(7) . 2_756 ?
P1 O1 Mo6 127.2(7) . 2_756 ?
O2' O1 Mo1 137.6(9) 2_756 2_756 ?
O2' O1 Mo4 130.2(9) 2_756 2_756 ?
O2' O1 Mo6 75.7(7) 2_756 2_756 ?
Mo6 O1 Mo1 94.8(5) 2_756 2_756 ?
Mo6 O1 Mo4 95.1(5) 2_756 2_756 ?
P1 O1' Mo1 119.0(10) . . ?
P1 O1' Mo2 128.0(9) . . ?
P1 O1' O2' 52.1(7) . 2_756 ?
P1 O1' Mo5 120.8(9) . . ?
Mo2 O1' Mo1 93.9(6) . . ?
Mo2 O1' Mo5 94.7(6) . . ?
O2' O1' Mo1 126.9(10) 2_756 . ?
O2' O1' Mo2 76.2(8) 2_756 . ?
O2' O1' Mo5 140.3(11) 2_756 . ?
Mo5 O1' Mo1 91.8(5) . . ?
C1 N1 Ag1 114.6(8) . . ?
C1 N1 C8 120.0(10) . . ?
C8 N1 Ag1 125.4(9) . . ?
N1 C1 C2 120.6(12) . . ?
N1 C1 C9 117.2(11) . . ?
C2 C1 C9 122.1(13) . . ?
O7 Mo2 O1' 159.9(6) . . ?
O7 Mo2 O9 103.0(5) . 2_756 ?
O7 Mo2 O11 101.0(6) . . ?
O7 Mo2 O17 103.1(6) . . ?
O7 Mo2 O18 100.5(5) . . ?
O9 Mo2 O1' 94.8(5) 2_756 . ?
O9 Mo2 O11 154.0(5) 2_756 . ?
O9 Mo2 O18 86.2(4) 2_756 . ?
O11 Mo2 O1' 63.5(5) . . ?
O11 Mo2 O18 79.7(4) . . ?
O17 Mo2 O1' 65.5(6) . . ?
O17 Mo2 O9 96.2(4) . 2_756 ?
O17 Mo2 O11 88.0(4) . . ?
O17 Mo2 O18 155.1(5) . . ?
O18 Mo2 O1' 89.6(5) . . ?
P1 O2' O1 61.0(7) . 2_756 ?
P1 O2' O1' 60.1(8) . 2_756 ?
P1 O2' O2 61.4(8) . 2_756 ?
P1 O2' Mo3 127.0(8) . 2_756 ?
O1 O2' Mo3 135.3(8) 2_756 2_756 ?
O1' O2' O1 96.7(10) 2_756 2_756 ?
O1' O2' Mo3 126.4(9) 2_756 2_756 ?
O2 O2' O1 98.8(11) 2_756 2_756 ?
O2 O2' O1' 99.3(11) 2_756 2_756 ?
O2 O2' Mo3 66.0(7) 2_756 2_756 ?
P1 O2 O2' 54.1(7) . 2_756 ?
P1 O2 Mo3 130.0(9) . . ?
P1 O2 Mo5 121.1(7) . 2_756 ?
O2' O2 Mo3 76.2(8) 2_756 . ?
O2' O2 Mo5 130.4(9) 2_756 2_756 ?
Mo3 O2 Mo5 93.8(5) . 2_756 ?
N3 Ag2 N2 138.2(4) . . ?
C2 N2 Ag2 117.1(9) . . ?
C2 N2 C3 121.2(10) . . ?
C3 N2 Ag2 120.6(8) . . ?
C1 C2 C15 123.0(12) . . ?
N2 C2 C1 118.9(13) . . ?
N2 C2 C15 117.5(11) . . ?
O21' P2 O21' 180.0 2_655 . ?
O21' P2 O21 98.2(7) 2_655 2_655 ?
O21' P2 O21 81.8(7) 2_655 . ?
O21' P2 O21 81.8(7) . 2_655 ?
O21' P2 O21 98.2(7) . . ?
O21 P2 O21 180.0 . 2_655 ?
O22' P2 O21' 106.8(8) 2_655 2_655 ?
O22' P2 O21' 73.2(8) 2_655 . ?
O22' P2 O21' 106.8(8) . . ?
O22' P2 O21' 73.2(8) . 2_655 ?
O22' P2 O21 105.9(8) . . ?
O22' P2 O21 74.1(8) . 2_655 ?
O22' P2 O21 105.9(8) 2_655 2_655 ?
O22' P2 O21 74.1(8) 2_655 . ?
O22' P2 O22' 180.0 . 2_655 ?
O22 P2 O21' 68.4(8) . 2_655 ?
O22 P2 O21' 68.4(8) 2_655 . ?
O22 P2 O21' 111.6(8) . . ?
O22 P2 O21' 111.6(8) 2_655 2_655 ?
O22 P2 O21 110.2(8) . . ?
O22 P2 O21 110.2(8) 2_655 2_655 ?
O22 P2 O21 69.8(8) 2_655 . ?
O22 P2 O21 69.8(8) . 2_655 ?
O22 P2 O22' 121.5(8) . . ?
O22 P2 O22' 58.5(8) 2_655 . ?
O22 P2 O22' 121.5(8) 2_655 2_655 ?
O22 P2 O22' 58.5(8) . 2_655 ?
O22 P2 O22 180.0 . 2_655 ?
O2 Mo3 O2' 37.8(5) . 2_756 ?
O6 Mo3 O2' 158.8(5) . 2_756 ?
O6 Mo3 O2 162.0(5) . . ?
O6 Mo3 O10 99.4(4) . . ?
O6 Mo3 O16 100.9(5) . 2_756 ?
O6 Mo3 O18 102.2(5) . . ?
O6 Mo3 O19 103.8(5) . . ?
O10 Mo3 O2' 64.0(4) . 2_756 ?
O10 Mo3 O2 88.1(4) . . ?
O16 Mo3 O2' 89.1(5) 2_756 2_756 ?
O16 Mo3 O2 64.4(5) 2_756 . ?
O16 Mo3 O10 78.6(4) 2_756 . ?
O18 Mo3 O2' 65.3(4) . 2_756 ?
O18 Mo3 O2 94.5(5) . . ?
O18 Mo3 O10 86.3(4) . . ?
O18 Mo3 O16 154.1(4) . 2_756 ?
O18 Mo3 O19 98.5(4) . . ?
O19 Mo3 O2' 95.3(5) . 2_756 ?
O19 Mo3 O2 66.8(5) . . ?
O19 Mo3 O10 154.7(4) . . ?
O19 Mo3 O16 87.2(4) . 2_756 ?
N5 Ag3 N4 148.0(4) . . ?
N2 C3 C4 121.7(12) . . ?
N2 C3 C8 118.2(12) . . ?
C4 C3 C8 119.9(14) . . ?
C21 N3 Ag2 119.3(9) . . ?
C21 N3 C28 119.9(11) . . ?
C28 N3 Ag2 120.6(8) . . ?
O8 Mo4 O1 156.8(5) . 2_756 ?
O8 Mo4 O13 102.9(5) . . ?
O8 Mo4 O14 103.2(5) . 2_756 ?
O8 Mo4 O15 100.9(5) . . ?
O8 Mo4 O19 100.7(5) . . ?
O13 Mo4 O1 61.7(5) . 2_756 ?
O13 Mo4 O14 96.8(5) . 2_756 ?
O13 Mo4 O15 87.6(5) . . ?
O13 Mo4 O19 154.6(5) . . ?
O14 Mo4 O1 96.2(5) 2_756 2_756 ?
O14 Mo4 O15 153.9(5) 2_756 . ?
O14 Mo4 O19 86.7(4) 2_756 . ?
O15 Mo4 O1 63.3(4) . 2_756 ?
O15 Mo4 O19 78.9(5) . . ?
O19 Mo4 O1 93.0(5) . 2_756 ?
C5 C4 C3 119.2(14) . . ?
C22 N4 Ag3 117.6(8) . . ?
C22 N4 C23 120.0(11) . . ?
C23 N4 Ag3 122.4(9) . . ?
O1' Mo5 O2 43.9(5) . 2_756 ?
O5 Mo5 O1' 155.9(5) . . ?
O5 Mo5 O2 158.8(5) . 2_756 ?
O5 Mo5 O12 104.1(5) . . ?
O5 Mo5 O14 100.2(5) . . ?
O5 Mo5 O16 103.1(5) . . ?
O5 Mo5 O17 99.0(5) . . ?
O12 Mo5 O1' 64.6(5) . . ?
O12 Mo5 O2 94.3(5) . 2_756 ?
O12 Mo5 O14 153.3(5) . . ?
O12 Mo5 O17 86.3(4) . . ?
O14 Mo5 O1' 88.7(5) . . ?
O14 Mo5 O2 64.6(5) . 2_756 ?
O14 Mo5 O17 78.9(4) . . ?
O16 Mo5 O1' 99.6(6) . . ?
O16 Mo5 O2 63.6(5) . 2_756 ?
O16 Mo5 O12 97.2(5) . . ?
O16 Mo5 O14 88.1(4) . . ?
O16 Mo5 O17 156.0(5) . . ?
O17 Mo5 O1' 60.4(5) . . ?
O17 Mo5 O2 92.5(5) . 2_756 ?
C41 N5 Ag3 118.6(8) . . ?
C41 N5 C48 120.5(10) . . ?
C48 N5 Ag3 120.9(8) . . ?
C4 C5 C6 122.0(16) . . ?
O4 Mo6 O1 158.3(5) . 2_756 ?
O4 Mo6 O9 101.0(5) . . ?
O4 Mo6 O10 102.6(5) . 2_756 ?
O4 Mo6 O13 100.8(5) . . ?
O4 Mo6 O20 102.9(6) . . ?
O9 Mo6 O1 89.4(4) . 2_756 ?
O9 Mo6 O13 78.7(4) . . ?
O10 Mo6 O1 96.5(5) 2_756 2_756 ?
O10 Mo6 O9 88.4(4) 2_756 . ?
O10 Mo6 O13 155.0(5) 2_756 . ?
O10 Mo6 O20 97.3(5) 2_756 . ?
O13 Mo6 O1 62.4(5) . 2_756 ?
O20 Mo6 O1 64.3(5) . 2_756 ?
O20 Mo6 O9 153.6(5) . . ?
O20 Mo6 O13 85.8(4) . . ?
C42 N6 Ag1 118.5(8) . 1_465 ?
C42 N6 C43 120.2(10) . . ?
C43 N6 Ag1 121.3(8) . 1_465 ?
C7 C6 C5 119.9(16) . . ?
C6 C7 C8 121.4(14) . . ?
O23 Mo7 O21' 157.1(5) . . ?
O23 Mo7 O29 101.3(4) . . ?
O23 Mo7 O30 100.2(5) . . ?
O23 Mo7 O34 102.9(6) . . ?
O23 Mo7 O39 103.8(5) . . ?
O29 Mo7 O21' 92.2(5) . . ?
O29 Mo7 O30 78.4(5) . . ?
O30 Mo7 O21' 64.3(5) . . ?
O34 Mo7 O21' 61.3(6) . . ?
O34 Mo7 O29 153.4(5) . . ?
O34 Mo7 O30 86.5(5) . . ?
O39 Mo7 O21' 95.2(5) . . ?
O39 Mo7 O29 87.1(4) . . ?
O39 Mo7 O30 154.0(5) . . ?
O39 Mo7 O34 97.7(5) . . ?
N1 C8 C3 120.7(13) . . ?
N1 C8 C7 121.9(12) . . ?
C7 C8 C3 117.4(13) . . ?
O27 Mo8 O21 156.1(5) . . ?
O27 Mo8 O32 102.3(5) . . ?
O27 Mo8 O35 102.5(4) . . ?
O27 Mo8 O38 100.8(5) . . ?
O27 Mo8 O39 101.2(4) . . ?
O32 Mo8 O21 66.7(5) . . ?
O32 Mo8 O35 98.4(5) . . ?
O32 Mo8 O38 85.4(5) . . ?
O32 Mo8 O39 154.1(4) . . ?
O35 Mo8 O21 100.2(5) . . ?
O35 Mo8 O38 154.9(5) . . ?
O35 Mo8 O39 86.9(4) . . ?
O38 Mo8 O21 58.5(5) . . ?
O39 Mo8 O21 87.5(4) . . ?
O39 Mo8 O38 79.6(4) . . ?
O28 Mo9 O30 102.5(5) . 2_655 ?
O28 Mo9 O32 100.4(4) . . ?
O28 Mo9 O36 100.9(4) . . ?
O28 Mo9 O40 101.4(5) . . ?
O30 Mo9 O32 155.2(5) 2_655 . ?
O30 Mo9 O36 86.1(5) 2_655 . ?
O30 Mo9 O40 97.6(6) 2_655 . ?
O32 Mo9 O36 80.4(5) . . ?
O40 Mo9 O32 87.0(5) . . ?
O40 Mo9 O36 156.1(5) . . ?
Mo2 O9 Mo6 139.7(5) 2_756 . ?
C10 C9 C1 117.4(15) . . ?
C10 C9 C14 121.6(15) . . ?
C14 C9 C1 120.7(14) . . ?
O25 Mo10 O21 155.1(6) . 2_655 ?
O25 Mo10 O31 106.4(5) . . ?
O25 Mo10 O33 101.9(5) . . ?
O25 Mo10 O38 99.5(6) . 2_655 ?
O25 Mo10 O40 96.1(6) . 2_655 ?
O31 Mo10 O21 94.8(5) . 2_655 ?
O31 Mo10 O33 87.2(4) . . ?
O31 Mo10 O40 155.4(5) . 2_655 ?
O33 Mo10 O21 91.7(5) . 2_655 ?
O38 Mo10 O21 64.0(6) 2_655 2_655 ?
O38 Mo10 O31 98.4(5) 2_655 . ?
O38 Mo10 O33 155.4(5) 2_655 . ?
O38 Mo10 O40 87.1(5) 2_655 2_655 ?
O40 Mo10 O21 66.0(6) 2_655 2_655 ?
O40 Mo10 O33 78.5(4) 2_655 . ?
Mo6 O10 Mo3 139.1(5) 2_756 . ?
C9 C10 C11 119(2) . . ?
O24 Mo11 O21' 159.3(6) . 2_655 ?
O24 Mo11 O31 101.0(5) . . ?
O24 Mo11 O34 101.9(5) . 2_655 ?
O24 Mo11 O36 103.2(6) . . ?
O24 Mo11 O37 101.2(4) . . ?
O31 Mo11 O21' 87.1(4) . 2_655 ?
O31 Mo11 O34 79.0(4) . 2_655 ?
O34 Mo11 O21' 60.7(6) 2_655 2_655 ?
O36 Mo11 O21' 66.7(5) . 2_655 ?
O36 Mo11 O31 153.8(5) . . ?
O36 Mo11 O34 86.3(5) . 2_655 ?
O36 Mo11 O37 97.5(5) . . ?
O37 Mo11 O21' 98.1(5) . 2_655 ?
O37 Mo11 O31 87.4(4) . . ?
O37 Mo11 O34 155.0(5) . 2_655 ?
Mo1 O11 Mo2 140.0(6) . . ?
C10 C11 C12 120(2) . . ?
O22' Mo12 O22 33.9(5) 2_655 . ?
O26 Mo12 O22' 162.7(6) . 2_655 ?
O26 Mo12 O22 162.4(6) . . ?
O26 Mo12 O29 103.7(5) . . ?
O26 Mo12 O33 101.9(5) . . ?
O26 Mo12 O35 100.4(5) . . ?
O26 Mo12 O37 99.8(5) . . ?
O29 Mo12 O22' 66.3(5) . 2_655 ?
O29 Mo12 O22 92.4(5) . . ?
O29 Mo12 O35 86.6(4) . . ?
O29 Mo12 O37 154.4(4) . . ?
O33 Mo12 O22' 93.7(5) . 2_655 ?
O33 Mo12 O22 68.6(5) . . ?
O33 Mo12 O29 97.2(4) . . ?
O33 Mo12 O35 155.8(4) . . ?
O33 Mo12 O37 87.7(4) . . ?
O35 Mo12 O22' 65.9(5) . 2_655 ?
O35 Mo12 O22 87.5(5) . . ?
O35 Mo12 O37 79.3(4) . . ?
O37 Mo12 O22' 88.4(4) . 2_655 ?
O37 Mo12 O22 66.0(4) . . ?
Mo5 O12 Mo1 141.3(6) . . ?
C13 C12 C11 119(2) . . ?
Mo4 O13 Mo6 140.4(7) . . ?
C12 C13 C14 121.1(19) . . ?
Mo4 O14 Mo5 139.7(6) 2_756 . ?
C9 C14 C13 118.8(16) . . ?
Mo1 O15 Mo4 139.2(6) . . ?
C16 C15 C2 118.2(14) . . ?
C20 C15 C2 121.0(14) . . ?
C20 C15 C16 120.8(15) . . ?
Mo5 O16 Mo3 137.4(6) . 2_756 ?
C17 C16 C15 118.9(16) . . ?
Mo2 O17 Mo5 138.8(7) . . ?
C18 C17 C16 120.9(18) . . ?
Mo3 O18 Mo2 141.6(5) . . ?
C17 C18 C19 119.5(18) . . ?
Mo3 O19 Mo4 139.1(6) . . ?
C18 C19 C20 121.1(19) . . ?
Mo6 O20 Mo1 140.4(6) . . ?
C15 C20 C19 118.8(17) . . ?
N3 C21 C22 121.2(13) . . ?
N3 C21 C29 116.7(11) . . ?
C22 C21 C29 122.1(12) . . ?
P2 O21' Mo7 123.8(8) . . ?
P2 O21' Mo11 127.1(9) . 2_655 ?
P2 O21' O22 49.2(7) . 2_655 ?
Mo11 O21' Mo7 97.3(6) 2_655 . ?
O22 O21' Mo7 138.8(9) 2_655 . ?
O22 O21' Mo11 78.0(8) 2_655 2_655 ?
P2 O21 Mo8 122.0(8) . . ?
P2 O21 Mo10 128.2(8) . 2_655 ?
P2 O21 O22 48.4(7) . 2_655 ?
Mo10 O21 Mo8 97.9(6) 2_655 . ?
O22 O21 Mo8 147.1(10) 2_655 . ?
O22 O21 Mo10 80.0(8) 2_655 2_655 ?
N4 C22 C21 118.6(12) . . ?
N4 C22 C35 117.0(11) . . ?
C21 C22 C35 124.4(13) . . ?
P2 O22' Mo12 133.9(8) . 2_655 ?
O22 O22' P2 56.9(9) 2_655 . ?
O22 O22' Mo12 77.3(9) 2_655 2_655 ?
P2 O22 Mo12 133.1(9) . . ?
P2 O22 O21' 62.4(8) . 2_655 ?
P2 O22 O21 61.8(8) . 2_655 ?
P2 O22 O22' 64.6(9) . 2_655 ?
O21' O22 Mo12 140.5(9) 2_655 . ?
O21' O22 O21 91.3(10) 2_655 2_655 ?
O21 O22 Mo12 128.2(9) 2_655 . ?
O22' O22 Mo12 68.8(9) 2_655 . ?
O22' O22 O21' 106.7(12) 2_655 2_655 ?
O22' O22 O21 104.4(12) 2_655 2_655 ?
N4 C23 C24 123.4(12) . . ?
N4 C23 C28 119.3(12) . . ?
C28 C23 C24 117.3(13) . . ?
C25 C24 C23 121.8(14) . . ?
C24 C25 C26 120.4(15) . . ?
C27 C26 C25 121.3(15) . . ?
C26 C27 C28 119.8(13) . . ?
N3 C28 C23 120.9(12) . . ?
N3 C28 C27 119.8(12) . . ?
C23 C28 C27 119.2(13) . . ?
C30 C29 C21 119.9(16) . . ?
C34 C29 C21 123.4(16) . . ?
C34 C29 C30 116.5(16) . . ?
Mo12 O29 Mo7 140.8(6) . . ?
C31 C30 C29 123(2) . . ?
Mo9 O30 Mo7 140.3(7) 2_655 . ?
Mo10 O31 Mo11 140.3(5) . . ?
C32 C31 C30 119(3) . . ?
Mo8 O32 Mo9 139.7(6) . . ?
C31 C32 C33 123(2) . . ?
Mo12 O33 Mo10 139.1(5) . . ?
C34 C33 C32 118(2) . . ?
C29 C34 C33 121(2) . . ?
Mo7 O34 Mo11 140.0(8) . 2_655 ?
C36 C35 C22 117.8(13) . . ?
C40 C35 C22 122.4(13) . . ?
C40 C35 C36 119.5(13) . . ?
Mo8 O35 Mo12 138.6(6) . . ?
C35 C36 C37 117.8(17) . . ?
Mo11 O36 Mo9 140.1(6) . . ?
Mo11 O37 Mo12 138.4(5) . . ?
C38 C37 C36 123.2(19) . . ?
Mo10 O38 Mo8 139.2(8) 2_655 . ?
C37 C38 C39 118.9(19) . . ?
Mo7 O39 Mo8 139.3(5) . . ?
C40 C39 C38 120.5(18) . . ?
C39 C40 C35 120.0(15) . . ?
Mo9 O40 Mo10 136.8(8) . 2_655 ?
N5 C41 C42 118.2(12) . . ?
N5 C41 C49 118.2(11) . . ?
C42 C41 C49 123.5(12) . . ?
N6 C42 C41 122.1(12) . . ?
N6 C42 C55 116.8(11) . . ?
C41 C42 C55 121.0(12) . . ?
N6 C43 C44 122.1(11) . . ?
N6 C43 C48 118.9(11) . . ?
C44 C43 C48 119.0(12) . . ?
C45 C44 C43 120.4(13) . . ?
C44 C45 C46 121.2(14) . . ?
C47 C46 C45 120.9(14) . . ?
C46 C47 C48 119.4(12) . . ?
N5 C48 C43 120.1(11) . . ?
N5 C48 C47 120.8(11) . . ?
C47 C48 C43 119.1(12) . . ?
C50 C49 C41 121.1(15) . . ?
C50 C49 C54 117.6(16) . . ?
C54 C49 C41 121.3(15) . . ?
C51 C50 C49 120(2) . . ?
C52 C51 C50 118(2) . . ?
C51 C52 C53 125(2) . . ?
C52 C53 C54 117(2) . . ?
C53 C54 C49 122(2) . . ?
C56 C55 C42 118.4(14) . . ?
C60 C55 C42 121.8(15) . . ?
C60 C55 C56 119.1(15) . . ?
C55 C56 C57 122.1(18) . . ?
C58 C57 C56 113(2) . . ?
C59 C58 C57 123(2) . . ?
C58 C59 C60 123(2) . . ?
C55 C60 C59 118(2) . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'


####################################################################### 
# 
# 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_compound-4
_database_code_depnum_ccdc_archive 'CCDC 1481872'
_audit_update_record             
;
2016-07-12 deposited with the CCDC.
2016-07-28 downloaded from the CCDC.
;
_audit_creation_date             2016-07-05
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'0.5(C80 H56 Ag4 Mo24 N8 O80 Si2), 2(C16 H36 N)'
_chemical_formula_sum            'C72 H100 Ag2 Mo12 N6 O40 Si'
_chemical_formula_weight         3084.68
_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'
Ag Ag -0.8971 1.1015 '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'
Si Si 0.0817 0.0704 '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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   16.9259(6)
_cell_length_b                   13.7086(5)
_cell_length_c                   21.2814(8)
_cell_angle_alpha                90
_cell_angle_beta                 101.1530(10)
_cell_angle_gamma                90
_cell_volume                     4844.7(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    7629
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.35
_cell_measurement_theta_min      1.71
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.987
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    2.115
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3012
_exptl_crystal_size_max          0.21
_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  0.0393
_diffrn_reflns_av_unetI/netI     0.0481
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            35534
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.346
_diffrn_reflns_theta_min         1.708
_diffrn_ambient_temperature      293
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_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                8501
_reflns_number_total             12094
_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       'SMART (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT+ (Bruker, 1999)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         1.862
_refine_diff_density_min         -1.600
_refine_diff_density_rms         0.132
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     672
_refine_ls_number_reflns         12094
_refine_ls_number_restraints     714
_refine_ls_R_factor_all          0.0812
_refine_ls_R_factor_gt           0.0478
_refine_ls_restrained_S_all      1.087
_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)+(0.0265P)²+23.2943P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0905
_refine_ls_wR_factor_ref         0.1035
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All C(H,H,H,H,H,H) groups
2. Restrained distances
 C34A-C35A = C34-C35
 1.57 with sigma of 0.01
 C25-C26
 1.57 with sigma of 0.01
 C34-C33 \\sim C33-C34A
 with sigma of 0.02
 C34A-C35A \\sim C34-C35
 with sigma of 0.02
 C35A-C36 \\sim C36-C35
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(O13) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.005
4. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(H30C)=Sof(H30D)=Sof(C32A)=Sof(H32D)=Sof(H32E)=Sof(H32F)=Sof(C31A)=
 Sof(H31C)=Sof(H31D)=1-FVAR(1)
 Sof(H30A)=Sof(H30B)=Sof(C32)=Sof(H32A)=Sof(H32B)=Sof(H32C)=Sof(C31)=Sof(H31A)=
 Sof(H31B)=FVAR(1)
 Sof(H27C)=Sof(H27D)=Sof(C28A)=Sof(H28D)=Sof(H28E)=Sof(H28F)=1-FVAR(2)
 Sof(C28)=Sof(H28A)=Sof(H28B)=Sof(H28C)=Sof(H27A)=Sof(H27B)=FVAR(2)
 Sof(H33C)=Sof(H33D)=Sof(H36D)=Sof(H36E)=Sof(H36F)=Sof(C35A)=Sof(H35C)=
 Sof(H35D)=Sof(C34A)=Sof(H34C)=Sof(H34D)=1-FVAR(3)
 Sof(H33A)=Sof(H33B)=Sof(C34)=Sof(H34A)=Sof(H34B)=Sof(C35)=Sof(H35A)=Sof(H35B)=
 Sof(H36A)=Sof(H36B)=Sof(H36C)=FVAR(3)
 Fixed Sof: O1(0.5) O1'(0.5) O2(0.5) O2'(0.5)
6.a Secondary CH2 refined with riding coordinates:
 C21(H21A,H21B), C22(H22A,H22B), C23(H23A,H23B), C25(H25A,H25B), C26(H26A,
 H26B), C27(H27C,H27D), C27(H27A,H27B), C29(H29A,H29B), C30(H30A,H30B),
 C30(H30C,H30D), C33(H33A,H33B), C33(H33C,H33D), C34(H34A,H34B), C35(H35A,H35B),
  C31(H31A,H31B), C31A(H31C,H31D), C35A(H35C,H35D), C34A(H34C,H34D)
6.b Me refined with riding coordinates:
 C36(H36A,H36B,H36C), C36(H36D,H36E,H36F)
6.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C7(H7), C10(H10), C11(H11), C12(H12), C13(H13),
 C14(H14), C16(H16), C17(H17), C18(H18), C19(H19), C20(H20)
6.d Idealised Me refined as rotating group:
 C24(H24A,H24B,H24C), C28(H28A,H28B,H28C), C32(H32A,H32B,H32C), C32A(H32D,H32E,
 H32F), C28A(H28D,H28E,H28F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
Ag1 Ag 0.21724(3) 0.83600(3) 0.77530(2) 0.04446(12) Uani 1 1 d . U . . .
Mo1 Mo 0.06171(3) 1.10957(4) 0.86828(3) 0.04284(14) Uani 1 1 d . U . . .
O1 O 0.0099(4) 0.9812(5) 0.9243(3) 0.0309(14) Uani 0.5 1 d . U . . .
O1' O 0.0922(4) 1.0044(5) 1.0430(3) 0.0271(14) Uani 0.5 1 d . U . . .
N1 N 0.2527(3) 0.6898(3) 0.7538(2) 0.0353(10) Uani 1 1 d . U . . .
Si1 Si 0.0000 1.0000 1.0000 0.0252(4) Uani 1 2 d S TU P . .
C1 C 0.3063(3) 0.6391(4) 0.7944(3) 0.0331(11) Uani 1 1 d . U . . .
Mo2 Mo -0.17915(3) 1.12955(4) 0.94193(2) 0.03879(12) Uani 1 1 d . U . . .
O2 O -0.0458(4) 0.9054(5) 1.0226(3) 0.0297(14) Uani 0.5 1 d . U . . .
O2' O -0.0472(4) 1.0979(5) 1.0055(3) 0.0312(15) Uani 0.5 1 d . U . . .
C2 C 0.3210(3) 0.5381(4) 0.7826(3) 0.0353(12) Uani 1 1 d . U . . .
N2 N 0.2814(3) 0.4941(3) 0.7307(2) 0.0370(10) Uani 1 1 d . U . . .
Mo3 Mo -0.18701(3) 0.87773(4) 0.97863(2) 0.04159(13) Uani 1 1 d . U . . .
O3 O 0.1186(3) 0.7815(3) 0.8421(2) 0.0510(11) Uani 1 1 d . U . . .
N3 N 0.3774(3) 0.9323(4) 0.3092(3) 0.0623(15) Uani 1 1 d . U . . .
C3 C 0.2321(3) 0.5473(4) 0.6855(3) 0.0366(12) Uani 1 1 d . U . . .
O4 O -0.0028(4) 0.6235(3) 1.0226(2) 0.0718(15) Uani 1 1 d . U . . .
Mo4 Mo 0.08561(3) 0.85393(4) 0.89505(2) 0.03521(12) Uani 1 1 d . U . . .
C4 C 0.1976(4) 0.5058(5) 0.6263(3) 0.0453(14) Uani 1 1 d . U . . .
H4 H 0.2050 0.4399 0.6190 0.054 Uiso 1 1 calc R . . . .
Mo5 Mo -0.10847(3) 0.95395(4) 0.84390(2) 0.04450(14) Uani 1 1 d . U . . .
O5 O -0.1596(3) 0.9424(3) 0.76978(19) 0.0509(11) Uani 1 1 d . U . . .
C5 C 0.1533(4) 0.5616(5) 0.5798(3) 0.0511(16) Uani 1 1 d . U . . .
H5 H 0.1325 0.5342 0.5401 0.061 Uiso 1 1 calc R . . . .
Mo6 Mo -0.00564(3) 0.74307(3) 1.01262(2) 0.03580(12) Uani 1 1 d . U . . .
O6 O -0.2721(3) 0.8154(4) 0.9644(2) 0.0618(13) Uani 1 1 d . U . . .
C6 C 0.1389(4) 0.6600(5) 0.5910(3) 0.0533(16) Uani 1 1 d . U . . .
H6 H 0.1082 0.6972 0.5586 0.064 Uiso 1 1 calc R . . . .
O7 O -0.2656(3) 1.1871(4) 0.9200(2) 0.0637(13) Uani 1 1 d . U . . .
C7 C 0.1690(4) 0.7018(5) 0.6485(3) 0.0460(14) Uani 1 1 d . U . . .
H7 H 0.1578 0.7668 0.6558 0.055 Uiso 1 1 calc R . . . .
O8 O 0.0967(3) 1.1545(3) 0.8068(2) 0.0518(11) Uani 1 1 d . U . . .
C8 C 0.2171(3) 0.6469(4) 0.6968(3) 0.0355(12) Uani 1 1 d . U . . .
O9 O -0.2219(4) 1.0019(4) 0.9680(2) 0.0871(17) Uani 1 1 d . U . . .
C9 C 0.3521(3) 0.6910(4) 0.8510(3) 0.0351(11) Uani 1 1 d . U . . .
O10 O -0.1610(3) 0.8785(5) 1.0650(2) 0.0814(18) Uani 1 1 d . U . . .
C10 C 0.3160(4) 0.7260(4) 0.8992(3) 0.0419(13) Uani 1 1 d . U . . .
H10 H 0.2612 0.7161 0.8971 0.050 Uiso 1 1 calc R . . . .
O11 O 0.0298(3) 0.7555(4) 0.9377(2) 0.0668(14) Uani 1 1 d . U . . .
C11 C 0.3605(4) 0.7759(5) 0.9508(3) 0.0519(16) Uani 1 1 d . U . . .
H11 H 0.3358 0.7987 0.9833 0.062 Uiso 1 1 calc R . . . .
O12 O -0.1075(3) 1.2258(4) 0.9430(2) 0.0724(15) Uani 1 1 d . U . . .
C12 C 0.4405(4) 0.7914(5) 0.9536(3) 0.0585(17) Uani 1 1 d . U . . .
H12 H 0.4700 0.8260 0.9878 0.070 Uiso 1 1 calc R . . . .
O13 O -0.0268(3) 0.8687(4) 0.8455(3) 0.0860(16) Uani 1 1 d . U . . .
C13 C 0.4785(4) 0.7563(6) 0.9062(4) 0.066(2) Uani 1 1 d . U . . .
H13 H 0.5333 0.7666 0.9088 0.079 Uiso 1 1 calc R . . . .
O14 O -0.1667(4) 1.0708(4) 0.8684(3) 0.0863(17) Uani 1 1 d . U . . .
C14 C 0.4344(4) 0.7058(5) 0.8550(3) 0.0529(17) Uani 1 1 d . U . . .
H14 H 0.4597 0.6817 0.8232 0.063 Uiso 1 1 calc R . . . .
O15 O -0.1098(3) 0.7657(5) 0.9804(2) 0.0820(17) Uani 1 1 d . U . . .
C15 C 0.3832(4) 0.4807(4) 0.8265(3) 0.0421(13) Uani 1 1 d . U . . .
O16 O 0.1060(3) 0.9743(3) 0.8661(3) 0.0856(18) Uani 1 1 d . U . . .
C16 C 0.3851(5) 0.4724(5) 0.8916(3) 0.0575(17) Uani 1 1 d . U . . .
H16 H 0.3459 0.5029 0.9098 0.069 Uiso 1 1 calc R . . . .
O17 O 0.0232(3) 1.2168(5) 0.9019(2) 0.0821(17) Uani 1 1 d . U . . .
C17 C 0.4454(5) 0.4185(6) 0.9296(4) 0.072(2) Uani 1 1 d . U . . .
H17 H 0.4464 0.4126 0.9733 0.087 Uiso 1 1 calc R . . . .
O18 O -0.0338(3) 1.0598(4) 0.8293(3) 0.0927(19) Uani 1 1 d . U . . .
C18 C 0.5036(6) 0.3741(6) 0.9032(5) 0.085(2) Uani 1 1 d . U . . .
H18 H 0.5438 0.3379 0.9289 0.102 Uiso 1 1 calc R . . . .
O19 O -0.1659(4) 0.8812(4) 0.8895(3) 0.0859(17) Uani 1 1 d . U . . .
C19 C 0.5028(5) 0.3827(6) 0.8392(5) 0.080(2) Uani 1 1 d . U . . .
H19 H 0.5427 0.3529 0.8215 0.096 Uiso 1 1 calc R . . . .
O20 O -0.1678(3) 1.1489(4) 1.0374(2) 0.0648(14) Uani 1 1 d . U . . .
C20 C 0.4428(4) 0.4356(5) 0.8007(4) 0.0570(17) Uani 1 1 d . U . . .
H20 H 0.4424 0.4410 0.7571 0.068 Uiso 1 1 calc R . . . .
C21 C 0.4646(4) 0.9253(5) 0.3440(3) 0.0590(17) Uani 1 1 d . U . . .
H21A H 0.4652 0.9148 0.3891 0.071 Uiso 1 1 calc R . . . .
H21B H 0.4887 0.8685 0.3281 0.071 Uiso 1 1 calc R . . . .
C22 C 0.5165(4) 1.0134(6) 0.3372(4) 0.0638(19) Uani 1 1 d . U . . .
H22A H 0.5143 1.0262 0.2921 0.077 Uiso 1 1 calc R . . . .
H22B H 0.4948 1.0699 0.3554 0.077 Uiso 1 1 calc R . . . .
C23 C 0.6021(5) 0.9995(8) 0.3695(6) 0.102(3) Uani 1 1 d . U . . .
H23A H 0.6233 0.9419 0.3521 0.123 Uiso 1 1 calc R . . . .
H23B H 0.6044 0.9886 0.4148 0.123 Uiso 1 1 calc R . . . .
C24 C 0.6539(6) 1.0857(8) 0.3611(6) 0.122(4) Uani 1 1 d . U . . .
H24A H 0.6496 1.0990 0.3163 0.184 Uiso 1 1 calc GR . . . .
H24B H 0.7089 1.0715 0.3799 0.184 Uiso 1 1 calc GR . . . .
H24C H 0.6362 1.1416 0.3818 0.184 Uiso 1 1 calc GR . . . .
C25 C 0.3347(5) 1.0075(6) 0.3394(5) 0.086(2) Uani 1 1 d D U . . .
H25A H 0.2813 1.0156 0.3134 0.103 Uiso 1 1 calc R . . . .
H25B H 0.3629 1.0689 0.3385 0.103 Uiso 1 1 calc R . . . .
C26 C 0.3257(7) 0.9877(8) 0.4087(5) 0.110(3) Uani 1 1 d D U . . .
H26A H 0.3077 0.9212 0.4125 0.132 Uiso 1 1 calc R . . . .
H26B H 0.3773 0.9957 0.4373 0.132 Uiso 1 1 calc R . . . .
C28 C 0.244(4) 1.059(3) 0.473(2) 0.197(18) Uani 0.58(6) 1 d . U . A 1
H28A H 0.2218 0.9972 0.4805 0.296 Uiso 0.58(6) 1 calc GR . . A 1
H28B H 0.2044 1.1092 0.4719 0.296 Uiso 0.58(6) 1 calc GR . . A 1
H28C H 0.2892 1.0730 0.5073 0.296 Uiso 0.58(6) 1 calc GR . . A 1
C27 C 0.2655(10) 1.0577(12) 0.4269(10) 0.185(7) Uani 1 1 d . U . . .
H27C H 0.2928 1.0985 0.4617 0.222 Uiso 0.42(6) 1 calc R . . A 2
H27D H 0.2461 1.1000 0.3906 0.222 Uiso 0.42(6) 1 calc R . . A 2
H27A H 0.2865 1.1224 0.4216 0.222 Uiso 0.58(6) 1 calc R . . A 1
H27B H 0.2173 1.0511 0.3941 0.222 Uiso 0.58(6) 1 calc R . . A 1
C29 C 0.3731(6) 0.9640(8) 0.2403(4) 0.098(3) Uani 1 1 d . U . . .
H29A H 0.3168 0.9659 0.2194 0.117 Uiso 1 1 calc R . . . .
H29B H 0.3935 1.0302 0.2407 0.117 Uiso 1 1 calc R . . . .
C30 C 0.4163(7) 0.9046(10) 0.2011(5) 0.126(4) Uani 1 1 d . U . . .
H30A H 0.3880 0.8455 0.1850 0.151 Uiso 0.50(2) 1 calc R . . B 1
H30B H 0.4713 0.8901 0.2218 0.151 Uiso 0.50(2) 1 calc R . . B 1
H30C H 0.3893 0.8420 0.1995 0.151 Uiso 0.50(2) 1 calc R . . B 2
H30D H 0.4684 0.8946 0.2288 0.151 Uiso 0.50(2) 1 calc R . . B 2
C32 C 0.4402(14) 0.956(2) 0.0985(11) 0.104(8) Uani 0.50(2) 1 d . U . B 1
H32A H 0.4507 1.0063 0.0701 0.156 Uiso 0.50(2) 1 calc GR . . B 1
H32B H 0.4027 0.9098 0.0753 0.156 Uiso 0.50(2) 1 calc GR . . B 1
H32C H 0.4895 0.9229 0.1163 0.156 Uiso 0.50(2) 1 calc GR . . B 1
C33 C 0.3392(5) 0.8321(6) 0.3113(4) 0.071(2) Uani 1 1 d D U . . .
H33A H 0.3278 0.8241 0.3539 0.085 Uiso 0.36(3) 1 calc R . . C 1
H33B H 0.3800 0.7843 0.3069 0.085 Uiso 0.36(3) 1 calc R . . C 1
H33C H 0.3509 0.8070 0.3547 0.085 Uiso 0.64(3) 1 calc R . . C 2
H33D H 0.3613 0.7872 0.2840 0.085 Uiso 0.64(3) 1 calc R . . C 2
C34 C 0.2619(13) 0.803(3) 0.2635(11) 0.082(7) Uani 0.36(3) 1 d D U . C 1
H34A H 0.2713 0.7445 0.2404 0.098 Uiso 0.36(3) 1 calc R . . C 1
H34B H 0.2458 0.8550 0.2328 0.098 Uiso 0.36(3) 1 calc R . . C 1
C35 C 0.1953(12) 0.784(4) 0.3029(12) 0.105(11) Uani 0.36(3) 1 d D U . C 1
H35A H 0.2132 0.7338 0.3343 0.126 Uiso 0.36(3) 1 calc R . . C 1
H35B H 0.1870 0.8434 0.3259 0.126 Uiso 0.36(3) 1 calc R . . C 1
C36 C 0.1171(5) 0.7542(7) 0.2620(5) 0.097(3) Uani 1 1 d D U . . .
H36A H 0.0780 0.7436 0.2885 0.146 Uiso 0.36(3) 1 calc R . . C 1
H36B H 0.0985 0.8046 0.2315 0.146 Uiso 0.36(3) 1 calc R . . C 1
H36C H 0.1247 0.6950 0.2399 0.146 Uiso 0.36(3) 1 calc R . . C 1
H36D H 0.0910 0.6917 0.2584 0.146 Uiso 0.64(3) 1 calc R . . C 2
H36E H 0.0975 0.7929 0.2934 0.146 Uiso 0.64(3) 1 calc R . . C 2
H36F H 0.1058 0.7868 0.2214 0.146 Uiso 0.64(3) 1 calc R . . C 2
C31 C 0.4090(16) 0.995(2) 0.1457(10) 0.103(7) Uani 0.50(2) 1 d . U . B 1
H31A H 0.3533 1.0136 0.1306 0.123 Uiso 0.50(2) 1 calc R . . B 1
H31B H 0.4394 1.0520 0.1632 0.123 Uiso 0.50(2) 1 calc R . . B 1
C32A C 0.471(2) 1.013(2) 0.1300(16) 0.148(13) Uani 0.50(2) 1 d . U . B 2
H32D H 0.4933 1.0179 0.0922 0.222 Uiso 0.50(2) 1 calc GR . . B 2
H32E H 0.5116 1.0243 0.1671 0.222 Uiso 0.50(2) 1 calc GR . . B 2
H32F H 0.4283 1.0597 0.1282 0.222 Uiso 0.50(2) 1 calc GR . . B 2
C31A C 0.4375(18) 0.914(2) 0.1336(12) 0.118(8) Uani 0.50(2) 1 d . U . B 2
H31C H 0.4770 0.8648 0.1279 0.141 Uiso 0.50(2) 1 calc R . . B 2
H31D H 0.3897 0.9047 0.1007 0.141 Uiso 0.50(2) 1 calc R . . B 2
C28A C 0.196(3) 1.012(5) 0.447(3) 0.20(2) Uani 0.42(6) 1 d . U . A 2
H28D H 0.1616 0.9846 0.4099 0.293 Uiso 0.42(6) 1 calc GR . . A 2
H28E H 0.1670 1.0607 0.4655 0.293 Uiso 0.42(6) 1 calc GR . . A 2
H28F H 0.2143 0.9620 0.4773 0.293 Uiso 0.42(6) 1 calc GR . . A 2
C35A C 0.2030(7) 0.7409(9) 0.2816(13) 0.093(6) Uani 0.64(3) 1 d D U . C 2
H35C H 0.2230 0.7012 0.2504 0.112 Uiso 0.64(3) 1 calc R . . C 2
H35D H 0.2147 0.7073 0.3225 0.112 Uiso 0.64(3) 1 calc R . . C 2
C34A C 0.2453(7) 0.8407(9) 0.2876(11) 0.079(5) Uani 0.64(3) 1 d D U . C 2
H34C H 0.2231 0.8809 0.3174 0.095 Uiso 0.64(3) 1 calc R . . C 2
H34D H 0.2344 0.8729 0.2462 0.095 Uiso 0.64(3) 1 calc R . . C 2


_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
Ag1 N1 2.166(5) . ?
Ag1 N2 2.172(4) 2_556 ?
Ag1 O3 2.506(4) . ?
Mo1 O1 2.386(7) . ?
Mo1 O2 2.398(7) 3_577 ?
Mo1 O8 1.656(4) . ?
Mo1 O10 1.985(5) 3_577 ?
Mo1 O16 2.004(5) . ?
Mo1 O17 1.810(5) . ?
Mo1 O18 1.803(5) . ?
O1 Si1 1.671(7) . ?
O1 Mo4 2.320(7) . ?
O1 Mo5 2.399(7) . ?
O1' Si1 1.651(6) . ?
O1' Mo2 2.336(7) 3_577 ?
O1' Mo3 2.383(7) 3_577 ?
O1' Mo5 2.437(6) 3_577 ?
N1 C1 1.324(7) . ?
N1 C8 1.377(7) . ?
Si1 O1 1.671(7) 3_577 ?
Si1 O1' 1.651(7) 3_577 ?
Si1 O2 1.630(7) 3_577 ?
Si1 O2 1.630(7) . ?
Si1 O2' 1.578(7) . ?
Si1 O2' 1.578(7) 3_577 ?
C1 C2 1.437(7) . ?
C1 C9 1.482(7) . ?
Mo2 O1' 2.336(7) 3_577 ?
Mo2 O2' 2.416(7) . ?
Mo2 O7 1.649(4) . ?
Mo2 O9 2.012(5) . ?
Mo2 O12 1.789(5) . ?
Mo2 O14 1.808(5) . ?
Mo2 O20 2.022(4) . ?
O2 Mo1 2.398(7) 3_577 ?
O2 O2' 1.789(10) 3_577 ?
O2 Mo3 2.422(7) . ?
O2 Mo6 2.348(7) . ?
O2' O2 1.789(10) 3_577 ?
O2' Mo4 2.422(7) 3_577 ?
O2' Mo6 2.415(7) 3_577 ?
C2 N2 1.322(7) . ?
C2 C15 1.489(8) . ?
N2 Ag1 2.172(4) 2_546 ?
N2 C3 1.357(7) . ?
Mo3 O1' 2.383(7) 3_577 ?
Mo3 O6 1.652(4) . ?
Mo3 O9 1.802(6) . ?
Mo3 O10 1.806(5) . ?
Mo3 O15 2.012(5) . ?
Mo3 O19 1.996(5) . ?
O3 Mo4 1.677(4) . ?
N3 C21 1.521(8) . ?
N3 C25 1.476(10) . ?
N3 C29 1.518(10) . ?
N3 C33 1.522(9) . ?
C3 C4 1.403(8) . ?
C3 C8 1.418(8) . ?
O4 Mo6 1.653(4) . ?
Mo4 O2' 2.422(7) 3_577 ?
Mo4 O11 1.967(5) . ?
Mo4 O13 1.999(5) . ?
Mo4 O16 1.818(5) . ?
Mo4 O20 1.796(4) 3_577 ?
C4 C5 1.356(8) . ?
Mo5 O1' 2.437(6) 3_577 ?
Mo5 O5 1.654(4) . ?
Mo5 O13 1.806(6) . ?
Mo5 O14 2.002(5) . ?
Mo5 O18 1.988(5) . ?
Mo5 O19 1.803(5) . ?
C5 C6 1.399(9) . ?
Mo6 O2' 2.415(7) 3_577 ?
Mo6 O11 1.817(4) . ?
Mo6 O12 2.010(5) 3_577 ?
Mo6 O15 1.791(5) . ?
Mo6 O17 1.978(5) 3_577 ?
C6 C7 1.359(9) . ?
C7 C8 1.401(8) . ?
C9 C10 1.379(8) . ?
C9 C14 1.393(8) . ?
O10 Mo1 1.985(5) 3_577 ?
C10 C11 1.385(8) . ?
C11 C12 1.360(10) . ?
O12 Mo6 2.010(5) 3_577 ?
C12 C13 1.383(10) . ?
C13 C14 1.381(9) . ?
C15 C16 1.385(9) . ?
C15 C20 1.383(9) . ?
C16 C17 1.387(10) . ?
O17 Mo6 1.978(5) 3_577 ?
C17 C18 1.367(12) . ?
C18 C19 1.364(13) . ?
C19 C20 1.380(9) . ?
O20 Mo4 1.796(4) 3_577 ?
C21 C22 1.516(10) . ?
C22 C23 1.490(10) . ?
C23 C24 1.501(13) . ?
C25 C26 1.536(8) . ?
C26 C27 1.505(15) . ?
C28 C27 1.11(3) . ?
C27 C28A 1.46(6) . ?
C29 C30 1.459(15) . ?
C30 C31 1.70(3) . ?
C30 C31A 1.55(3) . ?
C32 C31 1.33(4) . ?
C33 C34 1.545(17) . ?
C33 C34A 1.576(13) . ?
C34 C35 1.552(9) . ?
C35 C36 1.494(19) . ?
C36 C35A 1.445(14) . ?
C32A C31A 1.47(4) . ?
C35A C34A 1.538(8) . ?

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 Ag1 N2 154.71(18) . 2_556 ?
N1 Ag1 O3 94.96(16) . . ?
N2 Ag1 O3 110.30(16) 2_556 . ?
O1 Mo1 O2 48.1(2) . 3_577 ?
O8 Mo1 O1 153.1(2) . . ?
O8 Mo1 O2 157.1(2) . 3_577 ?
O8 Mo1 O10 98.7(2) . 3_577 ?
O8 Mo1 O16 97.6(2) . . ?
O8 Mo1 O17 102.8(3) . . ?
O8 Mo1 O18 101.7(3) . . ?
O10 Mo1 O1 92.6(3) 3_577 . ?
O10 Mo1 O2 63.4(2) 3_577 3_577 ?
O10 Mo1 O16 79.9(2) 3_577 . ?
O16 Mo1 O1 60.3(2) . . ?
O16 Mo1 O2 93.2(3) . 3_577 ?
O17 Mo1 O1 101.9(3) . . ?
O17 Mo1 O2 64.6(2) . 3_577 ?
O17 Mo1 O10 88.3(2) . 3_577 ?
O17 Mo1 O16 157.7(3) . . ?
O18 Mo1 O1 64.4(3) . . ?
O18 Mo1 O2 98.9(3) . 3_577 ?
O18 Mo1 O10 156.9(3) . 3_577 ?
O18 Mo1 O16 86.9(2) . . ?
O18 Mo1 O17 97.4(3) . . ?
Mo1 O1 Mo5 95.5(2) . . ?
Si1 O1 Mo1 118.9(3) . . ?
Si1 O1 Mo4 122.6(4) . . ?
Si1 O1 Mo5 119.1(4) . . ?
Mo4 O1 Mo1 98.3(3) . . ?
Mo4 O1 Mo5 96.9(2) . . ?
Si1 O1' Mo2 123.4(3) . 3_577 ?
Si1 O1' Mo3 121.2(3) . 3_577 ?
Si1 O1' Mo5 118.0(3) . 3_577 ?
Mo2 O1' Mo3 97.5(2) 3_577 3_577 ?
Mo2 O1' Mo5 95.8(2) 3_577 3_577 ?
Mo3 O1' Mo5 94.6(2) 3_577 3_577 ?
C1 N1 Ag1 122.1(4) . . ?
C1 N1 C8 118.6(5) . . ?
C8 N1 Ag1 119.3(4) . . ?
O1 Si1 O1 180.0 . 3_577 ?
O1' Si1 O1 106.2(3) . . ?
O1' Si1 O1 73.8(3) . 3_577 ?
O1' Si1 O1 73.8(3) 3_577 . ?
O1' Si1 O1 106.2(3) 3_577 3_577 ?
O1' Si1 O1' 180.0(4) . 3_577 ?
O2 Si1 O1 72.4(3) 3_577 . ?
O2 Si1 O1 72.4(3) . 3_577 ?
O2 Si1 O1 107.6(3) 3_577 3_577 ?
O2 Si1 O1 107.6(3) . . ?
O2 Si1 O1' 71.4(3) 3_577 . ?
O2 Si1 O1' 71.4(3) . 3_577 ?
O2 Si1 O1' 108.6(3) 3_577 3_577 ?
O2 Si1 O1' 108.6(3) . . ?
O2 Si1 O2 180.0 . 3_577 ?
O2' Si1 O1 110.5(3) . . ?
O2' Si1 O1 69.5(3) . 3_577 ?
O2' Si1 O1 69.5(3) 3_577 . ?
O2' Si1 O1 110.5(3) 3_577 3_577 ?
O2' Si1 O1' 111.4(3) 3_577 3_577 ?
O2' Si1 O1' 68.6(3) . 3_577 ?
O2' Si1 O1' 68.6(3) 3_577 . ?
O2' Si1 O1' 111.4(3) . . ?
O2' Si1 O2 112.2(3) . . ?
O2' Si1 O2 67.8(3) 3_577 . ?
O2' Si1 O2 112.2(3) 3_577 3_577 ?
O2' Si1 O2 67.8(3) . 3_577 ?
O2' Si1 O2' 180.0 . 3_577 ?
N1 C1 C2 120.8(5) . . ?
N1 C1 C9 117.6(5) . . ?
C2 C1 C9 121.6(5) . . ?
O1' Mo2 O2' 45.0(2) 3_577 . ?
O7 Mo2 O1' 156.4(3) . 3_577 ?
O7 Mo2 O2' 156.6(3) . . ?
O7 Mo2 O9 98.5(3) . . ?
O7 Mo2 O12 102.3(3) . . ?
O7 Mo2 O14 102.4(3) . . ?
O7 Mo2 O20 97.4(2) . . ?
O9 Mo2 O1' 61.9(3) . 3_577 ?
O9 Mo2 O2' 91.9(3) . . ?
O9 Mo2 O20 78.9(2) . . ?
O12 Mo2 O1' 99.8(3) . 3_577 ?
O12 Mo2 O2' 64.8(2) . . ?
O12 Mo2 O9 156.4(3) . . ?
O12 Mo2 O14 98.5(2) . . ?
O12 Mo2 O20 87.56(19) . . ?
O14 Mo2 O1' 66.0(3) . 3_577 ?
O14 Mo2 O2' 98.9(3) . . ?
O14 Mo2 O9 87.7(2) . . ?
O14 Mo2 O20 157.6(3) . . ?
O20 Mo2 O1' 91.7(2) . 3_577 ?
O20 Mo2 O2' 64.0(2) . . ?
Mo1 O2 Mo3 94.2(2) 3_577 . ?
Si1 O2 Mo1 120.1(3) . 3_577 ?
Si1 O2 O2' 54.7(3) . 3_577 ?
Si1 O2 Mo3 120.0(3) . . ?
Si1 O2 Mo6 124.4(4) . . ?
O2' O2 Mo1 126.4(4) 3_577 3_577 ?
O2' O2 Mo3 137.2(4) 3_577 . ?
O2' O2 Mo6 70.0(3) 3_577 . ?
Mo6 O2 Mo1 95.5(2) . 3_577 ?
Mo6 O2 Mo3 95.6(2) . . ?
Si1 O2' Mo2 122.5(4) . . ?
Si1 O2' O2 57.5(3) . 3_577 ?
Si1 O2' Mo4 121.5(4) . 3_577 ?
Si1 O2' Mo6 123.2(4) . 3_577 ?
Mo2 O2' Mo4 93.7(2) . 3_577 ?
O2 O2' Mo2 126.5(4) 3_577 . ?
O2 O2' Mo4 134.5(4) 3_577 3_577 ?
O2 O2' Mo6 65.9(3) 3_577 3_577 ?
Mo6 O2' Mo2 94.5(2) 3_577 . ?
Mo6 O2' Mo4 93.7(2) 3_577 3_577 ?
C1 C2 C15 121.7(5) . . ?
N2 C2 C1 120.6(5) . . ?
N2 C2 C15 117.7(5) . . ?
C2 N2 Ag1 119.7(4) . 2_546 ?
C2 N2 C3 119.3(5) . . ?
C3 N2 Ag1 120.5(4) . 2_546 ?
O1' Mo3 O2 47.0(2) 3_577 . ?
O6 Mo3 O1' 155.6(2) . 3_577 ?
O6 Mo3 O2 155.8(3) . . ?
O6 Mo3 O9 102.3(3) . . ?
O6 Mo3 O10 102.9(3) . . ?
O6 Mo3 O15 98.5(3) . . ?
O6 Mo3 O19 98.5(3) . . ?
O9 Mo3 O1' 63.4(3) . 3_577 ?
O9 Mo3 O2 100.1(3) . . ?
O9 Mo3 O10 97.6(3) . . ?
O9 Mo3 O15 156.8(3) . . ?
O9 Mo3 O19 88.4(2) . . ?
O10 Mo3 O1' 98.7(3) . 3_577 ?
O10 Mo3 O2 65.0(2) . . ?
O10 Mo3 O15 87.5(2) . . ?
O10 Mo3 O19 156.0(3) . . ?
O15 Mo3 O1' 93.6(3) . 3_577 ?
O15 Mo3 O2 61.5(2) . . ?
O19 Mo3 O1' 63.2(2) . 3_577 ?
O19 Mo3 O2 91.1(3) . . ?
O19 Mo3 O15 78.6(2) . . ?
Mo4 O3 Ag1 123.4(2) . . ?
C21 N3 C33 107.9(5) . . ?
C25 N3 C21 110.0(6) . . ?
C25 N3 C29 106.5(7) . . ?
C25 N3 C33 111.8(6) . . ?
C29 N3 C21 110.4(6) . . ?
C29 N3 C33 110.3(6) . . ?
N2 C3 C4 120.7(5) . . ?
N2 C3 C8 120.2(5) . . ?
C4 C3 C8 119.0(5) . . ?
O1 Mo4 O2' 46.0(2) . 3_577 ?
O3 Mo4 O1 154.0(2) . . ?
O3 Mo4 O2' 158.3(2) . 3_577 ?
O3 Mo4 O11 99.0(2) . . ?
O3 Mo4 O13 96.4(3) . . ?
O3 Mo4 O16 101.5(3) . . ?
O3 Mo4 O20 102.6(2) . 3_577 ?
O11 Mo4 O1 93.0(2) . . ?
O11 Mo4 O2' 63.3(2) . 3_577 ?
O11 Mo4 O13 79.6(2) . . ?
O13 Mo4 O1 63.0(2) . . ?
O13 Mo4 O2' 92.5(3) . 3_577 ?
O16 Mo4 O1 63.9(3) . . ?
O16 Mo4 O2' 98.6(3) . 3_577 ?
O16 Mo4 O11 156.8(3) . . ?
O16 Mo4 O13 87.3(2) . . ?
O20 Mo4 O1 100.6(2) 3_577 . ?
O20 Mo4 O2' 66.7(2) 3_577 3_577 ?
O20 Mo4 O11 89.0(2) 3_577 . ?
O20 Mo4 O13 159.2(3) 3_577 . ?
O20 Mo4 O16 97.1(2) 3_577 . ?
C5 C4 C3 120.2(6) . . ?
O1 Mo5 O1' 48.7(2) . 3_577 ?
O5 Mo5 O1 155.0(2) . . ?
O5 Mo5 O1' 154.5(2) . 3_577 ?
O5 Mo5 O13 102.3(3) . . ?
O5 Mo5 O14 97.6(2) . . ?
O5 Mo5 O18 98.7(3) . . ?
O5 Mo5 O19 102.9(3) . . ?
O13 Mo5 O1 63.7(3) . . ?
O13 Mo5 O1' 101.1(3) . 3_577 ?
O13 Mo5 O14 157.9(3) . . ?
O13 Mo5 O18 88.2(2) . . ?
O14 Mo5 O1 94.3(3) . . ?
O14 Mo5 O1' 61.5(2) . 3_577 ?
O18 Mo5 O1 61.9(2) . . ?
O18 Mo5 O1' 91.7(3) . 3_577 ?
O18 Mo5 O14 79.4(2) . . ?
O19 Mo5 O1 99.5(3) . . ?
O19 Mo5 O1' 64.3(2) . 3_577 ?
O19 Mo5 O13 97.0(3) . . ?
O19 Mo5 O14 87.6(2) . . ?
O19 Mo5 O18 156.0(3) . . ?
C4 C5 C6 120.6(6) . . ?
O2 Mo6 O2' 44.1(2) . 3_577 ?
O4 Mo6 O2 158.5(3) . . ?
O4 Mo6 O2' 155.9(3) . 3_577 ?
O4 Mo6 O11 101.5(3) . . ?
O4 Mo6 O12 98.6(3) . 3_577 ?
O4 Mo6 O15 102.9(3) . . ?
O4 Mo6 O17 99.4(3) . 3_577 ?
O11 Mo6 O2 98.1(2) . . ?
O11 Mo6 O2' 65.1(2) . 3_577 ?
O11 Mo6 O12 86.93(19) . 3_577 ?
O11 Mo6 O17 156.2(3) . 3_577 ?
O12 Mo6 O2 91.3(2) 3_577 . ?
O12 Mo6 O2' 62.3(2) 3_577 3_577 ?
O15 Mo6 O2 65.8(3) . . ?
O15 Mo6 O2' 98.6(3) . 3_577 ?
O15 Mo6 O11 96.6(2) . . ?
O15 Mo6 O12 157.0(3) . 3_577 ?
O15 Mo6 O17 89.5(2) . 3_577 ?
O17 Mo6 O2 63.6(2) 3_577 . ?
O17 Mo6 O2' 91.3(3) 3_577 3_577 ?
O17 Mo6 O12 78.9(2) 3_577 3_577 ?
C7 C6 C5 120.8(6) . . ?
C6 C7 C8 119.9(6) . . ?
N1 C8 C3 119.9(5) . . ?
N1 C8 C7 120.7(5) . . ?
C7 C8 C3 119.4(5) . . ?
Mo3 O9 Mo2 136.9(4) . . ?
C10 C9 C1 122.3(5) . . ?
C10 C9 C14 119.0(6) . . ?
C14 C9 C1 118.7(5) . . ?
Mo3 O10 Mo1 137.3(3) . 3_577 ?
C9 C10 C11 120.6(6) . . ?
Mo6 O11 Mo4 137.6(3) . . ?
C12 C11 C10 119.8(6) . . ?
Mo2 O12 Mo6 138.1(3) . 3_577 ?
C11 C12 C13 120.8(6) . . ?
Mo5 O13 Mo4 136.3(4) . . ?
C14 C13 C12 119.5(7) . . ?
Mo2 O14 Mo5 136.7(3) . . ?
C13 C14 C9 120.2(6) . . ?
Mo6 O15 Mo3 136.7(3) . . ?
C16 C15 C2 123.2(6) . . ?
C20 C15 C2 118.0(6) . . ?
C20 C15 C16 118.8(6) . . ?
Mo4 O16 Mo1 137.4(3) . . ?
C15 C16 C17 120.0(8) . . ?
Mo1 O17 Mo6 136.0(3) . 3_577 ?
C18 C17 C16 120.4(8) . . ?
Mo1 O18 Mo5 138.1(3) . . ?
C19 C18 C17 120.1(8) . . ?
Mo5 O19 Mo3 137.6(3) . . ?
C18 C19 C20 120.2(9) . . ?
Mo4 O20 Mo2 135.2(3) 3_577 . ?
C19 C20 C15 120.6(7) . . ?
C22 C21 N3 115.4(6) . . ?
C23 C22 C21 112.6(7) . . ?
C22 C23 C24 112.5(8) . . ?
N3 C25 C26 116.2(7) . . ?
C27 C26 C25 109.4(11) . . ?
C28 C27 C26 126(3) . . ?
C28A C27 C26 115(3) . . ?
C30 C29 N3 117.1(9) . . ?
C29 C30 C31 90.7(13) . . ?
C29 C30 C31A 135.7(16) . . ?
N3 C33 C34 121.6(14) . . ?
N3 C33 C34A 109.3(7) . . ?
C33 C34 C35 107.3(14) . . ?
C36 C35 C34 112.6(16) . . ?
C32 C31 C30 104(2) . . ?
C32A C31A C30 106(2) . . ?
C36 C35A C34A 109.7(10) . . ?
C35A C34A C33 112.6(9) . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'


####################################################################### 
# 
# 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_compound-5
_database_code_depnum_ccdc_archive 'CCDC 1481873'
_audit_update_record             
;
2016-07-12 deposited with the CCDC.
2016-07-28 downloaded from the CCDC.
;
_audit_creation_date             2016-07-05
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(Mo6 O20 P0.5), C60 H42 Cu3 N6'
_chemical_formula_sum            'C60 H42 Cu3 Mo12 N6 O40 P'
_chemical_formula_weight         2859.86
_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'
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'

_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                   13.2679(6)
_cell_length_b                   13.7650(6)
_cell_length_c                   23.3329(11)
_cell_angle_alpha                79.5090(10)
_cell_angle_beta                 84.7310(10)
_cell_angle_gamma                88.4640(10)
_cell_volume                     4172.2(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    5722
_cell_measurement_temperature    293
_cell_measurement_theta_max      26.50
_cell_measurement_theta_min      2.25
_shelx_estimated_absorpt_T_max   0.697
_shelx_estimated_absorpt_T_min   0.639
_exptl_absorpt_coefficient_mu    2.593
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    2.276
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2740
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0295
_diffrn_reflns_av_unetI/netI     0.0720
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            30427
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.957
_diffrn_reflns_theta_min         0.891
_diffrn_ambient_temperature      293.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       ?
_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                12992
_reflns_number_total             19921
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SMART (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT+ (Bruker, 1999)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         1.164
_refine_diff_density_min         -1.072
_refine_diff_density_rms         0.150
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1138
_refine_ls_number_reflns         19921
_refine_ls_number_restraints     1272
_refine_ls_R_factor_all          0.0847
_refine_ls_R_factor_gt           0.0459
_refine_ls_restrained_S_all      1.055
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0461P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1010
_refine_ls_wR_factor_ref         0.1111
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
3. Others
 Fixed Sof: O1(0.5) O1'(0.5) O2(0.5) O2'(0.5) O21(0.5) O21'(0.5) O22(0.5)
 O22'(0.5)
4.a Aromatic/amide H refined with riding coordinates:
 C5(H5), C6(H6), C7(H7), C8(H8), C10(H10), C11(H11), C12(H12), C13(H13),
 C14(H14), C16(H16), C17(H17), C18(H18), C19(H19), C20(H20), C25(H25), C26(H26),
  C27(H27), C28(H28), C30(H30), C31(H31), C32(H32), C33(H33), C34(H34),
 C36(H36), C37(H37), C38(H38), C39(H39), C40(H40), C45(H45), C46(H46), C47(H47),
  C48(H48), C50(H50), C51(H51), C52(H52), C53(H53), C54(H54), C56(H56),
 C57(H57), C58(H58), C59(H59), C60(H60)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
Mo1 Mo 0.66803(5) 0.70223(4) 0.45380(2) 0.03903(15) Uani 1 1 d . U . . .
P1 P 0.5000 0.5000 0.5000 0.0227(4) Uani 1 2 d S TU P . .
O1 O 0.6144(5) 0.5282(5) 0.4938(3) 0.0253(15) Uani 0.5 1 d . U . . .
O1' O 0.4406(5) 0.5631(5) 0.5382(3) 0.0222(15) Uani 0.5 1 d . U . . .
Cu1 Cu 0.79387(6) 0.44117(6) 0.27340(4) 0.0449(2) Uani 1 1 d . U . . .
N1 N 0.8935(4) 0.5411(3) 0.2693(2) 0.0278(10) Uani 1 1 d . U . . .
C1 C 0.8763(4) 0.6363(4) 0.2778(2) 0.0268(12) Uani 1 1 d . U . . .
Mo2 Mo 0.25554(4) 0.53980(4) 0.56988(2) 0.03197(13) Uani 1 1 d . U . . .
O2 O 0.4636(5) 0.5088(5) 0.4410(3) 0.0275(16) Uani 0.5 1 d . U . . .
O2' O 0.4951(5) 0.3908(5) 0.5319(3) 0.0248(16) Uani 0.5 1 d . U . . .
Cu2 Cu 0.54431(7) 0.05936(6) 0.22732(5) 0.0623(3) Uani 1 1 d . U . . .
N2 N 1.0539(3) 0.6695(3) 0.2603(2) 0.0279(10) Uani 1 1 d . U . . .
C2 C 0.9872(4) 0.5125(4) 0.2546(2) 0.0271(12) Uani 1 1 d . U . . .
P2 P 1.0000 0.0000 0.0000 0.0216(4) Uani 1 2 d S TU P . .
Mo3 Mo 0.27864(4) 0.48505(4) 0.42599(2) 0.03284(13) Uani 1 1 d . U . . .
O3 O 0.4499(4) 0.7432(3) 0.3068(2) 0.0550(13) Uani 1 1 d . U . . .
N3 N 0.7299(3) 0.3232(3) 0.2608(2) 0.0297(11) Uani 1 1 d . U . . .
C3 C 1.0694(4) 0.5793(4) 0.2472(2) 0.0260(12) Uani 1 1 d . U . . .
Cu3 Cu 1.16618(6) 0.75489(6) 0.24778(4) 0.0426(2) Uani 1 1 d . U . . .
Mo4 Mo 0.46977(4) 0.66422(4) 0.36694(2) 0.03197(13) Uani 1 1 d . U . . .
O4 O 0.5303(4) 0.3717(4) 0.3031(2) 0.0546(13) Uani 1 1 d . U . . .
C4 C 0.9575(4) 0.7005(4) 0.2757(3) 0.0294(12) Uani 1 1 d . U . . .
N4 N 0.6281(4) 0.1625(3) 0.2412(2) 0.0366(12) Uani 1 1 d . U . . .
Mo5 Mo 0.41019(4) 0.74534(4) 0.50299(3) 0.03626(14) Uani 1 1 d . U . . .
O5 O 0.1787(3) 0.4733(4) 0.3903(2) 0.0530(13) Uani 1 1 d . U . . .
C5 C 0.9401(5) 0.7976(4) 0.2844(3) 0.0343(14) Uani 1 1 d . U . . .
H5 H 0.9943 0.8385 0.2856 0.041 Uiso 1 1 calc R . . . .
N5 N 0.4393(4) -0.0340(3) 0.2297(3) 0.0399(12) Uani 1 1 d . U . . .
Mo6 Mo 0.51994(4) 0.40949(4) 0.36682(2) 0.02828(12) Uani 1 1 d . U . . .
O6 O 0.3755(4) 0.8598(3) 0.5065(2) 0.0549(13) Uani 1 1 d . U . . .
C6 C 0.8440(5) 0.8316(5) 0.2911(3) 0.0414(15) Uani 1 1 d . U . . .
H6 H 0.8324 0.8967 0.2957 0.050 Uiso 1 1 calc R . . . .
N6 N 0.2797(3) -0.1617(3) 0.2384(2) 0.0304(11) Uani 1 1 d . U . . .
Mo7 Mo 1.15674(4) -0.21170(4) -0.00872(2) 0.03322(13) Uani 1 1 d . U . . .
O7 O 0.7462(4) 0.7942(3) 0.4281(2) 0.0485(12) Uani 1 1 d . U . . .
C7 C 0.7620(5) 0.7701(5) 0.2911(3) 0.0437(16) Uani 1 1 d . U . . .
H7 H 0.6965 0.7955 0.2947 0.052 Uiso 1 1 calc R . . . .
Mo8 Mo 0.95811(4) -0.21955(4) 0.10497(3) 0.03802(14) Uani 1 1 d . U . . .
O8 O 0.1412(3) 0.5630(4) 0.5992(2) 0.0559(13) Uani 1 1 d . U . . .
C8 C 0.7766(5) 0.6733(5) 0.2861(3) 0.0347(14) Uani 1 1 d . U . . .
H8 H 0.7215 0.6321 0.2881 0.042 Uiso 1 1 calc R . . . .
Mo9 Mo 1.26323(4) 0.01257(4) 0.01335(2) 0.03325(13) Uani 1 1 d . U . . .
O9 O 0.5900(4) 0.7029(5) 0.3849(2) 0.0736(16) Uani 1 1 d . U . . .
C9 C 1.0049(5) 0.4077(4) 0.2468(3) 0.0352(14) Uani 1 1 d . U . . .
Mo10 Mo 0.89994(4) -0.21283(4) -0.04139(2) 0.03502(13) Uani 1 1 d . U . . .
O10 O 0.7379(5) 0.5933(3) 0.4191(2) 0.0741(17) Uani 1 1 d . U . . .
C10 C 1.0564(6) 0.3438(5) 0.2873(4) 0.055(2) Uani 1 1 d . U . . .
H10 H 1.0831 0.3666 0.3178 0.066 Uiso 1 1 calc R . . . .
Mo11 Mo 1.08841(4) -0.01743(4) 0.13989(2) 0.03400(13) Uani 1 1 d . U . . .
O11 O 0.2968(4) 0.6753(4) 0.5306(2) 0.0585(14) Uani 1 1 d . U . . .
C11 C 1.0676(7) 0.2454(6) 0.2819(5) 0.083(3) Uani 1 1 d . U . . .
H11 H 1.1021 0.2017 0.3088 0.099 Uiso 1 1 calc R . . . .
Mo12 Mo 0.82369(4) 0.00150(4) 0.12486(3) 0.03670(14) Uani 1 1 d . U . . .
O12 O 0.5169(3) 0.5549(3) 0.3391(2) 0.0564(13) Uani 1 1 d . U . . .
C12 C 1.0279(7) 0.2130(6) 0.2371(5) 0.080(3) Uani 1 1 d . U . . .
H12 H 1.0351 0.1467 0.2342 0.096 Uiso 1 1 calc R . . . .
O13 O 0.3842(3) 0.4151(3) 0.3820(2) 0.0587(14) Uani 1 1 d . U . . .
C13 C 0.9785(6) 0.2737(6) 0.1971(4) 0.066(2) Uani 1 1 d . U . . .
H13 H 0.9526 0.2493 0.1669 0.080 Uiso 1 1 calc R . . . .
O14 O 0.3366(3) 0.5983(3) 0.3846(2) 0.0564(13) Uani 1 1 d . U . . .
C14 C 0.9659(5) 0.3739(5) 0.2007(3) 0.0505(18) Uani 1 1 d . U . . .
H14 H 0.9323 0.4167 0.1730 0.061 Uiso 1 1 calc R . . . .
O15 O 0.4064(4) 0.7402(5) 0.4263(3) 0.0760(17) Uani 1 1 d . U . . .
C15 C 1.1702(4) 0.5576(4) 0.2195(3) 0.0319(13) Uani 1 1 d . U . . .
O16 O 0.2257(5) 0.5366(3) 0.4881(2) 0.0719(17) Uani 1 1 d . U . . .
C16 C 1.2579(5) 0.5574(5) 0.2481(3) 0.0412(15) Uani 1 1 d . U . . .
H16 H 1.2534 0.5655 0.2869 0.049 Uiso 1 1 calc R . . . .
O17 O 0.6655(4) 0.4446(3) 0.3725(2) 0.0577(14) Uani 1 1 d . U . . .
C17 C 1.3509(5) 0.5452(5) 0.2193(4) 0.0545(19) Uani 1 1 d . U . . .
H17 H 1.4089 0.5446 0.2390 0.065 Uiso 1 1 calc R . . . .
O18 O 0.5601(4) 0.7607(5) 0.4858(2) 0.0825(18) Uani 1 1 d . U . . .
C18 C 1.3594(5) 0.5339(5) 0.1621(3) 0.0523(18) Uani 1 1 d . U . . .
H18 H 1.4229 0.5253 0.1430 0.063 Uiso 1 1 calc R . . . .
O19 O 0.7192(5) 0.6456(3) 0.5215(2) 0.0745(17) Uani 1 1 d . U . . .
C19 C 1.2731(6) 0.5354(5) 0.1323(3) 0.0525(18) Uani 1 1 d . U . . .
H19 H 1.2786 0.5293 0.0931 0.063 Uiso 1 1 calc R . . . .
O20 O 0.5428(4) 0.2982(4) 0.4184(2) 0.0667(16) Uani 1 1 d . U . . .
C20 C 1.1791(5) 0.5460(5) 0.1614(3) 0.0423(15) Uani 1 1 d . U . . .
H20 H 1.1212 0.5452 0.1419 0.051 Uiso 1 1 calc R . . . .
O21 O 1.0037(5) -0.1145(6) 0.0075(3) 0.0300(16) Uani 0.5 1 d . U . . .
O21' O 0.8973(5) 0.0344(5) 0.0187(3) 0.0236(16) Uani 0.5 1 d . U . . .
C21 C 0.7360(4) 0.2356(4) 0.2984(3) 0.0308(12) Uani 1 1 d . U . . .
O22 O 1.0806(5) 0.0356(5) 0.0323(3) 0.0277(16) Uani 0.5 1 d . U . . .
O22' O 1.0234(5) 0.0412(5) -0.0674(3) 0.0257(16) Uani 0.5 1 d . U . . .
C22 C 0.6759(4) 0.3312(4) 0.2147(3) 0.0299(12) Uani 1 1 d . U . . .
O23 O 0.9456(3) -0.3236(3) 0.1527(2) 0.0468(12) Uani 1 1 d . U . . .
C23 C 0.6228(4) 0.2477(4) 0.2055(3) 0.0323(13) Uani 1 1 d . U . . .
O24 O 1.2295(4) -0.3088(4) -0.0158(2) 0.0607(15) Uani 1 1 d . U . . .
C24 C 0.6860(4) 0.1523(4) 0.2880(3) 0.0354(14) Uani 1 1 d . U . . .
O25 O 1.3851(3) 0.0130(4) 0.0215(2) 0.0626(15) Uani 1 1 d . U . . .
C25 C 0.6910(5) 0.0622(5) 0.3281(3) 0.0498(18) Uani 1 1 d . U . . .
H25 H 0.6557 0.0075 0.3228 0.060 Uiso 1 1 calc R . . . .
O26 O 0.8475(4) -0.3102(4) -0.0582(2) 0.0621(15) Uani 1 1 d . U . . .
C26 C 0.7466(6) 0.0560(5) 0.3735(4) 0.056(2) Uani 1 1 d . U . . .
H26 H 0.7518 -0.0043 0.3987 0.067 Uiso 1 1 calc R . . . .
O27 O 0.7374(3) -0.0038(3) 0.1822(2) 0.0493(12) Uani 1 1 d . U . . .
C27 C 0.7967(5) 0.1369(5) 0.3840(3) 0.0516(18) Uani 1 1 d . U . . .
H27 H 0.8326 0.1307 0.4169 0.062 Uiso 1 1 calc R . . . .
O28 O 1.1248(4) -0.0182(4) 0.2057(2) 0.0540(13) Uani 1 1 d . U . . .
C28 C 0.7942(5) 0.2242(5) 0.3474(3) 0.0399(15) Uani 1 1 d . U . . .
H28 H 0.8305 0.2772 0.3542 0.048 Uiso 1 1 calc R . . . .
C29 C 0.6755(4) 0.4276(4) 0.1750(3) 0.0343(13) Uani 1 1 d . U . . .
C30 C 0.6485(5) 0.5144(4) 0.1967(3) 0.0406(15) Uani 1 1 d . U . . .
H30 H 0.6247 0.5106 0.2358 0.049 Uiso 1 1 calc R . . . .
C31 C 0.6571(6) 0.6047(5) 0.1603(4) 0.059(2) Uani 1 1 d . U . . .
H31 H 0.6394 0.6619 0.1750 0.071 Uiso 1 1 calc R . . . .
C32 C 0.6925(7) 0.6115(7) 0.1013(4) 0.075(2) Uani 1 1 d . U . . .
H32 H 0.6993 0.6731 0.0771 0.090 Uiso 1 1 calc R . . . .
C33 C 0.7174(8) 0.5261(7) 0.0788(4) 0.087(3) Uani 1 1 d . U . . .
H33 H 0.7403 0.5299 0.0396 0.104 Uiso 1 1 calc R . . . .
O34 O 1.2074(4) -0.0259(3) 0.0956(2) 0.0642(15) Uani 1 1 d . U . . .
C34 C 0.7075(6) 0.4344(6) 0.1164(3) 0.065(2) Uani 1 1 d . U . . .
H34 H 0.7227 0.3769 0.1015 0.078 Uiso 1 1 calc R . . . .
O35 O 1.0917(4) 0.1264(4) 0.1104(2) 0.0652(15) Uani 1 1 d . U . . .
C35 C 0.5540(5) 0.2509(4) 0.1577(3) 0.0405(15) Uani 1 1 d . U . . .
O36 O 1.2432(5) -0.1289(4) 0.0145(2) 0.0651(15) Uani 1 1 d . U . . .
C36 C 0.4657(6) 0.3049(5) 0.1581(4) 0.065(2) Uani 1 1 d . U . . .
H36 H 0.4529 0.3468 0.1851 0.078 Uiso 1 1 calc R . . . .
O37 O 0.7752(4) -0.1401(4) -0.0188(2) 0.0628(14) Uani 1 1 d . U . . .
C37 C 0.3962(7) 0.2978(6) 0.1192(5) 0.084(3) Uani 1 1 d . U . . .
H37 H 0.3355 0.3331 0.1206 0.101 Uiso 1 1 calc R . . . .
O38 O 1.0529(4) -0.1460(4) 0.1431(3) 0.0728(17) Uani 1 1 d . U . . .
C38 C 0.4161(7) 0.2387(7) 0.0784(5) 0.082(3) Uani 1 1 d . U . . .
H38 H 0.3692 0.2347 0.0516 0.099 Uiso 1 1 calc R . . . .
O39 O 0.9426(4) 0.0123(4) 0.1561(3) 0.0776(18) Uani 1 1 d . U . . .
C39 C 0.5049(6) 0.1848(6) 0.0764(4) 0.065(2) Uani 1 1 d . U . . .
H39 H 0.5189 0.1456 0.0481 0.078 Uiso 1 1 calc R . . . .
O40 O 0.8966(4) -0.2488(5) 0.0440(2) 0.0707(16) Uani 1 1 d . U . . .
C40 C 0.5729(5) 0.1899(5) 0.1173(3) 0.0500(18) Uani 1 1 d . U . . .
H40 H 0.6318 0.1517 0.1174 0.060 Uiso 1 1 calc R . . . .
O41 O 1.0345(4) -0.2428(4) -0.0439(2) 0.0663(15) Uani 1 1 d . U . . .
C41 C 0.4366(5) -0.0951(4) 0.1889(3) 0.0354(13) Uani 1 1 d . U . . .
O42 O 0.8571(4) -0.1416(4) 0.1295(3) 0.0776(18) Uani 1 1 d . U . . .
C42 C 0.3651(5) -0.0364(4) 0.2722(3) 0.0371(14) Uani 1 1 d . U . . .
O43 O 1.0883(4) -0.2483(4) 0.0622(2) 0.0685(15) Uani 1 1 d . U . . .
C43 C 0.2849(5) -0.1045(4) 0.2788(3) 0.0343(13) Uani 1 1 d . U . . .
O44 O 0.7366(4) -0.0296(4) 0.0668(2) 0.0653(16) Uani 1 1 d . U . . .
C44 C 0.3529(4) -0.1581(4) 0.1932(3) 0.0305(12) Uani 1 1 d . U . . .
O45 O 0.8181(4) 0.1302(3) 0.0893(2) 0.0583(14) Uani 1 1 d . U . . .
C45 C 0.3459(5) -0.2146(4) 0.1501(3) 0.0360(14) Uani 1 1 d . U . . .
H45 H 0.2897 -0.2541 0.1514 0.043 Uiso 1 1 calc R . . . .
C46 C 0.4214(5) -0.2124(5) 0.1058(3) 0.0475(17) Uani 1 1 d . U . . .
H46 H 0.4161 -0.2503 0.0770 0.057 Uiso 1 1 calc R . . . .
C47 C 0.5060(5) -0.1541(5) 0.1035(3) 0.0518(18) Uani 1 1 d . U . . .
H47 H 0.5579 -0.1548 0.0740 0.062 Uiso 1 1 calc R . . . .
C48 C 0.5135(5) -0.0957(5) 0.1442(3) 0.0491(17) Uani 1 1 d . U . . .
H48 H 0.5700 -0.0563 0.1420 0.059 Uiso 1 1 calc R . . . .
C49 C 0.3678(5) 0.0353(5) 0.3126(3) 0.0435(16) Uani 1 1 d . U . . .
C50 C 0.3863(7) 0.0044(6) 0.3695(4) 0.076(3) Uani 1 1 d . U . . .
H50 H 0.4002 -0.0618 0.3836 0.091 Uiso 1 1 calc R . . . .
C51 C 0.3841(8) 0.0745(6) 0.4065(4) 0.087(3) Uani 1 1 d . U . . .
H51 H 0.3964 0.0545 0.4455 0.105 Uiso 1 1 calc R . . . .
C52 C 0.3642(7) 0.1712(6) 0.3858(4) 0.074(3) Uani 1 1 d . U . . .
H52 H 0.3620 0.2168 0.4108 0.089 Uiso 1 1 calc R . . . .
C53 C 0.3479(6) 0.2013(5) 0.3297(4) 0.063(2) Uani 1 1 d . U . . .
H53 H 0.3345 0.2677 0.3160 0.076 Uiso 1 1 calc R . . . .
C54 C 0.3506(6) 0.1339(5) 0.2914(3) 0.0525(19) Uani 1 1 d . U . . .
H54 H 0.3410 0.1553 0.2521 0.063 Uiso 1 1 calc R . . . .
C55 C 0.2055(5) -0.1159(5) 0.3273(3) 0.0391(14) Uani 1 1 d . U . . .
C56 C 0.1439(6) -0.0367(5) 0.3387(3) 0.0543(18) Uani 1 1 d . U . . .
H56 H 0.1553 0.0261 0.3167 0.065 Uiso 1 1 calc R . . . .
C57 C 0.0654(7) -0.0517(7) 0.3830(4) 0.078(3) Uani 1 1 d . U . . .
H57 H 0.0230 0.0008 0.3894 0.094 Uiso 1 1 calc R . . . .
C58 C 0.0497(8) -0.1423(7) 0.4171(4) 0.088(3) Uani 1 1 d . U . . .
H58 H -0.0025 -0.1516 0.4470 0.106 Uiso 1 1 calc R . . . .
C59 C 0.1114(7) -0.2192(7) 0.4069(4) 0.076(3) Uani 1 1 d . U . . .
H59 H 0.1014 -0.2811 0.4303 0.092 Uiso 1 1 calc R . . . .
C60 C 0.1882(5) -0.2068(5) 0.3625(3) 0.0468(16) Uani 1 1 d . U . . .
H60 H 0.2291 -0.2604 0.3562 0.056 Uiso 1 1 calc R . . . .


_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 O1 2.504(7) . ?
Mo1 O2' 2.510(7) 2_666 ?
Mo1 O7 1.648(4) . ?
Mo1 O9 1.988(5) . ?
Mo1 O10 1.999(5) . ?
Mo1 O18 1.793(6) . ?
Mo1 O19 1.812(5) . ?
P1 O1 1.565(7) 2_666 ?
P1 O1 1.565(7) . ?
P1 O1' 1.511(7) 2_666 ?
P1 O1' 1.511(7) . ?
P1 O2 1.484(7) . ?
P1 O2 1.484(7) 2_666 ?
P1 O2' 1.551(7) 2_666 ?
P1 O2' 1.551(7) . ?
O1 O1' 1.777(9) 2_666 ?
O1 Mo2 2.451(7) 2_666 ?
O1 O2 1.761(10) 2_666 ?
O1 Mo3 2.428(7) 2_666 ?
O1' O1 1.777(9) 2_666 ?
O1' Mo2 2.510(7) . ?
O1' O2 1.644(10) 2_666 ?
O1' O2' 1.788(10) 2_666 ?
O1' Mo6 2.421(7) 2_666 ?
Cu1 N1 1.917(4) . ?
Cu1 N3 1.933(4) . ?
N1 C1 1.370(7) . ?
N1 C2 1.328(7) . ?
C1 C4 1.403(7) . ?
C1 C8 1.413(8) . ?
Mo2 O1 2.451(7) 2_666 ?
Mo2 O8 1.653(5) . ?
Mo2 O10 1.803(5) 2_666 ?
Mo2 O11 1.990(5) . ?
Mo2 O16 1.992(5) . ?
Mo2 O17 1.823(5) 2_666 ?
O2 O1 1.761(10) 2_666 ?
O2 O1' 1.644(10) 2_666 ?
O2 O2' 1.741(10) 2_666 ?
O2 Mo4 2.491(8) . ?
O2 Mo6 2.448(7) . ?
O2' Mo1 2.510(7) 2_666 ?
O2' O1' 1.788(10) 2_666 ?
O2' O2 1.741(10) 2_666 ?
O2' Mo4 2.428(7) 2_666 ?
O2' Mo5 2.448(7) 2_666 ?
Cu2 N4 1.918(4) . ?
Cu2 N5 1.911(5) . ?
N2 C3 1.338(7) . ?
N2 Cu3 1.891(4) . ?
N2 C4 1.374(7) . ?
C2 C3 1.423(7) . ?
C2 C9 1.497(8) . ?
P2 O21 1.554(8) . ?
P2 O21 1.554(8) 2_755 ?
P2 O21' 1.484(7) 2_755 ?
P2 O21' 1.484(7) . ?
P2 O22 1.504(7) 2_755 ?
P2 O22 1.504(7) . ?
P2 O22' 1.578(7) . ?
P2 O22' 1.578(7) 2_755 ?
Mo3 O1 2.428(7) 2_666 ?
Mo3 O5 1.657(4) . ?
Mo3 O13 1.992(5) . ?
Mo3 O14 1.826(5) . ?
Mo3 O16 1.806(5) . ?
Mo3 O19 1.985(5) 2_666 ?
O3 Mo4 1.648(4) . ?
N3 C21 1.360(7) . ?
N3 C22 1.333(7) . ?
C3 C15 1.479(8) . ?
Cu3 N6 1.891(4) 1_665 ?
Mo4 O2' 2.428(7) 2_666 ?
Mo4 O9 1.804(5) . ?
Mo4 O12 1.818(5) . ?
Mo4 O14 1.983(5) . ?
Mo4 O15 1.995(5) . ?
O4 Mo6 1.655(4) . ?
C4 C5 1.399(8) . ?
N4 C23 1.315(8) . ?
N4 C24 1.375(8) . ?
Mo5 O2' 2.448(7) 2_666 ?
Mo5 O6 1.644(4) . ?
Mo5 O11 1.811(5) . ?
Mo5 O15 1.810(5) . ?
Mo5 O18 2.002(5) . ?
Mo5 O20 1.976(5) 2_666 ?
C5 C6 1.352(8) . ?
N5 C41 1.383(8) . ?
N5 C42 1.328(9) . ?
Mo6 O1' 2.421(7) 2_666 ?
Mo6 O12 1.989(4) . ?
Mo6 O13 1.805(5) . ?
Mo6 O17 2.025(4) . ?
Mo6 O20 1.804(5) . ?
C6 C7 1.396(9) . ?
N6 Cu3 1.891(4) 1_445 ?
N6 C43 1.341(7) . ?
N6 C44 1.361(8) . ?
Mo7 O21 2.439(7) . ?
Mo7 O21' 2.501(7) 2_755 ?
Mo7 O24 1.652(4) . ?
Mo7 O36 1.822(5) . ?
Mo7 O41 1.973(5) . ?
Mo7 O43 1.806(5) . ?
Mo7 O45 2.010(5) 2_755 ?
C7 C8 1.367(8) . ?
Mo8 O21 2.495(8) . ?
Mo8 O22' 2.463(7) 2_755 ?
Mo8 O23 1.648(4) . ?
Mo8 O38 2.000(5) . ?
Mo8 O40 1.815(5) . ?
Mo8 O42 1.812(5) . ?
Mo8 O43 1.982(5) . ?
Mo9 O21' 2.461(7) 2_755 ?
Mo9 O22 2.446(7) . ?
Mo9 O25 1.645(4) . ?
Mo9 O34 1.976(5) . ?
Mo9 O36 1.967(5) . ?
Mo9 O37 1.838(5) 2_755 ?
Mo9 O44 1.843(5) 2_755 ?
C9 C10 1.384(9) . ?
C9 C14 1.392(9) . ?
Mo10 O21 2.445(7) . ?
Mo10 O22 2.509(7) 2_755 ?
Mo10 O26 1.651(4) . ?
Mo10 O35 1.816(5) 2_755 ?
Mo10 O37 1.991(5) . ?
Mo10 O40 1.960(5) . ?
Mo10 O41 1.820(5) . ?
O10 Mo2 1.803(5) 2_666 ?
C10 C11 1.385(10) . ?
Mo11 O22 2.494(8) . ?
Mo11 O22' 2.419(7) 2_755 ?
Mo11 O28 1.649(4) . ?
Mo11 O34 1.819(5) . ?
Mo11 O35 1.974(5) . ?
Mo11 O38 1.830(5) . ?
Mo11 O39 1.984(5) . ?
C11 C12 1.361(12) . ?
Mo12 O22' 2.446(7) 2_755 ?
Mo12 O27 1.671(4) . ?
Mo12 O39 1.818(5) . ?
Mo12 O42 1.993(5) . ?
Mo12 O44 1.969(5) . ?
Mo12 O45 1.817(5) . ?
C12 C13 1.340(12) . ?
C13 C14 1.401(9) . ?
C15 C16 1.393(8) . ?
C15 C20 1.387(9) . ?
C16 C17 1.371(9) . ?
O17 Mo2 1.823(5) 2_666 ?
C17 C18 1.367(10) . ?
C18 C19 1.391(10) . ?
O19 Mo3 1.985(5) 2_666 ?
C19 C20 1.381(9) . ?
O20 Mo5 1.976(5) 2_666 ?
O21 O21' 1.731(10) 2_755 ?
O21 O22 1.747(10) 2_755 ?
O21' Mo7 2.501(7) 2_755 ?
O21' Mo9 2.461(7) 2_755 ?
O21' O21 1.731(10) 2_755 ?
O21' O22 1.664(10) 2_755 ?
O21' O22' 1.793(10) 2_755 ?
C21 C24 1.409(7) . ?
C21 C28 1.422(8) . ?
O22 Mo10 2.509(7) 2_755 ?
O22 O21 1.747(10) 2_755 ?
O22 O21' 1.664(10) 2_755 ?
O22 O22' 1.801(10) 2_755 ?
O22' Mo8 2.463(7) 2_755 ?
O22' Mo11 2.419(7) 2_755 ?
O22' Mo12 2.445(7) 2_755 ?
O22' O21' 1.793(10) 2_755 ?
O22' O22 1.801(10) 2_755 ?
C22 C23 1.424(7) . ?
C22 C29 1.473(8) . ?
C23 C35 1.498(9) . ?
C24 C25 1.415(9) . ?
C25 C26 1.335(9) . ?
C26 C27 1.382(9) . ?
C27 C28 1.343(9) . ?
C29 C30 1.406(8) . ?
C29 C34 1.382(9) . ?
C30 C31 1.373(9) . ?
C31 C32 1.401(11) . ?
C32 C33 1.392(12) . ?
C33 C34 1.401(11) . ?
O35 Mo10 1.816(5) 2_755 ?
C35 C36 1.371(9) . ?
C35 C40 1.375(9) . ?
C36 C37 1.371(10) . ?
O37 Mo9 1.838(5) 2_755 ?
C37 C38 1.365(12) . ?
C38 C39 1.377(11) . ?
C39 C40 1.384(9) . ?
C41 C44 1.413(7) . ?
C41 C48 1.393(9) . ?
C42 C43 1.416(8) . ?
C42 C49 1.485(9) . ?
C43 C55 1.463(9) . ?
O44 Mo9 1.842(5) 2_755 ?
C44 C45 1.389(8) . ?
O45 Mo7 2.009(5) 2_755 ?
C45 C46 1.369(9) . ?
C46 C47 1.388(9) . ?
C47 C48 1.361(10) . ?
C49 C50 1.362(10) . ?
C49 C54 1.378(9) . ?
C50 C51 1.405(11) . ?
C51 C52 1.359(11) . ?
C52 C53 1.334(11) . ?
C53 C54 1.398(9) . ?
C55 C56 1.394(9) . ?
C55 C60 1.378(9) . ?
C56 C57 1.389(11) . ?
C57 C58 1.362(12) . ?
C58 C59 1.363(12) . ?
C59 C60 1.374(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
O1 Mo1 O2' 44.1(2) . 2_666 ?
O7 Mo1 O1 157.6(2) . . ?
O7 Mo1 O2' 157.0(2) . 2_666 ?
O7 Mo1 O9 100.6(2) . . ?
O7 Mo1 O10 100.7(2) . . ?
O7 Mo1 O18 103.8(3) . . ?
O7 Mo1 O19 102.8(3) . . ?
O9 Mo1 O1 90.0(2) . . ?
O9 Mo1 O2' 61.4(2) . 2_666 ?
O9 Mo1 O10 79.2(2) . . ?
O10 Mo1 O1 61.6(2) . . ?
O10 Mo1 O2' 90.2(2) . 2_666 ?
O18 Mo1 O1 96.3(3) . . ?
O18 Mo1 O2' 63.5(2) . 2_666 ?
O18 Mo1 O9 87.2(2) . . ?
O18 Mo1 O10 153.7(3) . . ?
O18 Mo1 O19 97.3(3) . . ?
O19 Mo1 O1 64.4(2) . . ?
O19 Mo1 O2' 98.0(3) . 2_666 ?
O19 Mo1 O9 154.3(3) . . ?
O19 Mo1 O10 86.2(2) . . ?
O1 P1 O1 180.0 . 2_666 ?
O1' P1 O1 109.4(4) . . ?
O1' P1 O1 109.4(4) 2_666 2_666 ?
O1' P1 O1 70.6(4) 2_666 . ?
O1' P1 O1 70.6(4) . 2_666 ?
O1' P1 O1' 180.0 2_666 . ?
O1' P1 O2' 108.6(4) 2_666 2_666 ?
O1' P1 O2' 71.4(4) . 2_666 ?
O1' P1 O2' 71.4(4) 2_666 . ?
O1' P1 O2' 108.6(4) . . ?
O2 P1 O1 70.5(4) 2_666 . ?
O2 P1 O1 109.5(4) . . ?
O2 P1 O1 109.5(4) 2_666 2_666 ?
O2 P1 O1 70.5(4) . 2_666 ?
O2 P1 O1' 66.6(4) 2_666 . ?
O2 P1 O1' 113.4(4) 2_666 2_666 ?
O2 P1 O1' 113.4(4) . . ?
O2 P1 O1' 66.6(4) . 2_666 ?
O2 P1 O2 180.0 . 2_666 ?
O2 P1 O2' 110.0(4) 2_666 2_666 ?
O2 P1 O2' 110.0(4) . . ?
O2 P1 O2' 70.0(4) 2_666 . ?
O2 P1 O2' 70.0(4) . 2_666 ?
O2' P1 O1 74.4(4) . 2_666 ?
O2' P1 O1 74.4(4) 2_666 . ?
O2' P1 O1 105.6(4) . . ?
O2' P1 O1 105.6(4) 2_666 2_666 ?
O2' P1 O2' 180.0(5) 2_666 . ?
P1 O1 Mo1 120.4(4) . . ?
P1 O1 O1' 53.3(3) . 2_666 ?
P1 O1 Mo2 123.9(3) . 2_666 ?
P1 O1 O2 52.6(3) . 2_666 ?
P1 O1 Mo3 125.4(4) . 2_666 ?
O1' O1 Mo1 132.4(4) 2_666 . ?
O1' O1 Mo2 70.8(3) 2_666 2_666 ?
O1' O1 Mo3 131.7(4) 2_666 2_666 ?
Mo2 O1 Mo1 92.5(3) 2_666 . ?
O2 O1 Mo1 124.8(4) 2_666 . ?
O2 O1 O1' 90.1(5) 2_666 2_666 ?
O2 O1 Mo2 140.0(5) 2_666 2_666 ?
O2 O1 Mo3 73.0(3) 2_666 2_666 ?
Mo3 O1 Mo1 92.3(2) 2_666 . ?
Mo3 O1 Mo2 93.6(2) 2_666 2_666 ?
P1 O1' O1 56.1(3) . 2_666 ?
P1 O1' Mo2 123.2(4) . . ?
P1 O1' O2 55.9(3) . 2_666 ?
P1 O1' O2' 55.3(3) . 2_666 ?
P1 O1' Mo6 126.7(4) . 2_666 ?
O1 O1' Mo2 67.3(3) 2_666 . ?
O1 O1' O2' 88.3(4) 2_666 2_666 ?
O1 O1' Mo6 139.6(4) 2_666 2_666 ?
O2 O1' O1 93.3(5) 2_666 2_666 ?
O2 O1' Mo2 128.6(5) 2_666 . ?
O2 O1' O2' 92.8(5) 2_666 2_666 ?
O2 O1' Mo6 71.1(3) 2_666 2_666 ?
O2' O1' Mo2 131.1(4) 2_666 . ?
O2' O1' Mo6 128.3(4) 2_666 2_666 ?
Mo6 O1' Mo2 93.2(2) 2_666 . ?
N1 Cu1 N3 160.4(2) . . ?
C1 N1 Cu1 126.8(4) . . ?
C2 N1 Cu1 114.0(4) . . ?
C2 N1 C1 119.2(5) . . ?
N1 C1 C4 120.4(5) . . ?
N1 C1 C8 120.9(5) . . ?
C4 C1 C8 118.6(5) . . ?
O1 Mo2 O1' 42.0(2) 2_666 . ?
O8 Mo2 O1 158.3(2) . 2_666 ?
O8 Mo2 O1' 158.7(2) . . ?
O8 Mo2 O10 103.8(3) . 2_666 ?
O8 Mo2 O11 100.4(2) . . ?
O8 Mo2 O16 100.4(2) . . ?
O8 Mo2 O17 101.8(2) . 2_666 ?
O10 Mo2 O1 64.9(3) 2_666 2_666 ?
O10 Mo2 O1' 94.7(3) 2_666 . ?
O10 Mo2 O11 154.1(3) 2_666 . ?
O10 Mo2 O16 87.1(2) 2_666 . ?
O10 Mo2 O17 97.2(2) 2_666 2_666 ?
O11 Mo2 O1 89.2(2) . 2_666 ?
O11 Mo2 O1' 63.9(2) . . ?
O11 Mo2 O16 79.4(2) . . ?
O16 Mo2 O1 62.0(2) . 2_666 ?
O16 Mo2 O1' 91.0(2) . . ?
O17 Mo2 O1 98.0(2) 2_666 2_666 ?
O17 Mo2 O1' 64.8(2) 2_666 . ?
O17 Mo2 O11 86.89(19) 2_666 . ?
O17 Mo2 O16 155.6(3) 2_666 . ?
P1 O2 O1 56.9(3) . 2_666 ?
P1 O2 O1' 57.5(3) . 2_666 ?
P1 O2 O2' 56.8(3) . 2_666 ?
P1 O2 Mo4 123.9(4) . . ?
P1 O2 Mo6 126.5(4) . . ?
O1 O2 Mo4 132.0(4) 2_666 . ?
O1 O2 Mo6 127.6(4) 2_666 . ?
O1' O2 O1 94.9(5) 2_666 2_666 ?
O1' O2 O2' 94.5(5) 2_666 2_666 ?
O1' O2 Mo4 127.3(5) 2_666 . ?
O1' O2 Mo6 69.4(3) 2_666 . ?
O2' O2 O1 90.3(5) 2_666 2_666 ?
O2' O2 Mo4 67.3(3) 2_666 . ?
O2' O2 Mo6 138.7(5) 2_666 . ?
Mo6 O2 Mo4 92.0(3) . . ?
P1 O2' Mo1 120.7(4) . 2_666 ?
P1 O2' O1' 53.2(3) . 2_666 ?
P1 O2' O2 53.2(3) . 2_666 ?
P1 O2' Mo4 124.2(4) . 2_666 ?
P1 O2' Mo5 124.3(4) . 2_666 ?
O1' O2' Mo1 123.9(4) 2_666 2_666 ?
O1' O2' Mo4 140.3(4) 2_666 2_666 ?
O1' O2' Mo5 71.3(3) 2_666 2_666 ?
O2 O2' Mo1 133.6(4) 2_666 2_666 ?
O2 O2' O1' 90.4(5) 2_666 2_666 ?
O2 O2' Mo4 71.2(3) 2_666 2_666 ?
O2 O2' Mo5 130.8(4) 2_666 2_666 ?
Mo4 O2' Mo1 92.6(2) 2_666 2_666 ?
Mo4 O2' Mo5 94.1(2) 2_666 2_666 ?
Mo5 O2' Mo1 92.3(2) 2_666 2_666 ?
N5 Cu2 N4 165.3(2) . . ?
C3 N2 Cu3 117.1(4) . . ?
C3 N2 C4 120.0(5) . . ?
C4 N2 Cu3 122.5(4) . . ?
N1 C2 C3 121.0(5) . . ?
N1 C2 C9 118.5(5) . . ?
C3 C2 C9 120.6(5) . . ?
O21 P2 O21 180.0 2_755 . ?
O21 P2 O22' 73.5(4) 2_755 . ?
O21 P2 O22' 106.5(4) . . ?
O21 P2 O22' 73.5(4) . 2_755 ?
O21 P2 O22' 106.5(4) 2_755 2_755 ?
O21' P2 O21 69.4(4) 2_755 . ?
O21' P2 O21 110.6(4) 2_755 2_755 ?
O21' P2 O21 110.6(4) . . ?
O21' P2 O21 69.4(4) . 2_755 ?
O21' P2 O21' 180.0 2_755 . ?
O21' P2 O22 67.7(4) . 2_755 ?
O21' P2 O22 67.7(4) 2_755 . ?
O21' P2 O22 112.3(4) . . ?
O21' P2 O22 112.3(4) 2_755 2_755 ?
O21' P2 O22' 108.4(4) 2_755 2_755 ?
O21' P2 O22' 71.6(4) 2_755 . ?
O21' P2 O22' 71.6(4) . 2_755 ?
O21' P2 O22' 108.4(4) . . ?
O22 P2 O21 69.7(4) . 2_755 ?
O22 P2 O21 110.3(4) 2_755 2_755 ?
O22 P2 O21 110.3(4) . . ?
O22 P2 O21 69.7(4) 2_755 . ?
O22 P2 O22 180.0 2_755 . ?
O22 P2 O22' 71.5(4) 2_755 . ?
O22 P2 O22' 71.5(4) . 2_755 ?
O22 P2 O22' 108.5(4) . . ?
O22 P2 O22' 108.5(4) 2_755 2_755 ?
O22' P2 O22' 180.0(2) . 2_755 ?
O5 Mo3 O1 159.8(3) . 2_666 ?
O5 Mo3 O13 100.9(2) . . ?
O5 Mo3 O14 102.9(2) . . ?
O5 Mo3 O16 103.3(3) . . ?
O5 Mo3 O19 100.9(3) . 2_666 ?
O13 Mo3 O1 89.9(2) . 2_666 ?
O14 Mo3 O1 94.9(2) . 2_666 ?
O14 Mo3 O13 85.46(19) . . ?
O14 Mo3 O19 153.9(2) . 2_666 ?
O16 Mo3 O1 64.6(3) . 2_666 ?
O16 Mo3 O13 154.5(3) . . ?
O16 Mo3 O14 96.9(2) . . ?
O16 Mo3 O19 88.0(2) . 2_666 ?
O19 Mo3 O1 64.1(2) 2_666 2_666 ?
O19 Mo3 O13 79.5(2) 2_666 . ?
C21 N3 Cu1 122.0(4) . . ?
C22 N3 Cu1 117.4(4) . . ?
C22 N3 C21 120.6(5) . . ?
N2 C3 C2 119.6(5) . . ?
N2 C3 C15 117.4(5) . . ?
C2 C3 C15 122.6(5) . . ?
N2 Cu3 N6 177.7(2) . 1_665 ?
O2' Mo4 O2 41.4(2) 2_666 . ?
O3 Mo4 O2 160.0(2) . . ?
O3 Mo4 O2' 157.4(2) . 2_666 ?
O3 Mo4 O9 102.7(3) . . ?
O3 Mo4 O12 102.9(2) . . ?
O3 Mo4 O14 100.8(2) . . ?
O3 Mo4 O15 99.3(3) . . ?
O9 Mo4 O2 94.9(3) . . ?
O9 Mo4 O2' 65.2(3) . 2_666 ?
O9 Mo4 O12 96.6(2) . . ?
O9 Mo4 O14 154.6(3) . . ?
O9 Mo4 O15 86.6(2) . . ?
O12 Mo4 O2 65.2(2) . . ?
O12 Mo4 O2' 97.6(2) . 2_666 ?
O12 Mo4 O14 87.3(2) . . ?
O12 Mo4 O15 156.1(3) . . ?
O14 Mo4 O2 63.9(2) . . ?
O14 Mo4 O2' 89.4(2) . 2_666 ?
O14 Mo4 O15 80.2(2) . . ?
O15 Mo4 O2 91.0(3) . . ?
O15 Mo4 O2' 62.3(2) . 2_666 ?
N2 C4 C1 119.3(5) . . ?
N2 C4 C5 120.0(5) . . ?
C5 C4 C1 120.6(5) . . ?
C23 N4 Cu2 116.2(4) . . ?
C23 N4 C24 120.5(5) . . ?
C24 N4 Cu2 123.1(4) . . ?
O6 Mo5 O2' 158.3(3) . 2_666 ?
O6 Mo5 O11 103.5(3) . . ?
O6 Mo5 O15 103.1(3) . . ?
O6 Mo5 O18 100.8(3) . . ?
O6 Mo5 O20 100.7(2) . 2_666 ?
O11 Mo5 O2' 95.9(2) . 2_666 ?
O11 Mo5 O18 153.5(3) . . ?
O11 Mo5 O20 86.5(2) . 2_666 ?
O15 Mo5 O2' 63.9(3) . 2_666 ?
O15 Mo5 O11 97.9(2) . . ?
O15 Mo5 O18 86.6(2) . . ?
O15 Mo5 O20 153.9(3) . 2_666 ?
O18 Mo5 O2' 62.7(2) . 2_666 ?
O20 Mo5 O2' 90.1(2) 2_666 2_666 ?
O20 Mo5 O18 78.7(2) 2_666 . ?
C6 C5 C4 119.4(6) . . ?
C41 N5 Cu2 123.1(5) . . ?
C42 N5 Cu2 116.7(4) . . ?
C42 N5 C41 120.1(5) . . ?
O1' Mo6 O2 39.5(2) 2_666 . ?
O4 Mo6 O1' 160.7(2) . 2_666 ?
O4 Mo6 O2 159.0(3) . . ?
O4 Mo6 O12 99.8(2) . . ?
O4 Mo6 O13 101.4(2) . . ?
O4 Mo6 O17 100.6(2) . . ?
O4 Mo6 O20 103.3(3) . . ?
O12 Mo6 O1' 89.4(2) . 2_666 ?
O12 Mo6 O2 64.3(2) . . ?
O12 Mo6 O17 78.79(18) . . ?
O13 Mo6 O1' 95.8(2) . 2_666 ?
O13 Mo6 O2 66.0(2) . . ?
O13 Mo6 O12 87.98(19) . . ?
O13 Mo6 O17 156.0(2) . . ?
O17 Mo6 O1' 64.4(2) . 2_666 ?
O17 Mo6 O2 90.1(2) . . ?
O20 Mo6 O1' 65.5(2) . 2_666 ?
O20 Mo6 O2 95.4(3) . . ?
O20 Mo6 O12 154.6(2) . . ?
O20 Mo6 O13 97.7(2) . . ?
O20 Mo6 O17 86.59(19) . . ?
C5 C6 C7 120.9(6) . . ?
C43 N6 Cu3 116.5(4) . 1_445 ?
C43 N6 C44 120.8(5) . . ?
C44 N6 Cu3 122.8(4) . 1_445 ?
O21 Mo7 O21' 41.0(2) . 2_755 ?
O24 Mo7 O21 159.4(3) . . ?
O24 Mo7 O21' 158.9(3) . 2_755 ?
O24 Mo7 O36 102.5(3) . . ?
O24 Mo7 O41 101.4(2) . . ?
O24 Mo7 O43 103.3(3) . . ?
O24 Mo7 O45 100.4(2) . 2_755 ?
O36 Mo7 O21 96.1(3) . . ?
O36 Mo7 O21' 63.7(2) . 2_755 ?
O36 Mo7 O41 154.1(2) . . ?
O36 Mo7 O45 86.5(2) . 2_755 ?
O41 Mo7 O21 62.2(2) . . ?
O41 Mo7 O21' 90.5(2) . 2_755 ?
O41 Mo7 O45 79.8(2) . 2_755 ?
O43 Mo7 O21 65.6(3) . . ?
O43 Mo7 O21' 94.4(3) . 2_755 ?
O43 Mo7 O36 95.9(2) . . ?
O43 Mo7 O41 87.9(2) . . ?
O43 Mo7 O45 155.1(2) . 2_755 ?
O45 Mo7 O21 89.5(2) 2_755 . ?
O45 Mo7 O21' 64.4(2) 2_755 2_755 ?
C8 C7 C6 120.9(6) . . ?
O22' Mo8 O21 44.4(2) 2_755 . ?
O23 Mo8 O21 155.8(2) . . ?
O23 Mo8 O22' 158.9(2) . 2_755 ?
O23 Mo8 O38 101.0(2) . . ?
O23 Mo8 O40 101.8(2) . . ?
O23 Mo8 O42 103.7(3) . . ?
O23 Mo8 O43 99.3(2) . . ?
O38 Mo8 O21 91.5(3) . . ?
O38 Mo8 O22' 62.7(2) . 2_755 ?
O40 Mo8 O21 63.7(2) . . ?
O40 Mo8 O22' 96.9(3) . 2_755 ?
O40 Mo8 O38 155.2(3) . . ?
O40 Mo8 O43 87.1(2) . . ?
O42 Mo8 O21 97.4(3) . . ?
O42 Mo8 O22' 64.4(3) . 2_755 ?
O42 Mo8 O38 87.7(2) . . ?
O42 Mo8 O40 96.1(3) . . ?
O42 Mo8 O43 155.6(3) . . ?
O43 Mo8 O21 62.4(2) . . ?
O43 Mo8 O22' 91.3(2) . 2_755 ?
O43 Mo8 O38 79.9(2) . . ?
C7 C8 C1 119.4(6) . . ?
O22 Mo9 O21' 39.6(2) . 2_755 ?
O25 Mo9 O21' 159.3(3) . 2_755 ?
O25 Mo9 O22 160.1(3) . . ?
O25 Mo9 O34 100.7(3) . . ?
O25 Mo9 O36 100.5(3) . . ?
O25 Mo9 O37 102.3(3) . 2_755 ?
O25 Mo9 O44 101.6(3) . 2_755 ?
O34 Mo9 O21' 89.4(2) . 2_755 ?
O34 Mo9 O22 64.1(2) . . ?
O36 Mo9 O21' 63.0(2) . 2_755 ?
O36 Mo9 O22 90.1(2) . . ?
O36 Mo9 O34 81.3(2) . . ?
O37 Mo9 O21' 96.1(2) 2_755 2_755 ?
O37 Mo9 O22 66.0(2) 2_755 . ?
O37 Mo9 O34 87.4(2) 2_755 . ?
O37 Mo9 O36 156.1(3) 2_755 . ?
O37 Mo9 O44 95.7(2) 2_755 2_755 ?
O44 Mo9 O21' 66.9(2) 2_755 2_755 ?
O44 Mo9 O22 95.7(3) 2_755 . ?
O44 Mo9 O34 156.3(2) 2_755 . ?
O44 Mo9 O36 86.8(2) 2_755 . ?
Mo4 O9 Mo1 140.5(3) . . ?
C10 C9 C2 119.3(6) . . ?
C10 C9 C14 120.4(6) . . ?
C14 C9 C2 120.2(6) . . ?
O21 Mo10 O22 41.3(2) . 2_755 ?
O26 Mo10 O21 159.9(3) . . ?
O26 Mo10 O22 157.8(2) . 2_755 ?
O26 Mo10 O35 102.7(3) . 2_755 ?
O26 Mo10 O37 99.3(2) . . ?
O26 Mo10 O40 101.6(3) . . ?
O26 Mo10 O41 104.3(3) . . ?
O35 Mo10 O21 94.8(3) 2_755 . ?
O35 Mo10 O22 65.4(2) 2_755 2_755 ?
O35 Mo10 O37 87.2(2) 2_755 . ?
O35 Mo10 O40 154.1(2) 2_755 . ?
O35 Mo10 O41 95.2(2) 2_755 . ?
O37 Mo10 O21 91.4(2) . . ?
O37 Mo10 O22 62.9(2) . 2_755 ?
O40 Mo10 O21 63.3(2) . . ?
O40 Mo10 O22 88.7(3) . 2_755 ?
O40 Mo10 O37 80.2(2) . . ?
O41 Mo10 O21 63.8(3) . . ?
O41 Mo10 O22 95.7(2) . 2_755 ?
O41 Mo10 O37 155.1(2) . . ?
O41 Mo10 O40 87.3(2) . . ?
Mo2 O10 Mo1 140.6(3) 2_666 . ?
C9 C10 C11 119.3(7) . . ?
O22' Mo11 O22 43.0(2) 2_755 . ?
O28 Mo11 O22 158.2(3) . . ?
O28 Mo11 O22' 157.4(3) . 2_755 ?
O28 Mo11 O34 103.1(2) . . ?
O28 Mo11 O35 98.8(2) . . ?
O28 Mo11 O38 102.9(3) . . ?
O28 Mo11 O39 98.7(3) . . ?
O34 Mo11 O22 64.7(2) . . ?
O34 Mo11 O22' 97.5(2) . 2_755 ?
O34 Mo11 O35 87.3(2) . . ?
O34 Mo11 O38 95.2(2) . . ?
O34 Mo11 O39 156.9(3) . . ?
O35 Mo11 O22 64.0(2) . . ?
O35 Mo11 O22' 91.3(2) . 2_755 ?
O35 Mo11 O39 81.6(2) . . ?
O38 Mo11 O22 96.4(3) . . ?
O38 Mo11 O22' 65.6(2) . 2_755 ?
O38 Mo11 O35 156.9(2) . . ?
O38 Mo11 O39 87.6(2) . . ?
O39 Mo11 O22 92.1(3) . . ?
O39 Mo11 O22' 62.8(2) . 2_755 ?
Mo5 O11 Mo2 140.0(3) . . ?
C12 C11 C10 119.7(9) . . ?
O27 Mo12 O22' 158.1(2) . 2_755 ?
O27 Mo12 O39 103.4(3) . . ?
O27 Mo12 O42 100.3(2) . . ?
O27 Mo12 O44 99.2(2) . . ?
O27 Mo12 O45 103.1(2) . . ?
O39 Mo12 O22' 64.0(3) . 2_755 ?
O39 Mo12 O42 87.0(2) . . ?
O39 Mo12 O44 155.8(3) . . ?
O42 Mo12 O22' 62.7(2) . 2_755 ?
O44 Mo12 O22' 91.7(2) . 2_755 ?
O44 Mo12 O42 80.5(2) . . ?
O45 Mo12 O22' 96.1(2) . 2_755 ?
O45 Mo12 O39 95.1(2) . . ?
O45 Mo12 O42 155.2(3) . . ?
O45 Mo12 O44 88.0(2) . . ?
Mo4 O12 Mo6 137.7(3) . . ?
C13 C12 C11 122.1(8) . . ?
Mo6 O13 Mo3 140.4(3) . . ?
C12 C13 C14 120.2(8) . . ?
Mo3 O14 Mo4 140.7(3) . . ?
C9 C14 C13 118.3(7) . . ?
Mo5 O15 Mo4 139.3(3) . . ?
C16 C15 C3 122.1(6) . . ?
C20 C15 C3 119.0(5) . . ?
C20 C15 C16 118.7(6) . . ?
Mo3 O16 Mo2 139.0(3) . . ?
C17 C16 C15 120.5(7) . . ?
Mo2 O17 Mo6 137.1(3) 2_666 . ?
C18 C17 C16 120.7(7) . . ?
Mo1 O18 Mo5 140.9(3) . . ?
C17 C18 C19 119.9(7) . . ?
Mo1 O19 Mo3 139.0(3) . 2_666 ?
C20 C19 C18 119.5(7) . . ?
Mo6 O20 Mo5 140.8(3) . 2_666 ?
C19 C20 C15 120.7(6) . . ?
P2 O21 Mo7 124.6(4) . . ?
P2 O21 Mo8 120.6(4) . . ?
P2 O21 Mo10 125.0(4) . . ?
P2 O21 O21' 53.4(3) . 2_755 ?
P2 O21 O22 53.8(3) . 2_755 ?
Mo7 O21 Mo8 92.1(2) . . ?
Mo7 O21 Mo10 93.6(3) . . ?
Mo10 O21 Mo8 92.0(3) . . ?
O21' O21 Mo7 71.4(3) 2_755 . ?
O21' O21 Mo8 132.5(4) 2_755 . ?
O21' O21 Mo10 132.0(5) 2_755 . ?
O21' O21 O22 91.0(5) 2_755 2_755 ?
O22 O21 Mo7 139.8(5) 2_755 . ?
O22 O21 Mo8 124.5(5) 2_755 . ?
O22 O21 Mo10 71.3(3) 2_755 . ?
P2 O21' Mo7 124.6(4) . 2_755 ?
P2 O21' Mo9 126.2(4) . 2_755 ?
P2 O21' O21 57.2(3) . 2_755 ?
P2 O21' O22 56.7(4) . 2_755 ?
P2 O21' O22' 56.6(3) . 2_755 ?
Mo9 O21' Mo7 92.0(2) 2_755 2_755 ?
O21 O21' Mo7 67.6(3) 2_755 2_755 ?
O21 O21' Mo9 138.4(4) 2_755 2_755 ?
O21 O21' O22' 90.8(5) 2_755 2_755 ?
O22 O21' Mo7 129.8(4) 2_755 2_755 ?
O22 O21' Mo9 69.7(3) 2_755 2_755 ?
O22 O21' O21 95.4(5) 2_755 2_755 ?
O22 O21' O22' 92.6(5) 2_755 2_755 ?
O22' O21' Mo7 132.3(4) 2_755 2_755 ?
O22' O21' Mo9 127.1(4) 2_755 2_755 ?
N3 C21 C24 119.8(6) . . ?
N3 C21 C28 121.9(5) . . ?
C24 C21 C28 118.3(6) . . ?
P2 O22 Mo9 126.1(4) . . ?
P2 O22 Mo10 123.8(4) . 2_755 ?
P2 O22 Mo11 122.3(4) . . ?
P2 O22 O21 56.5(3) . 2_755 ?
P2 O22 O21' 55.6(3) . 2_755 ?
P2 O22 O22' 56.2(3) . 2_755 ?
Mo9 O22 Mo10 92.4(2) . 2_755 ?
Mo9 O22 Mo11 91.9(2) . . ?
Mo11 O22 Mo10 90.7(2) . 2_755 ?
O21 O22 Mo9 130.2(5) 2_755 . ?
O21 O22 Mo10 67.4(3) 2_755 2_755 ?
O21 O22 Mo11 131.1(5) 2_755 . ?
O21 O22 O22' 90.0(5) 2_755 2_755 ?
O21' O22 Mo9 70.7(3) 2_755 . ?
O21' O22 Mo10 138.0(5) 2_755 2_755 ?
O21' O22 Mo11 126.8(4) 2_755 . ?
O21' O22 O21 94.1(5) 2_755 2_755 ?
O21' O22 O22' 91.5(5) 2_755 2_755 ?
O22' O22 Mo9 135.6(4) 2_755 . ?
O22' O22 Mo10 124.2(4) 2_755 2_755 ?
O22' O22 Mo11 66.3(3) 2_755 . ?
P2 O22' Mo8 121.2(4) . 2_755 ?
P2 O22' Mo11 122.9(4) . 2_755 ?
P2 O22' Mo12 123.5(4) . 2_755 ?
P2 O22' O21' 51.7(3) . 2_755 ?
P2 O22' O22 52.3(3) . 2_755 ?
Mo11 O22' Mo8 93.9(2) 2_755 2_755 ?
Mo11 O22' Mo12 94.1(2) 2_755 2_755 ?
Mo12 O22' Mo8 93.2(2) 2_755 2_755 ?
O21' O22' Mo8 126.3(4) 2_755 2_755 ?
O21' O22' Mo11 137.1(4) 2_755 2_755 ?
O21' O22' Mo12 71.9(3) 2_755 2_755 ?
O21' O22' O22 87.3(5) 2_755 2_755 ?
O22 O22' Mo8 134.0(4) 2_755 2_755 ?
O22 O22' Mo11 70.7(3) 2_755 2_755 ?
O22 O22' Mo12 129.8(4) 2_755 2_755 ?
N3 C22 C23 119.5(5) . . ?
N3 C22 C29 117.4(5) . . ?
C23 C22 C29 123.1(6) . . ?
N4 C23 C22 120.6(6) . . ?
N4 C23 C35 115.6(5) . . ?
C22 C23 C35 123.7(6) . . ?
N4 C24 C21 119.0(6) . . ?
N4 C24 C25 121.7(5) . . ?
C21 C24 C25 119.2(6) . . ?
C26 C25 C24 119.8(6) . . ?
C25 C26 C27 121.6(7) . . ?
C28 C27 C26 120.9(7) . . ?
C27 C28 C21 120.0(6) . . ?
C30 C29 C22 120.6(6) . . ?
C34 C29 C22 120.2(6) . . ?
C34 C29 C30 119.1(6) . . ?
C31 C30 C29 120.1(7) . . ?
C30 C31 C32 120.6(8) . . ?
C33 C32 C31 120.0(8) . . ?
C32 C33 C34 118.8(9) . . ?
Mo11 O34 Mo9 138.8(3) . . ?
C29 C34 C33 121.3(8) . . ?
Mo10 O35 Mo11 139.6(3) 2_755 . ?
C36 C35 C23 120.4(6) . . ?
C36 C35 C40 119.3(6) . . ?
C40 C35 C23 119.8(6) . . ?
Mo7 O36 Mo9 140.7(3) . . ?
C37 C36 C35 120.6(7) . . ?
Mo9 O37 Mo10 138.1(3) 2_755 . ?
C38 C37 C36 119.9(8) . . ?
Mo11 O38 Mo8 137.3(3) . . ?
C37 C38 C39 120.7(8) . . ?
Mo12 O39 Mo11 138.8(3) . . ?
C38 C39 C40 118.9(8) . . ?
Mo8 O40 Mo10 140.6(3) . . ?
C35 C40 C39 120.5(7) . . ?
Mo10 O41 Mo7 139.6(3) . . ?
N5 C41 C44 118.5(6) . . ?
N5 C41 C48 121.9(6) . . ?
C48 C41 C44 119.6(6) . . ?
Mo8 O42 Mo12 139.3(3) . . ?
N5 C42 C43 121.3(6) . . ?
N5 C42 C49 118.2(5) . . ?
C43 C42 C49 120.6(6) . . ?
Mo7 O43 Mo8 139.4(3) . . ?
N6 C43 C42 119.0(6) . . ?
N6 C43 C55 117.3(5) . . ?
C42 C43 C55 123.7(6) . . ?
Mo9 O44 Mo12 138.3(3) 2_755 . ?
N6 C44 C41 120.2(5) . . ?
N6 C44 C45 120.9(5) . . ?
C45 C44 C41 118.9(6) . . ?
Mo12 O45 Mo7 138.8(3) . 2_755 ?
C46 C45 C44 120.3(6) . . ?
C45 C46 C47 120.4(7) . . ?
C48 C47 C46 120.5(7) . . ?
C47 C48 C41 120.1(6) . . ?
C50 C49 C42 120.9(6) . . ?
C50 C49 C54 120.4(7) . . ?
C54 C49 C42 118.7(6) . . ?
C49 C50 C51 118.7(8) . . ?
C52 C51 C50 120.6(8) . . ?
C53 C52 C51 120.4(8) . . ?
C52 C53 C54 120.6(8) . . ?
C49 C54 C53 119.2(7) . . ?
C56 C55 C43 121.6(6) . . ?
C60 C55 C43 120.4(6) . . ?
C60 C55 C56 118.0(7) . . ?
C57 C56 C55 119.9(8) . . ?
C58 C57 C56 120.9(8) . . ?
C57 C58 C59 119.1(10) . . ?
C58 C59 C60 121.1(9) . . ?
C59 C60 C55 120.9(7) . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'





