# Supplementary Information (SI) for Journal of Materials Chemistry A.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2
_database_code_depnum_ccdc_archive 'CCDC 2219731'
loop_
_audit_author_name
_audit_author_address
'Liping Cui'
;Harbin Normal University
China
;
_audit_update_record             
;
2022-11-15 deposited with the CCDC.	2026-03-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20 H16 As3 Mo8 N4 O40 V4'
_chemical_formula_weight         2148.41

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As 0.0499 2.0058 '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'
V V 0.3005 0.5294 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_H-M_alt        'C c'
_space_group_name_Hall           'C -2yc'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'

_cell_length_a                   15.366(11)
_cell_length_b                   21.297(17)
_cell_length_c                   21.649(16)
_cell_angle_alpha                90
_cell_angle_beta                 97.317(13)
_cell_angle_gamma                90
_cell_volume                     7027(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    11853
_cell_measurement_theta_min      1.643
_cell_measurement_theta_max      24.996

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    2.031
_exptl_crystal_F_000             4044
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.167
_exptl_crystal_size_mid          0.153
_exptl_crystal_size_min          0.143
_exptl_absorpt_coefficient_mu    3.363
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.576
_exptl_absorpt_correction_T_max  0.618
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker Smart APEX CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            11895
_diffrn_reflns_av_unetI/netI     0.0521
_diffrn_reflns_av_R_equivalents  0.0203
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.643
_diffrn_reflns_theta_max         24.996
_diffrn_reflns_theta_full        24.996
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measured_fraction_theta_full 0.960
_diffrn_reflns_Laue_measured_fraction_max 0.960
_diffrn_reflns_Laue_measured_fraction_full 0.960
_diffrn_reflns_point_group_measured_fraction_max 0.954
_diffrn_reflns_point_group_measured_fraction_full 0.954
_reflns_number_total             11853
_reflns_number_gt                9244
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.287
_reflns_Friedel_fraction_max     0.247
_reflns_Friedel_fraction_full    0.247

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_reduction        SAINT
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
; 
 Flack x determined using 763 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). 
;
_refine_ls_abs_structure_Flack   0.46(3)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         11853
_refine_ls_number_parameters     664
_refine_ls_number_restraints     1506
_refine_ls_R_factor_all          0.0959
_refine_ls_R_factor_gt           0.0863
_refine_ls_wR_factor_ref         0.2013
_refine_ls_wR_factor_gt          0.1993
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_restrained_S_all      1.048
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
As1 As 0.6262(3) 0.05491(12) 0.2277(3) 0.0193(6) Uani 1 1 d . . . . .
Mo3 Mo 0.6445(2) -0.07006(19) 0.34142(15) 0.0271(9) Uani 1 1 d . . . . .
Mo5 Mo 0.7981(2) 0.0627(2) 0.13054(19) 0.0318(10) Uani 1 1 d . . . . .
Mo8 Mo 0.6115(2) -0.07002(19) 0.11619(16) 0.0272(10) Uani 1 1 d . . . . .
Mo4 Mo 0.8080(2) 0.0473(2) 0.35324(19) 0.0328(10) Uani 1 1 d . . . . .
Mo6 Mo 0.6342(2) 0.1803(2) 0.11810(19) 0.0372(11) Uani 1 1 d . . . . .
Mo2 Mo 0.4574(2) 0.06225(18) 0.32669(18) 0.0298(9) Uani 1 1 d . . . . .
Mo1 Mo 0.6218(2) 0.1798(2) 0.3401(2) 0.0372(12) Uani 1 1 d . . . . .
Mo7 Mo 0.4482(2) 0.0473(2) 0.10435(19) 0.0335(11) Uani 1 1 d . . . . .
V1 V 0.7943(5) -0.0651(4) 0.2459(4) 0.0307(19) Uani 1 1 d . . . . .
As3 As 0.6206(3) 0.0548(3) 0.0377(2) 0.0432(14) Uani 1 1 d . . . . .
V3 V 0.7945(5) 0.1755(4) 0.2363(4) 0.038(2) Uani 1 1 d . . . . .
V2 V 0.4614(5) 0.1732(4) 0.2184(4) 0.036(2) Uani 1 1 d . . . . .
As2 As 0.6351(3) 0.0554(2) 0.4180(2) 0.0383(12) Uani 1 1 d . . . . .
V4 V 0.4595(4) -0.0645(3) 0.2135(4) 0.0221(16) Uani 1 1 d . . . . .
O8 O 0.5307(15) -0.0142(14) 0.0603(14) 0.036(3) Uani 1 1 d . U . . .
O4 O 0.7236(15) -0.0089(14) 0.3955(14) 0.035(3) Uani 1 1 d . U . . .
O6 O 0.7112(15) 0.1184(13) 0.0713(13) 0.032(3) Uani 1 1 d . U . . .
O1 O 0.5477(15) 0.1194(14) 0.3832(14) 0.036(3) Uani 1 1 d . U . . .
O2 O 0.5666(15) 0.0056(13) 0.3625(14) 0.034(2) Uani 1 1 d . U . . .
O5 O 0.6993(17) 0.0994(14) 0.3731(14) 0.034(3) Uani 1 1 d . U . . .
O7 O 0.5537(17) 0.1044(14) 0.0857(14) 0.035(2) Uani 1 1 d . U . . .
O9 O 0.6876(15) 0.0094(13) 0.0950(14) 0.032(2) Uani 1 1 d . U . . .
O3 O 0.6191(17) -0.1265(13) 0.3956(14) 0.046(5) Uani 1 1 d . U . . .
O12 O 0.8541(15) -0.0189(12) 0.3172(13) 0.033(3) Uani 1 1 d . U . . .
O11 O 0.8686(16) -0.1185(12) 0.2365(14) 0.038(5) Uani 1 1 d . U . . .
O10 O 0.8200(15) 0.0027(13) 0.1886(14) 0.031(2) Uani 1 1 d . U . . .
O13 O 0.6966(15) 0.0087(13) 0.2784(14) 0.031(2) Uani 1 1 d . U . . .
O15 O 0.5274(15) 0.2159(13) 0.2896(12) 0.036(3) Uani 1 1 d . U . . .
O14 O 0.8703(15) 0.0428(12) 0.0788(14) 0.031(4) Uani 1 1 d . U . . .
O28 O 0.6948(16) 0.1024(13) 0.1917(14) 0.031(2) Uani 1 1 d . U . . .
O16 O 0.5710(16) 0.0985(13) 0.2690(14) 0.033(2) Uani 1 1 d . U . . .
O17 O 0.4280(15) 0.1036(12) 0.1561(13) 0.035(3) Uani 1 1 d . U . . .
O24 O 0.5224(16) -0.1066(14) 0.1477(14) 0.035(3) Uani 1 1 d . U . . .
O26 O 0.7010(16) -0.0819(12) 0.1811(13) 0.032(2) Uani 1 1 d . U . . .
O25 O 0.5581(16) -0.0886(12) 0.2780(14) 0.035(3) Uani 1 1 d . U . . .
O18 O 0.6184(17) 0.2331(13) 0.0649(13) 0.047(5) Uani 1 1 d . U . . .
O19 O 0.3876(16) 0.2177(14) 0.1957(14) 0.048(5) Uani 1 1 d . U . . .
O20 O 0.8641(14) 0.2320(11) 0.2494(13) 0.041(5) Uani 1 1 d . U . . .
O21 O 0.7069(15) 0.1913(11) 0.2977(12) 0.035(2) Uani 1 1 d . U . . .
O22 O 0.6557(15) 0.2279(12) 0.4059(13) 0.040(5) Uani 1 1 d . U . . .
O27 O 0.3731(16) 0.0592(12) 0.0416(14) 0.042(5) Uani 1 1 d . U . . .
O23 O 0.8735(17) 0.0746(13) 0.4213(14) 0.046(5) Uani 1 1 d . U . . .
O29 O 0.4044(16) 0.1297(14) 0.2846(14) 0.038(3) Uani 1 1 d . U . . .
O30 O 0.8505(15) 0.1266(13) 0.1730(14) 0.034(3) Uani 1 1 d . U . . .
O40 O 0.8211(15) 0.1121(12) 0.2959(13) 0.034(2) Uani 1 1 d . U . . .
O38 O 0.7328(16) -0.1093(14) 0.3090(14) 0.033(3) Uani 1 1 d . U . . .
O36 O 0.6302(16) -0.1176(12) 0.0573(13) 0.034(5) Uani 1 1 d . U . . .
O33 O 0.5606(16) 0.0090(13) 0.1825(14) 0.032(2) Uani 1 1 d . U . . .
O34 O 0.7255(14) 0.2174(12) 0.1583(13) 0.035(3) Uani 1 1 d . U . . .
O32 O 0.4367(15) 0.0045(14) 0.2705(15) 0.035(3) Uani 1 1 d . U . . .
O39 O 0.3989(15) -0.0152(13) 0.1377(14) 0.037(3) Uani 1 1 d . U . . .
C3 C 0.0539(17) -0.0015(14) 0.2483(14) 0.061(4) Uani 1 1 d G U . . .
H3 H 0.0036 -0.0231 0.2556 0.074 Uiso 1 1 calc R U . . .
C5 C 0.052(2) 0.0635(13) 0.2428(19) 0.061(4) Uani 1 1 d G U . . .
H5 H 0.0007 0.0854 0.2464 0.073 Uiso 1 1 calc R U . . .
C4 C 0.127(3) 0.0958(8) 0.232(2) 0.061(4) Uani 1 1 d G U . . .
C2 C 0.204(2) 0.0630(13) 0.2265(19) 0.062(4) Uani 1 1 d G U . . .
H2 H 0.2546 0.0846 0.2192 0.074 Uiso 1 1 calc R U . . .
C1 C 0.2060(17) -0.0020(13) 0.2320(14) 0.061(4) Uani 1 1 d G U . . .
H1 H 0.2575 -0.0239 0.2284 0.073 Uiso 1 1 calc R U . . .
N1 N 0.1308(19) -0.0343(8) 0.2430(13) 0.055(8) Uani 1 1 d G U . . .
O37 O 0.5566(15) 0.1957(12) 0.1733(13) 0.037(3) Uani 1 1 d . U . . .
C6 C 0.204(2) 0.1994(14) 0.2215(18) 0.063(4) Uani 1 1 d G U . . .
H6 H 0.2537 0.1775 0.2131 0.075 Uiso 1 1 calc R U . . .
C7 C 0.129(3) 0.1670(8) 0.233(2) 0.062(4) Uani 1 1 d G U . . .
C9 C 0.055(2) 0.1998(13) 0.2450(17) 0.062(4) Uani 1 1 d G U . . .
H9 H 0.0050 0.1781 0.2524 0.075 Uiso 1 1 calc R U . . .
C8 C 0.0562(17) 0.2651(13) 0.2464(14) 0.062(4) Uani 1 1 d G U . . .
H8 H 0.0067 0.2870 0.2548 0.075 Uiso 1 1 calc R U . . .
N2 N 0.131(2) 0.2975(8) 0.2354(15) 0.041(8) Uani 1 1 d G U . . .
C10 C 0.2052(17) 0.2647(14) 0.2229(15) 0.063(4) Uani 1 1 d G U . . .
H10 H 0.2553 0.2864 0.2155 0.076 Uiso 1 1 calc R U . . .
O31 O 0.3985(17) 0.0504(14) 0.3846(16) 0.045(5) Uani 1 1 d . U . . .
C12 C 0.375(2) 0.2766(13) 0.3683(14) 0.066(4) Uani 1 1 d G U . . .
H12 H 0.3775 0.2417 0.3428 0.079 Uiso 1 1 calc R U . . .
C11 C 0.4325(17) 0.3264(15) 0.3647(13) 0.066(4) Uani 1 1 d G U . . .
H11 H 0.4738 0.3248 0.3368 0.079 Uiso 1 1 calc R U . . .
N3 N 0.4285(18) 0.3786(13) 0.4027(15) 0.070(5) Uani 1 1 d G U . . .
C13 C 0.367(2) 0.3811(13) 0.4444(14) 0.067(4) Uani 1 1 d G U . . .
H13 H 0.3642 0.4160 0.4699 0.080 Uiso 1 1 calc R U . . .
C14 C 0.3092(17) 0.3313(15) 0.4480(14) 0.065(4) Uani 1 1 d G U . . .
H14 H 0.2679 0.3329 0.4759 0.078 Uiso 1 1 calc R U . . .
C15 C 0.3132(18) 0.2791(13) 0.4100(16) 0.065(4) Uani 1 1 d G U . . .
O35 O 0.3894(18) -0.1139(15) 0.2251(15) 0.041(5) Uani 1 1 d . U . . .
C16 C 0.2573(19) 0.2318(13) 0.4021(16) 0.066(4) Uani 1 1 d G U . . .
C18 C 0.2726(18) 0.1726(15) 0.3787(16) 0.065(3) Uani 1 1 d G U . . .
H18 H 0.3209 0.1659 0.3576 0.078 Uiso 1 1 calc R U . . .
C17 C 0.216(2) 0.1234(12) 0.3869(16) 0.065(3) Uani 1 1 d G U . . .
H17 H 0.2261 0.0837 0.3713 0.078 Uiso 1 1 calc R U . . .
N4 N 0.1437(17) 0.1333(13) 0.4184(15) 0.071(5) Uani 1 1 d G U . . .
C20 C 0.1284(16) 0.1926(15) 0.4418(15) 0.069(4) Uani 1 1 d G U . . .
H20 H 0.0801 0.1992 0.4629 0.082 Uiso 1 1 calc R U . . .
C19 C 0.185(2) 0.2418(12) 0.4336(16) 0.067(4) Uani 1 1 d G U . . .
H19 H 0.1749 0.2814 0.4492 0.081 Uiso 1 1 calc R U . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

# SQUEEZE RESULTS (APPEND TO CIF) 
# Note: Data are Listed for all Voids in the P1 Unit Cell 
# i.e. Centre of Gravity, Solvent Accessible Volume, 
# Recovered number of Electrons in the Void and 
# Details about the Squeezed Material 
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.039 -0.017 -0.008 2618 1385 ' '
_platon_squeeze_details          ?

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
As1 O33 1.64(3) . ?
As1 O28 1.72(3) . ?
As1 O16 1.60(3) . ?
As1 O13 1.74(3) . ?
Mo3 O3 1.76(3) . ?
Mo3 O25 1.83(3) . ?
Mo3 O38 1.81(3) . ?
Mo3 O2 2.09(3) . ?
Mo3 O4 2.04(3) . ?
Mo3 O13 2.37(3) . ?
Mo5 O10 1.79(3) . ?
Mo5 O14 1.73(3) . ?
Mo5 O30 1.78(3) . ?
Mo5 O6 2.10(3) . ?
Mo5 O9 2.11(3) . ?
Mo5 O28 2.35(3) . ?
Mo8 O36 1.68(3) . ?
Mo8 O24 1.78(3) . ?
Mo8 O26 1.85(3) . ?
Mo8 O8 2.01(3) . ?
Mo8 O9 2.14(3) . ?
Mo4 O23 1.77(3) . ?
Mo4 O40 1.88(3) . ?
Mo4 O12 1.80(3) . ?
Mo4 O4 2.06(3) . ?
Mo4 O5 2.10(3) . ?
Mo4 O13 2.35(3) . ?
Mo6 O18 1.61(3) . ?
Mo6 O34 1.74(2) . ?
Mo6 O37 1.82(3) . ?
Mo6 O7 2.10(3) . ?
Mo6 O6 2.11(3) . ?
Mo6 O28 2.40(3) . ?
Mo2 O31 1.66(3) . ?
Mo2 O32 1.73(3) . ?
Mo2 O29 1.84(3) . ?
Mo2 O2 2.13(3) . ?
Mo2 O1 2.11(3) . ?
Mo2 O16 2.40(3) . ?
Mo1 O21 1.71(2) . ?
Mo1 O22 1.78(3) . ?
Mo1 O1 2.02(3) . ?
Mo1 O15 1.87(2) . ?
Mo1 O5 2.15(3) . ?
Mo1 O16 2.38(3) . ?
Mo7 O17 1.70(3) . ?
Mo7 O27 1.69(3) . ?
Mo7 O39 1.73(3) . ?
Mo7 O7 2.11(3) . ?
Mo7 O8 2.13(3) . ?
Mo7 O33 2.40(3) . ?
V1 O11 1.64(3) . ?
V1 O12 1.96(3) . ?
V1 O26 1.91(3) . ?
V1 O38 1.99(3) . ?
V1 O10 1.98(3) . ?
V1 O13 2.34(3) . ?
As3 O9 1.79(3) . ?
As3 O7 1.88(3) . ?
As3 O6 2.01(3) . ?
As3 O8 2.12(3) . ?
V3 O20 1.61(2) . ?
V3 O40 1.88(3) . ?
V3 O30 2.00(3) . ?
V3 O21 2.04(3) . ?
V3 O34 2.08(3) . ?
V3 O28 2.31(3) . ?
V2 O19 1.51(3) . ?
V2 O15 1.96(3) . ?
V2 O29 2.00(3) . ?
V2 O37 1.92(3) . ?
V2 O17 2.03(3) . ?
As2 O5 1.74(3) . ?
As2 O2 1.83(3) . ?
As2 O1 1.99(3) . ?
As2 O4 2.03(3) . ?
V4 O35 1.55(3) . ?
V4 O32 1.98(3) . ?
V4 O24 2.03(3) . ?
V4 O25 1.99(3) . ?
V4 O39 2.07(3) . ?
V4 O33 2.36(3) . ?
C3 C5 1.3900 . ?
C3 N1 1.3900 . ?
C5 C4 1.3900 . ?
C4 C2 1.3900 . ?
C4 C7 1.52(2) . ?
C2 C1 1.3900 . ?
C1 N1 1.3900 . ?
C6 C7 1.3900 . ?
C6 C10 1.3900 . ?
C7 C9 1.3900 . ?
C9 C8 1.3900 . ?
C8 N2 1.3900 . ?
N2 C10 1.3900 . ?
C12 C11 1.3900 . ?
C12 C15 1.3900 . ?
C11 N3 1.3900 . ?
N3 C13 1.3900 . ?
C13 C14 1.3900 . ?
C14 C15 1.3900 . ?
C15 C16 1.32(3) . ?
C16 C18 1.3900 . ?
C16 C19 1.3900 . ?
C18 C17 1.3900 . ?
C17 N4 1.3900 . ?
N4 C20 1.3900 . ?
C20 C19 1.3900 . ?

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
O33 As1 O28 116.7(15) . . ?
O33 As1 O16 110.4(14) . . ?
O28 As1 O16 108.1(9) . . ?
O33 As1 O13 108.9(9) . . ?
O28 As1 O13 104.5(13) . . ?
O16 As1 O13 107.8(14) . . ?
O3 Mo3 O25 98.7(13) . . ?
O3 Mo3 O38 100.6(13) . . ?
O25 Mo3 O38 96.8(13) . . ?
O3 Mo3 O2 101.5(12) . . ?
O25 Mo3 O2 87.1(12) . . ?
O38 Mo3 O2 156.6(12) . . ?
O3 Mo3 O4 102.7(12) . . ?
O25 Mo3 O4 152.8(11) . . ?
O38 Mo3 O4 95.5(12) . . ?
O2 Mo3 O4 72.5(10) . . ?
O3 Mo3 O13 172.0(11) . . ?
O25 Mo3 O13 89.2(10) . . ?
O38 Mo3 O13 77.1(11) . . ?
O2 Mo3 O13 79.9(10) . . ?
O4 Mo3 O13 70.1(10) . . ?
O10 Mo5 O14 101.6(12) . . ?
O10 Mo5 O30 98.7(13) . . ?
O14 Mo5 O30 103.7(12) . . ?
O10 Mo5 O6 151.5(10) . . ?
O14 Mo5 O6 98.9(12) . . ?
O30 Mo5 O6 95.4(12) . . ?
O10 Mo5 O9 86.7(11) . . ?
O14 Mo5 O9 100.7(12) . . ?
O30 Mo5 O9 153.3(11) . . ?
O6 Mo5 O9 70.1(10) . . ?
O10 Mo5 O28 86.6(11) . . ?
O14 Mo5 O28 171.8(11) . . ?
O30 Mo5 O28 74.2(11) . . ?
O6 Mo5 O28 73.6(10) . . ?
O9 Mo5 O28 80.1(10) . . ?
O36 Mo8 O24 103.9(14) . . ?
O36 Mo8 O26 108.0(12) . . ?
O24 Mo8 O26 100.5(12) . . ?
O36 Mo8 O8 93.0(12) . . ?
O24 Mo8 O8 92.5(12) . . ?
O26 Mo8 O8 151.5(11) . . ?
O36 Mo8 O9 99.4(12) . . ?
O24 Mo8 O9 153.4(13) . . ?
O26 Mo8 O9 84.1(11) . . ?
O8 Mo8 O9 73.5(10) . . ?
O23 Mo4 O40 102.1(12) . . ?
O23 Mo4 O12 113.9(12) . . ?
O40 Mo4 O12 101.9(12) . . ?
O23 Mo4 O4 98.3(12) . . ?
O40 Mo4 O4 147.5(10) . . ?
O12 Mo4 O4 92.5(12) . . ?
O23 Mo4 O5 92.2(12) . . ?
O40 Mo4 O5 84.4(11) . . ?
O12 Mo4 O5 150.7(11) . . ?
O4 Mo4 O5 69.8(11) . . ?
O23 Mo4 O13 166.9(11) . . ?
O40 Mo4 O13 86.1(11) . . ?
O12 Mo4 O13 73.7(10) . . ?
O4 Mo4 O13 70.1(10) . . ?
O5 Mo4 O13 78.3(11) . . ?
O18 Mo6 O34 94.6(13) . . ?
O18 Mo6 O37 107.0(13) . . ?
O34 Mo6 O37 98.2(12) . . ?
O18 Mo6 O7 105.7(13) . . ?
O34 Mo6 O7 156.6(12) . . ?
O37 Mo6 O7 87.2(12) . . ?
O18 Mo6 O6 97.8(13) . . ?
O34 Mo6 O6 93.3(11) . . ?
O37 Mo6 O6 151.6(11) . . ?
O7 Mo6 O6 72.7(10) . . ?
O18 Mo6 O28 165.7(11) . . ?
O34 Mo6 O28 76.2(10) . . ?
O37 Mo6 O28 85.4(11) . . ?
O7 Mo6 O28 81.5(10) . . ?
O6 Mo6 O28 72.2(10) . . ?
O31 Mo2 O32 110.8(14) . . ?
O31 Mo2 O29 104.1(14) . . ?
O32 Mo2 O29 100.2(14) . . ?
O31 Mo2 O2 96.9(13) . . ?
O32 Mo2 O2 85.4(12) . . ?
O29 Mo2 O2 154.5(11) . . ?
O31 Mo2 O1 91.8(13) . . ?
O32 Mo2 O1 149.8(11) . . ?
O29 Mo2 O1 93.1(12) . . ?
O2 Mo2 O1 71.8(11) . . ?
O31 Mo2 O16 161.2(12) . . ?
O32 Mo2 O16 86.7(12) . . ?
O29 Mo2 O16 78.2(11) . . ?
O2 Mo2 O16 77.3(10) . . ?
O1 Mo2 O16 69.4(10) . . ?
O21 Mo1 O22 100.4(12) . . ?
O21 Mo1 O1 148.6(12) . . ?
O22 Mo1 O1 97.0(12) . . ?
O21 Mo1 O15 102.5(11) . . ?
O22 Mo1 O15 111.0(12) . . ?
O1 Mo1 O15 95.3(11) . . ?
O21 Mo1 O5 82.2(11) . . ?
O22 Mo1 O5 95.7(12) . . ?
O1 Mo1 O5 70.2(10) . . ?
O15 Mo1 O5 151.3(12) . . ?
O21 Mo1 O16 88.1(11) . . ?
O22 Mo1 O16 167.3(11) . . ?
O1 Mo1 O16 71.3(11) . . ?
O15 Mo1 O16 75.8(11) . . ?
O5 Mo1 O16 76.1(11) . . ?
O17 Mo7 O27 105.1(13) . . ?
O17 Mo7 O39 98.1(13) . . ?
O27 Mo7 O39 99.3(11) . . ?
O17 Mo7 O7 85.9(11) . . ?
O27 Mo7 O7 102.9(11) . . ?
O39 Mo7 O7 155.7(11) . . ?
O17 Mo7 O8 154.1(11) . . ?
O27 Mo7 O8 96.8(13) . . ?
O39 Mo7 O8 91.8(12) . . ?
O7 Mo7 O8 75.7(11) . . ?
O17 Mo7 O33 87.2(11) . . ?
O27 Mo7 O33 167.5(12) . . ?
O39 Mo7 O33 76.0(10) . . ?
O7 Mo7 O33 80.2(10) . . ?
O8 Mo7 O33 72.0(10) . . ?
O11 V1 O12 100.5(13) . . ?
O11 V1 O26 104.4(13) . . ?
O12 V1 O26 155.1(11) . . ?
O11 V1 O38 99.0(13) . . ?
O12 V1 O38 85.0(12) . . ?
O26 V1 O38 92.2(11) . . ?
O11 V1 O10 103.4(13) . . ?
O12 V1 O10 90.9(12) . . ?
O26 V1 O10 82.3(11) . . ?
O38 V1 O10 157.7(12) . . ?
O11 V1 O13 169.8(13) . . ?
O12 V1 O13 71.4(10) . . ?
O26 V1 O13 84.0(11) . . ?
O38 V1 O13 74.5(11) . . ?
O10 V1 O13 83.4(11) . . ?
O9 As3 O7 103.1(13) . . ?
O9 As3 O6 78.6(12) . . ?
O7 As3 O6 79.9(11) . . ?
O9 As3 O8 78.4(11) . . ?
O7 As3 O8 81.0(12) . . ?
O6 As3 O8 145.7(12) . . ?
O20 V3 O40 109.6(13) . . ?
O20 V3 O30 100.1(12) . . ?
O40 V3 O30 91.2(12) . . ?
O20 V3 O21 104.0(13) . . ?
O40 V3 O21 76.9(11) . . ?
O30 V3 O21 155.6(11) . . ?
O20 V3 O34 94.7(12) . . ?
O40 V3 O34 155.8(12) . . ?
O30 V3 O34 83.5(11) . . ?
O21 V3 O34 98.6(10) . . ?
O20 V3 O28 165.5(13) . . ?
O40 V3 O28 82.9(11) . . ?
O30 V3 O28 71.5(10) . . ?
O21 V3 O28 85.7(11) . . ?
O34 V3 O28 72.9(10) . . ?
O19 V2 O15 104.8(15) . . ?
O19 V2 O29 98.2(13) . . ?
O15 V2 O29 83.2(12) . . ?
O19 V2 O37 105.5(14) . . ?
O15 V2 O37 86.1(11) . . ?
O29 V2 O37 155.8(12) . . ?
O19 V2 O17 97.2(14) . . ?
O15 V2 O17 157.9(12) . . ?
O29 V2 O17 92.4(12) . . ?
O37 V2 O17 89.4(11) . . ?
O5 As2 O2 105.2(14) . . ?
O5 As2 O1 79.8(11) . . ?
O2 As2 O1 81.0(12) . . ?
O5 As2 O4 77.6(13) . . ?
O2 As2 O4 78.3(11) . . ?
O1 As2 O4 144.0(13) . . ?
O35 V4 O32 102.8(16) . . ?
O35 V4 O24 102.5(15) . . ?
O32 V4 O24 154.7(12) . . ?
O35 V4 O25 101.2(14) . . ?
O32 V4 O25 86.2(12) . . ?
O24 V4 O25 89.5(11) . . ?
O35 V4 O39 102.8(13) . . ?
O32 V4 O39 91.1(12) . . ?
O24 V4 O39 82.7(11) . . ?
O25 V4 O39 155.9(11) . . ?
O35 V4 O33 172.8(15) . . ?
O32 V4 O33 82.0(11) . . ?
O24 V4 O33 72.8(11) . . ?
O25 V4 O33 84.3(10) . . ?
O39 V4 O33 71.6(10) . . ?
Mo8 O8 As3 100.3(10) . . ?
Mo8 O8 Mo7 116.8(14) . . ?
As3 O8 Mo7 96.9(12) . . ?
Mo4 O4 As2 101.1(13) . . ?
Mo4 O4 Mo3 118.5(15) . . ?
As2 O4 Mo3 101.5(10) . . ?
Mo5 O6 As3 101.4(12) . . ?
Mo5 O6 Mo6 114.3(13) . . ?
As3 O6 Mo6 100.9(10) . . ?
As2 O1 Mo1 102.6(11) . . ?
As2 O1 Mo2 100.8(13) . . ?
Mo1 O1 Mo2 117.8(14) . . ?
As2 O2 Mo3 107.0(12) . . ?
As2 O2 Mo2 105.7(14) . . ?
Mo3 O2 Mo2 143.4(16) . . ?
As2 O5 Mo4 110.6(15) . . ?
As2 O5 Mo1 106.5(13) . . ?
Mo4 O5 Mo1 140.8(14) . . ?
As3 O7 Mo7 105.7(14) . . ?
As3 O7 Mo6 106.0(12) . . ?
Mo7 O7 Mo6 144.6(16) . . ?
As3 O9 Mo5 109.1(13) . . ?
As3 O9 Mo8 107.1(12) . . ?
Mo5 O9 Mo8 141.8(14) . . ?
V1 O12 Mo4 124.4(13) . . ?
Mo5 O10 V1 157.8(14) . . ?
As1 O13 Mo3 122.4(12) . . ?
As1 O13 Mo4 125.1(14) . . ?
Mo3 O13 Mo4 96.9(10) . . ?
As1 O13 V1 124.1(15) . . ?
Mo3 O13 V1 88.6(10) . . ?
Mo4 O13 V1 90.2(8) . . ?
V2 O15 Mo1 123.7(15) . . ?
As1 O28 V3 128.4(16) . . ?
As1 O28 Mo6 119.9(12) . . ?
V3 O28 Mo6 89.6(10) . . ?
As1 O28 Mo5 122.7(14) . . ?
V3 O28 Mo5 91.1(9) . . ?
Mo6 O28 Mo5 96.2(11) . . ?
As1 O16 Mo1 128.9(13) . . ?
As1 O16 Mo2 125.1(15) . . ?
Mo1 O16 Mo2 95.6(11) . . ?
Mo7 O17 V2 154.8(14) . . ?
Mo8 O24 V4 122.2(16) . . ?
V1 O26 Mo8 161.3(15) . . ?
Mo3 O25 V4 152.4(16) . . ?
Mo1 O21 V3 160.4(16) . . ?
V2 O29 Mo2 120.7(14) . . ?
Mo9 O30 V3 123.1(13) . . ?
Mo4 O40 V3 161.4(14) . . ?
Mo3 O38 V1 119.5(15) . . ?
As1 O33 V4 127.2(16) . . ?
As1 O33 Mo7 123.4(15) . . ?
V4 O33 Mo7 89.2(8) . . ?
Mo6 O34 V3 120.5(14) . . ?
Mo2 O32 V4 159.2(15) . . ?
Mo7 O39 V4 123.0(13) . . ?
C5 C3 N1 120.0 . . ?
C4 C5 C3 120.0 . . ?
C2 C4 C5 120.0 . . ?
C2 C4 C7 119(3) . . ?
C5 C4 C7 121(3) . . ?
C4 C2 C1 120.0 . . ?
N1 C1 C2 120.0 . . ?
C1 N1 C3 120.0 . . ?
Mo6 O37 V2 153.2(16) . . ?
C7 C6 C10 120.0 . . ?
C6 C7 C9 120.0 . . ?
C6 C7 C4 121(3) . . ?
C9 C7 C4 119(3) . . ?
C8 C9 C7 120.0 . . ?
C9 C8 N2 120.0 . . ?
C10 N2 C8 120.0 . . ?
N2 C10 C6 120.0 . . ?
C11 C12 C15 120.0 . . ?
N3 C11 C12 120.0 . . ?
C11 N3 C13 120.0 . . ?
N3 C13 C14 120.0 . . ?
C13 C14 C15 120.0 . . ?
C16 C15 C14 128(3) . . ?
C16 C15 C12 112(3) . . ?
C14 C15 C12 120.0 . . ?
C15 C16 C18 127(2) . . ?
C15 C16 C19 111(3) . . ?
C18 C16 C19 120.0 . . ?
C16 C18 C17 120.0 . . ?
N4 C17 C18 120.0 . . ?
C17 N4 C20 120.0 . . ?
C19 C20 N4 120.0 . . ?
C20 C19 C16 120.0 . . ?

_refine_diff_density_max         2.111
_refine_diff_density_min         -2.136
_refine_diff_density_rms         0.603



####################################################################### 
# 
# 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_3
_database_code_depnum_ccdc_archive 'CCDC 2219732'
loop_
_audit_author_name
_audit_author_address
'Liping Cui'
;Harbin Normal University
China
;
_audit_update_record             
;
2022-11-15 deposited with the CCDC.	2026-03-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C45 H38 Ag2 As2 Mo8 N9 O42 V5'
_chemical_formula_weight         2764.65

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 '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'
V V 0.3005 0.5294 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   21.538(3)
_cell_length_b                   13.5842(15)
_cell_length_c                   25.303(3)
_cell_angle_alpha                90
_cell_angle_beta                 99.858(4)
_cell_angle_gamma                90
_cell_volume                     7293.6(15)
_cell_formula_units_Z            4
_cell_measurement_temperature    295(2)
_cell_measurement_reflns_used    14425
_cell_measurement_theta_min      2.218
_cell_measurement_theta_max      26.081

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    2.518
_exptl_crystal_F_000             5316
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.176
_exptl_crystal_size_mid          0.164
_exptl_crystal_size_min          0.158
_exptl_absorpt_coefficient_mu    3.457
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.550
_exptl_absorpt_correction_T_max  0.579
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      295(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker Smart APEX CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            98423
_diffrn_reflns_av_unetI/netI     0.0444
_diffrn_reflns_av_R_equivalents  0.0740
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         2.218
_diffrn_reflns_theta_max         26.081
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             14425
_reflns_number_gt                10733
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_reduction        SAINT
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+0.0200P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         14425
_refine_ls_number_parameters     1036
_refine_ls_number_restraints     955
_refine_ls_R_factor_all          0.0908
_refine_ls_R_factor_gt           0.0583
_refine_ls_wR_factor_ref         0.1236
_refine_ls_wR_factor_gt          0.1155
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_restrained_S_all      1.057
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
As1 As 0.74221(4) 1.02027(6) 0.28635(3) 0.01373(19) Uani 1 1 d . . . . .
Mo2 Mo 0.61914(4) 1.07711(5) 0.17707(3) 0.02108(19) Uani 1 1 d . . . . .
Mo3 Mo 0.86869(4) 0.95330(5) 0.38984(3) 0.0230(2) Uani 1 1 d . . . . .
Mo4 Mo 0.72133(4) 1.27958(5) 0.26419(3) 0.0230(2) Uani 1 1 d . . . . .
Mo5 Mo 0.76030(4) 0.95800(5) 0.15159(3) 0.02222(19) Uani 1 1 d . . . . .
Mo6 Mo 0.86308(4) 1.16147(5) 0.23988(3) 0.0247(2) Uani 1 1 d . . . . .
Mo7 Mo 0.77382(4) 0.76427(5) 0.30851(3) 0.02132(19) Uani 1 1 d . . . . .
Mo8 Mo 0.71337(4) 1.07922(5) 0.41751(3) 0.0232(2) Uani 1 1 d . . . . .
Mo1 Mo 0.62005(4) 0.89170(5) 0.33728(3) 0.02239(19) Uani 1 1 d . . . . .
V1 V 0.88574(7) 0.89718(10) 0.26383(6) 0.0207(4) Uani 1 1 d . . . . .
V2 V 0.64708(7) 0.83881(10) 0.20189(6) 0.0192(3) Uani 1 1 d . . . . .
As2 As 0.74021(5) 1.18712(8) 0.15340(4) 0.0392(3) Uani 1 1 d . . . . .
V4 V 0.60140(7) 1.13518(10) 0.31452(6) 0.0212(4) Uani 1 1 d . . . . .
V3 V 0.83612(7) 1.21301(10) 0.36389(6) 0.0213(4) Uani 1 1 d . . . . .
V5 V 0.74463(6) 0.85341(9) 0.41848(5) 0.0127(3) Uani 1 1 d . U . . .
O1 O 0.6911(3) 1.0646(4) 0.1318(2) 0.0265(12) Uani 1 1 d . U . . .
O2 O 0.7897(3) 1.2589(4) 0.2167(2) 0.0288(13) Uani 1 1 d . U . . .
O3 O 0.8915(3) 1.0406(4) 0.2559(2) 0.0316(13) Uani 1 1 d . U . . .
O4 O 0.8222(3) 0.9045(4) 0.1965(2) 0.0300(13) Uani 1 1 d . U . . .
O5 O 0.7016(3) 0.8620(4) 0.1479(2) 0.0274(13) Uani 1 1 d . U . . .
O6 O 0.6142(3) 0.8639(4) 0.2672(2) 0.0279(12) Uani 1 1 d . U . . .
O7 O 0.7855(3) 0.9763(4) 0.4192(2) 0.0288(12) Uani 1 1 d . U . . .
O8 O 0.8456(3) 0.7739(4) 0.2819(2) 0.0296(13) Uani 1 1 d . U . . .
O9 O 0.7674(3) 1.1677(4) 0.3992(2) 0.0306(13) Uani 1 1 d . U . . .
O10 O 0.8843(3) 1.2229(4) 0.3040(2) 0.0310(14) Uani 1 1 d . U . . .
O11 O 0.5966(3) 0.9490(4) 0.1647(2) 0.0292(13) Uani 1 1 d . U . . .
O12 O 0.6706(3) 0.9406(4) 0.4118(2) 0.0307(13) Uani 1 1 d . U . . .
O13 O 0.6619(3) 1.2336(4) 0.2980(2) 0.0281(12) Uani 1 1 d . U . . .
O14 O 0.7835(3) 0.9479(4) 0.0911(2) 0.0332(16) Uani 1 1 d . U . . .
O15 O 0.8210(3) 0.8131(4) 0.3862(2) 0.0314(14) Uani 1 1 d . U . . .
O16 O 0.5932(3) 1.0951(4) 0.2391(2) 0.0289(12) Uani 1 1 d . U . . .
O17 O 0.7797(3) 1.3098(4) 0.3215(2) 0.0304(13) Uani 1 1 d . U . . .
O18 O 0.7175(3) 0.7776(4) 0.2483(2) 0.0276(13) Uani 1 1 d . U . . .
O19 O 0.6079(3) 0.7475(4) 0.1755(2) 0.0337(16) Uani 1 1 d . U . . .
O20 O 0.8713(3) 1.0836(4) 0.3811(2) 0.0305(13) Uani 1 1 d . U . . .
O21 O 0.5680(3) 1.1393(4) 0.1310(2) 0.0371(17) Uani 1 1 d . U . . .
O22 O 0.7777(3) 1.1306(4) 0.2873(2) 0.0265(12) Uani 1 1 d . U . . .
O23 O 0.9151(3) 0.9106(4) 0.3422(2) 0.0309(13) Uani 1 1 d . U . . .
O24 O 0.9472(3) 0.8568(4) 0.2437(3) 0.0363(16) Uani 1 1 d . U . . .
O25 O 0.6809(3) 1.1947(4) 0.1990(2) 0.0292(12) Uani 1 1 d . U . . .
O26 O 0.5709(3) 1.0026(4) 0.3314(2) 0.0318(14) Uani 1 1 d . U . . .
O27 O 0.6406(3) 1.1403(4) 0.3904(2) 0.0307(14) Uani 1 1 d . U . . .
O28 O 0.8010(3) 1.0932(4) 0.1776(2) 0.0296(13) Uani 1 1 d . U . . .
O29 O 0.7962(3) 0.9362(4) 0.3086(2) 0.0268(12) Uani 1 1 d . U . . .
O30 O 0.7054(3) 0.9870(4) 0.2249(2) 0.0253(11) Uani 1 1 d . U . . .
O31 O 0.6883(3) 1.0268(4) 0.3271(2) 0.0258(11) Uani 1 1 d . U . . .
O32 O 0.6948(3) 1.3904(4) 0.2407(3) 0.0371(17) Uani 1 1 d . U . . .
O33 O 0.7735(3) 0.6423(4) 0.3250(3) 0.0333(16) Uani 1 1 d . U . . .
O34 O 0.7039(3) 0.8135(4) 0.3497(2) 0.0301(13) Uani 1 1 d . U . . .
O35 O 0.5732(3) 0.8090(4) 0.3613(3) 0.0358(16) Uani 1 1 d . U . . .
O36 O 0.5385(3) 1.1957(4) 0.3156(3) 0.0338(16) Uani 1 1 d . U . . .
O37 O 0.9155(3) 1.2096(4) 0.2045(3) 0.0389(17) Uani 1 1 d . U . . .
O38 O 0.7168(3) 1.0938(4) 0.4843(2) 0.0377(17) Uani 1 1 d . U . . .
O39 O 0.8762(3) 1.2809(4) 0.4076(3) 0.0375(17) Uani 1 1 d . U . . .
O40 O 0.9168(3) 0.9300(4) 0.4485(2) 0.0373(17) Uani 1 1 d . U . . .
N1 N 0.0997(4) 0.1801(6) 0.0686(3) 0.041(2) Uani 1 1 d . . . . .
C1 C 0.0210(4) 0.0389(6) 0.0150(4) 0.033(2) Uani 1 1 d . . . . .
C2 C 0.1099(5) 0.0809(8) 0.0805(5) 0.056(3) Uani 1 1 d . . . . .
H2 H 0.1434 0.0626 0.1070 0.067 Uiso 1 1 calc R U . . .
C3 C 0.0103(5) 0.1380(7) 0.0034(4) 0.045(3) Uani 1 1 d . . . . .
H3 H -0.0232 0.1576 -0.0227 0.054 Uiso 1 1 calc R U . . .
C4 C 0.0492(5) 0.2052(8) 0.0305(5) 0.052(3) Uani 1 1 d . . . . .
H4 H 0.0413 0.2716 0.0231 0.062 Uiso 1 1 calc R U . . .
C5 C 0.7976(5) 0.9448(7) 0.6732(4) 0.033(2) Uani 1 1 d . . . . .
C6 C 0.8539(4) 0.9530(6) 0.7155(4) 0.029(2) Uani 1 1 d . . . . .
C7 C 0.7674(5) 0.8559(7) 0.6584(4) 0.042(3) Uani 1 1 d . . . . .
H7 H 0.7811 0.7991 0.6774 0.050 Uiso 1 1 calc R U . . .
C8 C 0.7752(5) 1.0263(7) 0.6446(4) 0.040(3) Uani 1 1 d . . . . .
H8 H 0.7929 1.0880 0.6532 0.047 Uiso 1 1 calc R U . . .
C9 C 0.8963(5) 0.8755(7) 0.7227(4) 0.040(3) Uani 1 1 d . . . . .
H9 H 0.8888 0.8176 0.7031 0.048 Uiso 1 1 calc R U . . .
N4 N 0.6985(5) 0.9281(7) 0.5879(4) 0.056(3) Uani 1 1 d . . . . .
N5 N 0.9615(4) 0.9714(6) 0.7901(4) 0.051(3) Uani 1 1 d . . . . .
C10 C 0.7249(6) 1.0146(9) 0.6018(5) 0.059(4) Uani 1 1 d . . . . .
H10 H 0.7094 1.0700 0.5822 0.071 Uiso 1 1 calc R U . . .
C11 C 0.9494(5) 0.8877(8) 0.7600(5) 0.048(3) Uani 1 1 d . . . . .
H11 H 0.9788 0.8369 0.7652 0.058 Uiso 1 1 calc R U . . .
C12 C 0.8664(5) 1.0363(7) 0.7463(5) 0.052(3) Uani 1 1 d . . . . .
H12 H 0.8376 1.0879 0.7414 0.062 Uiso 1 1 calc R U . . .
C13 C 0.7185(6) 0.8499(8) 0.6169(4) 0.060(4) Uani 1 1 d . . . . .
H13 H 0.6986 0.7897 0.6087 0.072 Uiso 1 1 calc R U . . .
C14 C 0.9199(6) 1.0458(8) 0.7842(5) 0.065(4) Uani 1 1 d . . . . .
H14 H 0.9272 1.1023 0.8051 0.078 Uiso 1 1 calc R U . . .
C15 C 0.0722(5) 0.0105(7) 0.0545(4) 0.048(3) Uani 1 1 d . . . . .
H15 H 0.0798 -0.0556 0.0626 0.058 Uiso 1 1 calc R U . . .
C16 C 0.9110(5) 0.4918(8) 1.0782(4) 0.038(3) Uani 1 1 d . . . . .
C17 C 0.9186(5) 0.5975(7) 1.0860(4) 0.033(2) Uani 1 1 d . . . . .
C18 C 0.8703(5) 0.6617(8) 1.0674(4) 0.040(3) Uani 1 1 d . . . . .
H18 H 0.8330 0.6384 1.0472 0.048 Uiso 1 1 calc R U . . .
C19 C 0.8700(5) 0.4495(8) 1.0352(4) 0.049(3) Uani 1 1 d . . . . .
H19 H 0.8460 0.4907 1.0103 0.059 Uiso 1 1 calc R U . . .
C20 C 0.8640(6) 0.3489(9) 1.0282(5) 0.063(4) Uani 1 1 d . . . . .
H20 H 0.8374 0.3241 0.9983 0.075 Uiso 1 1 calc R U . . .
C21 C 0.5594(5) 0.3710(8) 0.4700(4) 0.043(3) Uani 1 1 d . . . . .
C22 C 0.5730(5) 0.4764(8) 0.4776(4) 0.040(3) Uani 1 1 d . . . . .
C23 C 0.6268(6) 0.6153(9) 0.5260(5) 0.060(4) Uani 1 1 d . . . . .
H23 H 0.6550 0.6380 0.5554 0.072 Uiso 1 1 calc R U . . .
C24 C 0.6149(6) 0.5164(10) 0.5208(5) 0.060(4) Uani 1 1 d . . . . .
H24 H 0.6355 0.4741 0.5470 0.072 Uiso 1 1 calc R U . . .
C25 C 0.5928(6) 0.3037(10) 0.5029(5) 0.066(4) Uani 1 1 d . . . . .
H25 H 0.6251 0.3226 0.5302 0.079 Uiso 1 1 calc R U . . .
N7 N 0.9294(5) 0.7995(7) 1.1060(4) 0.052(3) Uani 1 1 d . . . . .
C26 C 0.8774(5) 0.7598(8) 1.0790(4) 0.051(3) Uani 1 1 d . . . . .
H26 H 0.8435 0.8013 1.0670 0.061 Uiso 1 1 calc R U . . .
C27 C 0.9440(5) 0.4268(8) 1.1131(4) 0.047(3) Uani 1 1 d . . . . .
H27 H 0.9723 0.4497 1.1424 0.056 Uiso 1 1 calc R U . . .
N6 N 0.8953(4) 0.2878(6) 1.0630(4) 0.052(3) Uani 1 1 d . . . . .
C28 C 0.9728(5) 0.6411(8) 1.1144(4) 0.049(3) Uani 1 1 d . . . . .
H28 H 1.0074 0.6022 1.1278 0.059 Uiso 1 1 calc R U . . .
C29 C 0.9352(5) 0.3248(9) 1.1050(5) 0.053(3) Uani 1 1 d . . . . .
H29 H 0.9579 0.2815 1.1295 0.064 Uiso 1 1 calc R U . . .
C30 C 0.9753(6) 0.7390(8) 1.1226(5) 0.055(3) Uani 1 1 d . . . . .
H30 H 1.0126 0.7651 1.1414 0.067 Uiso 1 1 calc R U . . .
N3 N 0.5996(4) 0.6782(7) 0.4906(4) 0.053(3) Uani 1 1 d . . . . .
C31 C 0.5119(5) 0.3336(9) 0.4304(4) 0.047(3) Uani 1 1 d . . . . .
H31 H 0.4878 0.3775 0.4072 0.057 Uiso 1 1 calc R U . . .
C32 C 0.5430(5) 0.5425(8) 0.4411(4) 0.044(3) Uani 1 1 d . . . . .
H32 H 0.5137 0.5223 0.4117 0.053 Uiso 1 1 calc R U . . .
C33 C 0.5583(5) 0.6408(10) 0.4499(4) 0.055(3) Uani 1 1 d . . . . .
H33 H 0.5378 0.6855 0.4250 0.066 Uiso 1 1 calc R U . . .
N2 N 0.5316(5) 0.1728(8) 0.4562(4) 0.065(3) Uani 1 1 d . . . . .
C34 C 0.5767(7) 0.2049(11) 0.4941(6) 0.087(5) Uani 1 1 d . . . . .
H34 H 0.5994 0.1585 0.5165 0.105 Uiso 1 1 calc R U . . .
C35 C 0.5000(6) 0.2390(9) 0.4248(5) 0.058(3) Uani 1 1 d . . . . .
H35 H 0.4680 0.2183 0.3977 0.069 Uiso 1 1 calc R U . . .
O41 O 0.7463(4) 0.7908(5) 0.4714(3) 0.062(2) Uani 1 1 d . U . . .
Ag1 Ag 0.9326(3) -0.0119(5) 1.1395(3) 0.0321(19) Uani 0.5 1 d . . P . .
Ag2 Ag 0.6148(5) 0.8813(7) 0.4994(4) 0.091(4) Uani 1 1 d . . P . .
Ag3 Ag 0.8721(4) 0.0963(5) 1.0510(3) 0.049(2) Uani 0.5 1 d . . P . .
C36 C 0.6788(4) 0.0208(6) 0.8867(4) 0.027(2) Uani 1 1 d . . . . .
C37 C 0.5850(4) 0.0857(7) 0.8250(4) 0.034(3) Uani 1 1 d . . . . .
H37 H 0.5871 0.1426 0.8456 0.041 Uiso 1 1 calc R U . . .
C38 C 0.6285(4) 0.0092(7) 0.8391(4) 0.030(2) Uani 1 1 d . . . . .
C39 C 0.7050(5) -0.0587(7) 0.9162(4) 0.036(3) Uani 1 1 d . . . . .
H39 H 0.6926 -0.1221 0.9052 0.043 Uiso 1 1 calc R U . . .
C40 C 0.7492(5) -0.0457(8) 0.9616(4) 0.041(3) Uani 1 1 d . . . . .
H40 H 0.7643 -0.1006 0.9817 0.049 Uiso 1 1 calc R U . . .
C41 C 0.5392(5) 0.0753(7) 0.7800(4) 0.044(3) Uani 1 1 d . . . . .
H41 H 0.5114 0.1270 0.7697 0.052 Uiso 1 1 calc R U . . .
C42 C 0.7458(5) 0.1192(7) 0.9479(4) 0.047(3) Uani 1 1 d . . . . .
H42 H 0.7611 0.1815 0.9584 0.057 Uiso 1 1 calc R U . . .
C43 C 0.6216(5) -0.0755(7) 0.8074(4) 0.051(3) Uani 1 1 d . . . . .
H43 H 0.6489 -0.1284 0.8160 0.061 Uiso 1 1 calc R U . . .
C44 C 0.7002(5) 0.1127(7) 0.9039(4) 0.042(3) Uani 1 1 d . . . . .
H44 H 0.6837 0.1690 0.8858 0.050 Uiso 1 1 calc R U . . .
N8 N 0.7708(4) 0.0414(6) 0.9777(3) 0.042(2) Uani 1 1 d . . . . .
N9 N 0.5336(4) -0.0085(6) 0.7507(4) 0.047(2) Uani 1 1 d . . . . .
C45 C 0.5726(6) -0.0807(8) 0.7616(5) 0.067(4) Uani 1 1 d . . . . .
H45 H 0.5688 -0.1361 0.7397 0.081 Uiso 1 1 calc R U . . .
O1W O 0.4992(6) 0.9812(9) 0.4362(6) 0.049(3) Uani 0.5 1 d . U P . .
H1WA H 0.5202 0.9732 0.4109 0.059 Uiso 0.5 1 d R U P . .
H1WB H 0.5053 1.0398 0.4477 0.059 Uiso 0.5 1 d R U P . .
O2W O 0.5852(7) 0.3648(9) 0.1386(6) 0.066(5) Uani 0.5 1 d . . P . .
H2WA H 0.5663 0.3902 0.1622 0.079 Uiso 0.5 1 d R U P . .
H2WB H 0.5882 0.4087 0.1153 0.079 Uiso 0.5 1 d R U P . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
As1 O29 1.658(5) . ?
As1 O22 1.681(5) . ?
As1 O31 1.682(6) . ?
As1 O30 1.682(6) . ?
Mo2 O21 1.686(6) . ?
Mo2 O16 1.772(6) . ?
Mo2 O11 1.819(6) . ?
Mo2 O1 2.085(6) . ?
Mo2 O25 2.091(6) . ?
Mo2 O30 2.375(6) . ?
Mo3 O40 1.689(6) . ?
Mo3 O20 1.786(5) . ?
Mo3 O23 1.789(6) . ?
Mo3 O7 2.078(6) . ?
Mo3 O15 2.158(6) . ?
Mo3 O29 2.369(6) . ?
Mo4 O32 1.681(6) . ?
Mo4 O13 1.769(6) . ?
Mo4 O17 1.796(6) . ?
Mo4 O2 2.072(6) . ?
Mo4 O25 2.079(6) . ?
Mo4 O22 2.380(5) . ?
Mo5 O14 1.696(6) . ?
Mo5 O4 1.755(6) . ?
Mo5 O5 1.808(6) . ?
Mo5 O1 2.077(6) . ?
Mo5 O28 2.092(6) . ?
Mo5 O30 2.397(6) . ?
Mo6 O37 1.687(6) . ?
Mo6 O3 1.775(6) . ?
Mo6 O10 1.813(6) . ?
Mo6 O2 2.067(6) . ?
Mo6 O28 2.100(6) . ?
Mo6 O22 2.399(6) . ?
Mo7 O33 1.709(5) . ?
Mo7 O18 1.787(6) . ?
Mo7 O8 1.793(6) . ?
Mo7 O34 2.082(6) . ?
Mo7 O15 2.158(6) . ?
Mo7 O29 2.385(5) . ?
Mo8 O38 1.689(6) . ?
Mo8 O9 1.788(6) . ?
Mo8 O27 1.802(6) . ?
Mo8 O7 2.085(6) . ?
Mo8 O12 2.090(6) . ?
Mo8 O31 2.368(6) . ?
Mo1 O35 1.691(6) . ?
Mo1 O6 1.795(6) . ?
Mo1 O26 1.832(6) . ?
Mo1 O34 2.073(6) . ?
Mo1 O12 2.117(6) . ?
Mo1 O31 2.393(6) . ?
Mo1 V5 3.1310(15) . ?
V1 O24 1.594(6) . ?
V1 O3 1.964(6) . ?
V1 O8 1.974(6) . ?
V1 O23 1.983(6) . ?
V1 O4 1.997(6) . ?
V1 O29 2.456(6) . ?
V2 O19 1.581(6) . ?
V2 O6 1.937(6) . ?
V2 O18 1.939(6) . ?
V2 O5 1.973(6) . ?
V2 O11 1.990(6) . ?
V2 O30 2.391(6) . ?
As2 O28 1.856(6) . ?
As2 O25 1.865(6) . ?
As2 O1 1.998(5) . ?
As2 O2 2.018(6) . ?
V4 O36 1.589(6) . ?
V4 O27 1.961(6) . ?
V4 O16 1.962(6) . ?
V4 O13 1.962(6) . ?
V4 O26 1.988(6) . ?
V4 O31 2.360(6) . ?
V3 O39 1.579(6) . ?
V3 O20 1.934(6) . ?
V3 O9 1.955(6) . ?
V3 O17 1.978(6) . ?
V3 O10 1.982(6) . ?
V3 O22 2.400(6) . ?
V5 O41 1.582(7) . ?
V5 O7 1.886(6) . ?
V5 O34 1.890(6) . ?
V5 O12 1.970(6) . ?
V5 O15 2.033(7) . ?
O12 Ag2 2.815(12) . ?
N1 C4 1.368(12) . ?
N1 C2 1.390(12) . ?
C1 C3 1.389(12) . ?
C1 C15 1.410(13) . ?
C1 C1 1.506(16) 3 ?
C2 C15 1.351(13) . ?
C3 C4 1.345(12) . ?
C5 C8 1.365(12) . ?
C5 C7 1.392(12) . ?
C5 C6 1.477(13) . ?
C6 C12 1.374(12) . ?
C6 C9 1.386(12) . ?
C7 C13 1.357(14) . ?
C8 C10 1.405(14) . ?
C9 C11 1.363(14) . ?
N4 C10 1.327(13) . ?
N4 C13 1.321(12) . ?
N4 Ag2 2.698(13) . ?
N5 C14 1.342(13) . ?
N5 C11 1.370(13) . ?
N5 Ag1 2.698(11) 3_767 ?
C12 C14 1.373(14) . ?
C16 C27 1.361(13) . ?
C16 C19 1.402(14) . ?
C16 C17 1.454(13) . ?
C17 C18 1.377(13) . ?
C17 C28 1.393(13) . ?
C18 C26 1.368(13) . ?
C19 C20 1.381(14) . ?
C20 N6 1.308(13) . ?
C21 C25 1.356(14) . ?
C21 C31 1.398(14) . ?
C21 C22 1.468(14) . ?
C22 C32 1.369(13) . ?
C22 C24 1.402(15) . ?
C23 N3 1.302(13) . ?
C23 C24 1.369(15) . ?
C25 C34 1.394(17) . ?
N7 C30 1.300(13) . ?
N7 C26 1.323(13) . ?
N7 Ag1 2.695(11) 1_565 ?
C27 C29 1.409(14) . ?
N6 C29 1.345(14) . ?
N6 Ag3 2.657(12) . ?
C28 C30 1.346(14) . ?
N3 C33 1.340(13) . ?
N3 Ag2 2.783(14) . ?
C31 C35 1.314(14) . ?
C32 C33 1.384(14) . ?
N2 C35 1.310(13) . ?
N2 C34 1.317(17) . ?
Ag1 N7 2.695(11) 1_545 ?
Ag1 N5 2.698(11) 3_767 ?
Ag1 Ag3 2.805(10) . ?
Ag3 N8 2.716(11) . ?
C36 C44 1.375(12) . ?
C36 C39 1.377(12) . ?
C36 C38 1.484(12) . ?
C37 C41 1.380(13) . ?
C37 C38 1.403(12) . ?
C38 C43 1.396(13) . ?
C39 C40 1.371(13) . ?
C40 N8 1.309(12) . ?
C41 N9 1.352(12) . ?
C42 C44 1.356(13) . ?
C42 N8 1.355(12) . ?
C43 C45 1.430(15) . ?
N9 C45 1.290(13) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O29 As1 O22 108.6(3) . . ?
O29 As1 O31 110.2(3) . . ?
O22 As1 O31 107.7(3) . . ?
O29 As1 O30 108.8(3) . . ?
O22 As1 O30 113.2(3) . . ?
O31 As1 O30 108.4(3) . . ?
O21 Mo2 O16 106.0(3) . . ?
O21 Mo2 O11 103.7(3) . . ?
O16 Mo2 O11 99.7(3) . . ?
O21 Mo2 O1 96.9(3) . . ?
O16 Mo2 O1 151.0(2) . . ?
O11 Mo2 O1 91.6(2) . . ?
O21 Mo2 O25 96.4(3) . . ?
O16 Mo2 O25 86.7(2) . . ?
O11 Mo2 O25 156.2(2) . . ?
O1 Mo2 O25 73.1(2) . . ?
O21 Mo2 O30 166.2(3) . . ?
O16 Mo2 O30 87.5(2) . . ?
O11 Mo2 O30 76.0(2) . . ?
O1 Mo2 O30 69.4(2) . . ?
O25 Mo2 O30 81.5(2) . . ?
O40 Mo3 O20 105.5(3) . . ?
O40 Mo3 O23 101.7(3) . . ?
O20 Mo3 O23 101.8(3) . . ?
O40 Mo3 O7 98.6(3) . . ?
O20 Mo3 O7 86.7(3) . . ?
O23 Mo3 O7 154.9(2) . . ?
O40 Mo3 O15 95.0(3) . . ?
O20 Mo3 O15 153.4(3) . . ?
O23 Mo3 O15 90.1(3) . . ?
O7 Mo3 O15 73.4(2) . . ?
O40 Mo3 O29 163.3(2) . . ?
O20 Mo3 O29 91.1(2) . . ?
O23 Mo3 O29 75.2(2) . . ?
O7 Mo3 O29 81.1(2) . . ?
O15 Mo3 O29 68.8(2) . . ?
O32 Mo4 O13 104.9(3) . . ?
O32 Mo4 O17 103.2(3) . . ?
O13 Mo4 O17 98.9(3) . . ?
O32 Mo4 O2 98.5(3) . . ?
O13 Mo4 O2 151.2(2) . . ?
O17 Mo4 O2 91.7(3) . . ?
O32 Mo4 O25 98.4(3) . . ?
O13 Mo4 O25 87.0(2) . . ?
O17 Mo4 O25 155.2(2) . . ?
O2 Mo4 O25 73.0(2) . . ?
O32 Mo4 O22 167.3(3) . . ?
O13 Mo4 O22 87.8(2) . . ?
O17 Mo4 O22 74.9(2) . . ?
O2 Mo4 O22 69.1(2) . . ?
O25 Mo4 O22 81.4(2) . . ?
O14 Mo5 O4 104.0(3) . . ?
O14 Mo5 O5 101.9(3) . . ?
O4 Mo5 O5 100.5(3) . . ?
O14 Mo5 O1 98.6(3) . . ?
O4 Mo5 O1 151.6(2) . . ?
O5 Mo5 O1 91.3(2) . . ?
O14 Mo5 O28 100.5(3) . . ?
O4 Mo5 O28 85.9(2) . . ?
O5 Mo5 O28 154.4(3) . . ?
O1 Mo5 O28 73.1(2) . . ?
O14 Mo5 O30 166.6(2) . . ?
O4 Mo5 O30 89.3(2) . . ?
O5 Mo5 O30 74.1(2) . . ?
O1 Mo5 O30 69.1(2) . . ?
O28 Mo5 O30 81.3(2) . . ?
O37 Mo6 O3 104.1(3) . . ?
O37 Mo6 O10 102.0(3) . . ?
O3 Mo6 O10 101.3(3) . . ?
O37 Mo6 O2 98.6(3) . . ?
O3 Mo6 O2 150.9(3) . . ?
O10 Mo6 O2 91.3(2) . . ?
O37 Mo6 O28 99.8(3) . . ?
O3 Mo6 O28 85.0(2) . . ?
O10 Mo6 O28 155.0(3) . . ?
O2 Mo6 O28 73.3(2) . . ?
O37 Mo6 O22 166.5(3) . . ?
O3 Mo6 O22 89.3(2) . . ?
O10 Mo6 O22 74.3(2) . . ?
O2 Mo6 O22 68.8(2) . . ?
O28 Mo6 O22 81.6(2) . . ?
O33 Mo7 O18 106.0(3) . . ?
O33 Mo7 O8 101.7(3) . . ?
O18 Mo7 O8 100.1(3) . . ?
O33 Mo7 O34 99.0(3) . . ?
O18 Mo7 O34 87.1(2) . . ?
O8 Mo7 O34 155.2(2) . . ?
O33 Mo7 O15 95.6(3) . . ?
O18 Mo7 O15 153.0(2) . . ?
O8 Mo7 O15 91.1(3) . . ?
O34 Mo7 O15 73.3(2) . . ?
O33 Mo7 O29 163.5(3) . . ?
O18 Mo7 O29 90.5(2) . . ?
O8 Mo7 O29 75.1(2) . . ?
O34 Mo7 O29 81.3(2) . . ?
O15 Mo7 O29 68.5(2) . . ?
O38 Mo8 O9 105.1(3) . . ?
O38 Mo8 O27 102.3(3) . . ?
O9 Mo8 O27 98.9(3) . . ?
O38 Mo8 O7 98.8(3) . . ?
O9 Mo8 O7 86.6(2) . . ?
O27 Mo8 O7 155.9(2) . . ?
O38 Mo8 O12 96.8(3) . . ?
O9 Mo8 O12 152.4(3) . . ?
O27 Mo8 O12 92.6(2) . . ?
O7 Mo8 O12 73.5(2) . . ?
O38 Mo8 O31 164.7(3) . . ?
O9 Mo8 O31 90.2(2) . . ?
O27 Mo8 O31 74.4(2) . . ?
O7 Mo8 O31 82.2(2) . . ?
O12 Mo8 O31 68.8(2) . . ?
O35 Mo1 O6 105.6(3) . . ?
O35 Mo1 O26 101.8(3) . . ?
O6 Mo1 O26 98.7(3) . . ?
O35 Mo1 O34 99.4(3) . . ?
O6 Mo1 O34 87.4(2) . . ?
O26 Mo1 O34 155.5(2) . . ?
O35 Mo1 O12 97.9(3) . . ?
O6 Mo1 O12 152.1(3) . . ?
O26 Mo1 O12 90.9(2) . . ?
O34 Mo1 O12 74.0(2) . . ?
O35 Mo1 O31 164.5(3) . . ?
O6 Mo1 O31 89.7(2) . . ?
O26 Mo1 O31 73.6(2) . . ?
O34 Mo1 O31 82.7(2) . . ?
O12 Mo1 O31 67.9(2) . . ?
O35 Mo1 V5 98.7(2) . . ?
O6 Mo1 V5 121.37(19) . . ?
O26 Mo1 V5 127.43(19) . . ?
O34 Mo1 V5 35.79(16) . . ?
O12 Mo1 V5 38.29(16) . . ?
O31 Mo1 V5 74.02(14) . . ?
O24 V1 O3 103.8(3) . . ?
O24 V1 O8 101.7(3) . . ?
O3 V1 O8 154.5(3) . . ?
O24 V1 O23 102.2(3) . . ?
O3 V1 O23 89.8(2) . . ?
O8 V1 O23 85.6(2) . . ?
O24 V1 O4 103.2(3) . . ?
O3 V1 O4 84.8(2) . . ?
O8 V1 O4 88.6(2) . . ?
O23 V1 O4 154.6(3) . . ?
O24 V1 O29 169.1(3) . . ?
O3 V1 O29 84.3(2) . . ?
O8 V1 O29 70.5(2) . . ?
O23 V1 O29 70.1(2) . . ?
O4 V1 O29 84.6(2) . . ?
O19 V2 O6 104.6(3) . . ?
O19 V2 O18 103.0(3) . . ?
O6 V2 O18 85.5(2) . . ?
O19 V2 O5 99.8(3) . . ?
O6 V2 O5 155.6(2) . . ?
O18 V2 O5 89.5(3) . . ?
O19 V2 O11 100.5(3) . . ?
O6 V2 O11 91.2(2) . . ?
O18 V2 O11 156.4(2) . . ?
O5 V2 O11 83.9(2) . . ?
O19 V2 O30 169.3(3) . . ?
O6 V2 O30 84.1(2) . . ?
O18 V2 O30 83.7(2) . . ?
O5 V2 O30 71.6(2) . . ?
O11 V2 O30 72.7(2) . . ?
O28 As2 O25 110.7(3) . . ?
O28 As2 O1 80.1(2) . . ?
O25 As2 O1 80.1(2) . . ?
O28 As2 O2 79.8(2) . . ?
O25 As2 O2 78.9(3) . . ?
O1 As2 O2 143.4(2) . . ?
O36 V4 O27 101.0(3) . . ?
O36 V4 O16 103.0(3) . . ?
O27 V4 O16 155.9(3) . . ?
O36 V4 O13 104.5(3) . . ?
O27 V4 O13 89.7(3) . . ?
O16 V4 O13 86.2(2) . . ?
O36 V4 O26 98.7(3) . . ?
O27 V4 O26 85.7(2) . . ?
O16 V4 O26 88.8(2) . . ?
O13 V4 O26 156.8(3) . . ?
O36 V4 O31 168.4(3) . . ?
O27 V4 O31 72.0(2) . . ?
O16 V4 O31 84.0(2) . . ?
O13 V4 O31 85.0(2) . . ?
O26 V4 O31 71.9(2) . . ?
O39 V3 O20 103.1(3) . . ?
O39 V3 O9 103.2(3) . . ?
O20 V3 O9 84.8(3) . . ?
O39 V3 O17 101.7(3) . . ?
O20 V3 O17 155.1(3) . . ?
O9 V3 O17 90.9(3) . . ?
O39 V3 O10 101.6(3) . . ?
O20 V3 O10 89.8(3) . . ?
O9 V3 O10 155.2(3) . . ?
O17 V3 O10 83.9(3) . . ?
O39 V3 O22 170.7(3) . . ?
O20 V3 O22 83.6(2) . . ?
O9 V3 O22 83.6(2) . . ?
O17 V3 O22 71.5(2) . . ?
O10 V3 O22 71.7(2) . . ?
O41 V5 O7 121.6(3) . . ?
O41 V5 O34 124.5(3) . . ?
O7 V5 O34 113.9(3) . . ?
O41 V5 O12 107.3(4) . . ?
O7 V5 O12 80.7(2) . . ?
O34 V5 O12 81.5(2) . . ?
O41 V5 O15 107.0(3) . . ?
O7 V5 O15 80.4(2) . . ?
O34 V5 O15 80.3(2) . . ?
O12 V5 O15 145.7(3) . . ?
O41 V5 Mo1 122.5(3) . . ?
O7 V5 Mo1 101.87(18) . . ?
O34 V5 Mo1 39.90(18) . . ?
O12 V5 Mo1 41.75(17) . . ?
O15 V5 Mo1 116.28(17) . . ?
As2 O1 Mo5 101.0(3) . . ?
As2 O1 Mo2 101.0(2) . . ?
Mo5 O1 Mo2 119.7(3) . . ?
As2 O2 Mo6 101.0(2) . . ?
As2 O2 Mo4 101.2(3) . . ?
Mo6 O2 Mo4 120.5(3) . . ?
Mo6 O3 V1 156.3(4) . . ?
Mo5 O4 V1 155.0(3) . . ?
Mo5 O5 V2 125.0(3) . . ?
Mo1 O6 V2 154.9(4) . . ?
V5 O7 Mo3 107.0(3) . . ?
V5 O7 Mo8 104.4(3) . . ?
Mo3 O7 Mo8 141.1(3) . . ?
Mo7 O8 V1 126.0(3) . . ?
Mo8 O9 V3 155.1(3) . . ?
Mo6 O10 V3 124.6(3) . . ?
Mo2 O11 V2 122.0(3) . . ?
V5 O12 Mo8 101.3(3) . . ?
V5 O12 Mo1 100.0(3) . . ?
Mo8 O12 Mo1 119.9(3) . . ?
V5 O12 Ag2 102.0(3) . . ?
Mo8 O12 Ag2 116.5(3) . . ?
Mo1 O12 Ag2 112.8(3) . . ?
Mo4 O13 V4 154.9(3) . . ?
V5 O15 Mo7 99.3(2) . . ?
V5 O15 Mo3 99.1(2) . . ?
Mo7 O15 Mo3 117.2(3) . . ?
Mo2 O16 V4 155.6(4) . . ?
Mo4 O17 V3 124.5(3) . . ?
Mo7 O18 V2 155.0(3) . . ?
Mo3 O20 V3 155.4(4) . . ?
As1 O22 Mo4 122.9(3) . . ?
As1 O22 V3 127.0(3) . . ?
Mo4 O22 V3 88.67(18) . . ?
As1 O22 Mo6 122.3(3) . . ?
Mo4 O22 Mo6 97.5(2) . . ?
V3 O22 Mo6 88.9(2) . . ?
Mo3 O23 V1 125.8(3) . . ?
As2 O25 Mo4 106.4(3) . . ?
As2 O25 Mo2 105.4(3) . . ?
Mo4 O25 Mo2 142.7(3) . . ?
Mo1 O26 V4 123.7(3) . . ?
Mo8 O27 V4 123.8(3) . . ?
As2 O28 Mo5 105.4(3) . . ?
As2 O28 Mo6 105.4(3) . . ?
Mo5 O28 Mo6 143.4(3) . . ?
As1 O29 Mo3 123.2(3) . . ?
As1 O29 Mo7 122.9(3) . . ?
Mo3 O29 Mo7 101.5(2) . . ?
As1 O29 V1 123.5(3) . . ?
Mo3 O29 V1 88.20(19) . . ?
Mo7 O29 V1 87.84(19) . . ?
As1 O30 Mo2 122.5(3) . . ?
As1 O30 V2 126.6(3) . . ?
Mo2 O30 V2 88.71(19) . . ?
As1 O30 Mo5 122.8(3) . . ?
Mo2 O30 Mo5 97.9(2) . . ?
V2 O30 Mo5 88.93(19) . . ?
As1 O31 V4 124.4(3) . . ?
As1 O31 Mo8 122.8(3) . . ?
V4 O31 Mo8 89.3(2) . . ?
As1 O31 Mo1 121.8(3) . . ?
V4 O31 Mo1 90.3(2) . . ?
Mo8 O31 Mo1 99.7(2) . . ?
V5 O34 Mo1 104.3(3) . . ?
V5 O34 Mo7 107.0(3) . . ?
Mo1 O34 Mo7 140.8(3) . . ?
C4 N1 C2 118.1(9) . . ?
C3 C1 C15 119.6(8) . . ?
C3 C1 C1 120.7(11) . 3 ?
C15 C1 C1 119.6(11) . 3 ?
C15 C2 N1 121.4(10) . . ?
C4 C3 C1 119.1(10) . . ?
C3 C4 N1 122.7(10) . . ?
C8 C5 C7 117.0(9) . . ?
C8 C5 C6 119.6(9) . . ?
C7 C5 C6 123.3(8) . . ?
C12 C6 C9 119.3(9) . . ?
C12 C6 C5 122.1(9) . . ?
C9 C6 C5 118.6(9) . . ?
C13 C7 C5 121.7(9) . . ?
C5 C8 C10 118.2(9) . . ?
C11 C9 C6 117.1(10) . . ?
C10 N4 C13 118.7(10) . . ?
C10 N4 Ag2 128.6(8) . . ?
C13 N4 Ag2 112.3(7) . . ?
C14 N5 C11 120.2(10) . . ?
C14 N5 Ag1 113.1(7) . 3_767 ?
C11 N5 Ag1 126.6(7) . 3_767 ?
N4 C10 C8 123.0(10) . . ?
C9 C11 N5 122.9(10) . . ?
C6 C12 C14 122.3(10) . . ?
N4 C13 C7 121.2(10) . . ?
N5 C14 C12 118.1(10) . . ?
C2 C15 C1 119.0(9) . . ?
C27 C16 C19 115.3(10) . . ?
C27 C16 C17 121.2(10) . . ?
C19 C16 C17 123.5(9) . . ?
C18 C17 C28 115.1(9) . . ?
C18 C17 C16 121.2(9) . . ?
C28 C17 C16 123.7(9) . . ?
C26 C18 C17 119.6(10) . . ?
C20 C19 C16 122.5(10) . . ?
N6 C20 C19 121.0(11) . . ?
C25 C21 C31 116.1(11) . . ?
C25 C21 C22 120.3(11) . . ?
C31 C21 C22 123.6(10) . . ?
C32 C22 C24 116.0(11) . . ?
C32 C22 C21 119.4(10) . . ?
C24 C22 C21 124.7(10) . . ?
N3 C23 C24 121.5(11) . . ?
C23 C24 C22 122.7(10) . . ?
C21 C25 C34 117.4(12) . . ?
C30 N7 C26 116.1(10) . . ?
C30 N7 Ag1 121.5(8) . 1_565 ?
C26 N7 Ag1 121.6(7) . 1_565 ?
N7 C26 C18 124.1(10) . . ?
C16 C27 C29 120.1(10) . . ?
C20 N6 C29 118.7(10) . . ?
C20 N6 Ag3 118.6(8) . . ?
C29 N6 Ag3 122.5(7) . . ?
C30 C28 C17 120.6(10) . . ?
N6 C29 C27 122.3(10) . . ?
N7 C30 C28 124.5(11) . . ?
C23 N3 C33 116.2(10) . . ?
C23 N3 Ag2 124.2(8) . . ?
C33 N3 Ag2 119.4(8) . . ?
C35 C31 C21 122.5(11) . . ?
C22 C32 C33 116.9(11) . . ?
N3 C33 C32 126.6(10) . . ?
C35 N2 C34 117.1(12) . . ?
N2 C34 C25 124.6(13) . . ?
N2 C35 C31 122.3(12) . . ?
N7 Ag1 N5 112.0(4) 1_545 3_767 ?
N7 Ag1 Ag3 105.3(3) 1_545 . ?
N5 Ag1 Ag3 130.1(3) 3_767 . ?
N4 Ag2 N3 110.7(4) . . ?
N4 Ag2 O12 105.7(4) . . ?
N3 Ag2 O12 106.3(4) . . ?
N6 Ag3 N8 117.4(4) . . ?
N6 Ag3 Ag1 111.7(4) . . ?
N8 Ag3 Ag1 127.6(4) . . ?
C44 C36 C39 117.1(9) . . ?
C44 C36 C38 120.7(9) . . ?
C39 C36 C38 122.1(9) . . ?
C41 C37 C38 119.1(9) . . ?
C43 C38 C37 117.6(9) . . ?
C43 C38 C36 123.0(9) . . ?
C37 C38 C36 119.4(9) . . ?
C40 C39 C36 120.9(10) . . ?
N8 C40 C39 122.4(10) . . ?
N9 C41 C37 121.5(9) . . ?
C44 C42 N8 124.7(10) . . ?
C38 C43 C45 119.8(10) . . ?
C42 C44 C36 118.4(10) . . ?
C40 N8 C42 116.4(9) . . ?
C40 N8 Ag3 131.4(7) . . ?
C42 N8 Ag3 111.2(7) . . ?
C45 N9 C41 121.9(9) . . ?
N9 C45 C43 120.0(10) . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O2W H2WB O1W 0.85 2.32 2.865(17) 122.6 2_645
O1W H1WB N2 0.85 1.89 2.719(16) 163.4 1_565
O1W H1WA O26 0.85 2.48 3.302(16) 162.4 .
C45 H45 O36 0.93 2.61 3.222(12) 123.4 3_666
C45 H45 O19 0.93 2.47 3.321(14) 151.7 4_566
C44 H44 O13 0.93 2.56 3.387(12) 148.1 4_576
C43 H43 O33 0.93 2.66 3.349(12) 131.5 4_566
C42 H42 O9 0.93 2.55 3.211(11) 127.9 4_576
C40 H40 O41 0.93 2.62 3.341(13) 134.9 4_566
C37 H37 O36 0.93 2.50 3.130(11) 125.6 4_576
C35 H35 O19 0.93 2.29 3.138(13) 151.9 2_645
C33 H33 O35 0.93 2.53 3.254(13) 134.7 .
C33 H33 O21 0.93 2.55 3.112(12) 119.4 2_645
C32 H32 O21 0.93 2.48 3.047(12) 119.7 2_645
C31 H31 O11 0.93 2.54 3.433(12) 162.4 2_645
C30 H30 O10 0.93 2.47 3.272(13) 143.9 2_746
C29 H29 O37 0.93 2.45 3.055(12) 123.1 1_546
C27 H27 O23 0.93 2.45 3.061(12) 123.3 2_746
C26 H26 O14 0.93 2.50 3.305(12) 144.3 1_556
C24 H24 O1 0.93 2.33 3.196(12) 154.5 4_576
C23 H23 O5 0.93 2.38 3.241(12) 153.5 4_576
C19 H19 O7 0.93 2.49 3.332(12) 151.2 4_576
C18 H18 O41 0.93 2.62 3.350(12) 136.0 4_576
C15 H15 O39 0.93 2.48 3.394(11) 167.4 2_635
C14 H14 O10 0.93 2.55 3.294(12) 137.6 4_586
C13 H13 O5 0.93 2.28 3.022(12) 136.1 4_576
C12 H12 O2 0.93 2.36 3.257(11) 161.7 4_586
C11 H11 O37 0.93 2.36 3.182(12) 147.0 3_776
C10 H10 O38 0.93 2.53 3.139(13) 123.1 .
C8 H8 O2 0.93 2.64 3.428(11) 143.2 4_586
C7 H7 O18 0.93 2.65 3.234(11) 121.4 4_576
C4 H4 O40 0.93 2.40 3.163(12) 139.8 2_645
C2 H2 O33 0.93 2.51 3.266(12) 139.1 2_645
O2W H2WB O1W 0.85 2.32 2.865(17) 122.6 2_645
O1W H1WB N2 0.85 1.89 2.719(16) 163.4 1_565
O1W H1WA O26 0.85 2.48 3.302(16) 162.4 .
C45 H45 O36 0.93 2.61 3.222(12) 123.4 3_666
C45 H45 O19 0.93 2.47 3.321(14) 151.7 4_566
C44 H44 O13 0.93 2.56 3.387(12) 148.1 4_576
C43 H43 O33 0.93 2.66 3.349(12) 131.5 4_566
C42 H42 O9 0.93 2.55 3.211(11) 127.9 4_576
C40 H40 O41 0.93 2.62 3.341(13) 134.9 4_566
C37 H37 O36 0.93 2.50 3.130(11) 125.6 4_576
C35 H35 O19 0.93 2.29 3.138(13) 151.9 2_645
C33 H33 O35 0.93 2.53 3.254(13) 134.7 .
C33 H33 O21 0.93 2.55 3.112(12) 119.4 2_645
C32 H32 O21 0.93 2.48 3.047(12) 119.7 2_645
C31 H31 O11 0.93 2.54 3.433(12) 162.4 2_645
C30 H30 O10 0.93 2.47 3.272(13) 143.9 2_746
C29 H29 O37 0.93 2.45 3.055(12) 123.1 1_546
C27 H27 O23 0.93 2.45 3.061(12) 123.3 2_746
C26 H26 O14 0.93 2.50 3.305(12) 144.3 1_556
C24 H24 O1 0.93 2.33 3.196(12) 154.5 4_576
C23 H23 O5 0.93 2.38 3.241(12) 153.5 4_576
C19 H19 O7 0.93 2.49 3.332(12) 151.2 4_576
C18 H18 O41 0.93 2.62 3.350(12) 136.0 4_576
C15 H15 O39 0.93 2.48 3.394(11) 167.4 2_635
C14 H14 O10 0.93 2.55 3.294(12) 137.6 4_586
C13 H13 O5 0.93 2.28 3.022(12) 136.1 4_576
C12 H12 O2 0.93 2.36 3.257(11) 161.7 4_586
C11 H11 O37 0.93 2.36 3.182(12) 147.0 3_776
C10 H10 O38 0.93 2.53 3.139(13) 123.1 .
C8 H8 O2 0.93 2.64 3.428(11) 143.2 4_586
C7 H7 O18 0.93 2.65 3.234(11) 121.4 4_576
C4 H4 O40 0.93 2.40 3.163(12) 139.8 2_645
C2 H2 O33 0.93 2.51 3.266(12) 139.1 2_645
C2 H2 O33 0.93 2.51 3.266(12) 139.1 2_645
C4 H4 O40 0.93 2.40 3.163(12) 139.8 2_645
C7 H7 O18 0.93 2.65 3.234(11) 121.4 4_576
C8 H8 O2 0.93 2.64 3.428(11) 143.2 4_586
C10 H10 O38 0.93 2.53 3.139(13) 123.1 .
C11 H11 O37 0.93 2.36 3.182(12) 147.0 3_776
C12 H12 O2 0.93 2.36 3.257(11) 161.7 4_586
C13 H13 O5 0.93 2.28 3.022(12) 136.1 4_576
C14 H14 O10 0.93 2.55 3.294(12) 137.6 4_586
C15 H15 O39 0.93 2.48 3.394(11) 167.4 2_635
C18 H18 O41 0.93 2.62 3.350(12) 136.0 4_576
C19 H19 O7 0.93 2.49 3.332(12) 151.2 4_576
C23 H23 O5 0.93 2.38 3.241(12) 153.5 4_576
C24 H24 O1 0.93 2.33 3.196(12) 154.5 4_576
C26 H26 O14 0.93 2.50 3.305(12) 144.3 1_556
C27 H27 O23 0.93 2.45 3.061(12) 123.3 2_746
C29 H29 O37 0.93 2.45 3.055(12) 123.1 1_546
C30 H30 O10 0.93 2.47 3.272(13) 143.9 2_746
C31 H31 O11 0.93 2.54 3.433(12) 162.4 2_645
C32 H32 O21 0.93 2.48 3.047(12) 119.7 2_645
C33 H33 O21 0.93 2.55 3.112(12) 119.4 2_645
C33 H33 O35 0.93 2.53 3.254(13) 134.7 .
C35 H35 O19 0.93 2.29 3.138(13) 151.9 2_645
C37 H37 O36 0.93 2.50 3.130(11) 125.6 4_576
C40 H40 O41 0.93 2.62 3.341(13) 134.9 4_566
C42 H42 O9 0.93 2.55 3.211(11) 127.9 4_576
C43 H43 O33 0.93 2.66 3.349(12) 131.5 4_566
C44 H44 O13 0.93 2.56 3.387(12) 148.1 4_576
C45 H45 O19 0.93 2.47 3.321(14) 151.7 4_566
C45 H45 O36 0.93 2.61 3.222(12) 123.4 3_666
O1W H1WA O26 0.85 2.48 3.302(16) 162.4 .
O1W H1WB N2 0.85 1.89 2.719(16) 163.4 1_565
O2W H2WB O1W 0.85 2.32 2.865(17) 122.6 2_645

_refine_diff_density_max         1.849
_refine_diff_density_min         -1.953
_refine_diff_density_rms         0.208



