# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2018

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

data_2
_database_code_depnum_ccdc_archive 'CCDC 1586934'
_audit_update_record             
;
2017-11-21 deposited with the CCDC.
2018-08-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C6 H12 Ag8 N16 O48 P S4 W12'
_chemical_formula_sum            'C6 H12 Ag8 N16 O48 P S4 W12'
_chemical_formula_weight         4304.69

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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'
W W -0.8490 6.8722 '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                   13.0330(19)
_cell_length_b                   22.665(3)
_cell_length_c                   11.9449(16)
_cell_angle_alpha                90
_cell_angle_beta                 116.967(2)
_cell_angle_gamma                90
_cell_volume                     3144.8(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    7271
_cell_measurement_theta_min      2.33
_cell_measurement_theta_max      27.577

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    4.546
_exptl_crystal_F_000             3774
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.026
_exptl_crystal_size_mid          0.024
_exptl_crystal_size_min          0.023
_exptl_absorpt_coefficient_mu    24.534
_shelx_estimated_absorpt_T_min   0.534
_shelx_estimated_absorpt_T_max   0.555
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.534
_exptl_absorpt_correction_T_max  0.554
_exptl_absorpt_process_details   'SADABS, Bruker'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            20204
_diffrn_reflns_av_unetI/netI     0.0527
_diffrn_reflns_av_R_equivalents  0.0461
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.113
_diffrn_reflns_theta_max         27.577
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             7233
_reflns_number_gt                5744
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXL-2016 (Sheldrick, 2016)'
_computing_structure_refinement  'SHELXL-2016 (Sheldrick, 2016)'
_computing_molecular_graphics    'SHELXL-2016 (Sheldrick, 2016)'
_computing_publication_material  'SHELXL-2016 (Sheldrick, 2016)'
_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)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7233
_refine_ls_number_parameters     439
_refine_ls_number_restraints     162
_refine_ls_R_factor_all          0.0975
_refine_ls_R_factor_gt           0.0778
_refine_ls_wR_factor_ref         0.2391
_refine_ls_wR_factor_gt          0.2319
_refine_ls_goodness_of_fit_ref   1.630
_refine_ls_restrained_S_all      1.628
_refine_ls_shift/su_max          0.038
_refine_ls_shift/su_mean         0.004

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
W1 W -0.19032(9) 1.12189(4) 0.40386(9) 0.0290(3) Uani 1 1 d . . . . .
W2 W -0.08521(9) 1.06384(4) 0.19936(8) 0.0273(2) Uani 1 1 d . . . . .
W3 W -0.10102(12) 0.85996(4) 0.36527(10) 0.0386(3) Uani 1 1 d . . . . .
W4 W -0.28698(10) 0.98278(5) 0.25951(10) 0.0394(3) Uani 1 1 d . . . . .
W5 W -0.09671(10) 1.06232(5) 0.70946(9) 0.0333(3) Uani 1 1 d . . . . .
W6 W 0.20504(10) 1.07498(5) 0.43565(11) 0.0372(3) Uani 1 1 d . . . . .
P1 P 0.000000 1.000000 0.500000 0.0187(14) Uani 1 2 d S U P . .
Ag2 Ag 0.0805(2) 0.79892(11) 0.03834(18) 0.0456(6) Uani 1 1 d . . . . .
Ag4 Ag 0.5786(2) 0.69940(10) 0.10184(18) 0.0441(5) Uani 1 1 d . . . . .
Ag3 Ag 0.3947(2) 0.78952(13) 0.2605(2) 0.0523(6) Uani 1 1 d . . . . .
Ag1 Ag -0.09635(19) 0.72449(13) 0.1679(2) 0.0526(6) Uani 1 1 d . . . . .
O2 O -0.209(2) 1.0155(9) 0.176(2) 0.055(6) Uani 1 1 d . . . . .
O4 O -0.1477(19) 1.1188(9) 0.2697(19) 0.048(5) Uani 1 1 d . . . . .
O3 O 0.0617(18) 1.0935(9) 0.2919(19) 0.048(5) Uani 1 1 d . U . . .
O5 O -0.279(2) 1.1804(9) 0.361(2) 0.057(6) Uani 1 1 d . U . . .
O1 O -0.1220(19) 1.0932(8) 0.0575(15) 0.043(5) Uani 1 1 d . . . . .
O6 O -0.215(3) 0.9146(12) 0.256(2) 0.076(7) Uani 1 1 d . U . . .
O9 O -0.1406(18) 1.0952(9) 0.8080(16) 0.043(5) Uani 1 1 d . . . . .
O10 O 0.2991(16) 1.1129(9) 0.4036(19) 0.047(5) Uani 1 1 d . . . . .
O8 O -0.193(2) 1.0980(12) 0.5521(17) 0.067(8) Uani 1 1 d . . . . .
O7 O -0.295(2) 1.0607(9) 0.319(2) 0.057(6) Uani 1 1 d . . . . .
O14 O -0.045(2) 1.1624(12) 0.505(2) 0.066(7) Uani 1 1 d . . . . .
O15 O 0.017(2) 1.1138(11) 0.7238(19) 0.072(8) Uani 1 1 d . . . . .
O16 O 0.008(2) 1.0098(10) 0.809(2) 0.064(6) Uani 1 1 d . U . . .
O13 O -0.4214(18) 0.9737(11) 0.147(2) 0.062(6) Uani 1 1 d . U . . .
O11 O 0.164(2) 1.1354(10) 0.523(2) 0.059(6) Uani 1 1 d . U . . .
O12 O 0.198(2) 1.0052(10) 0.352(2) 0.061(6) Uani 1 1 d . U . . .
O18 O -0.150(2) 0.7945(8) 0.2975(18) 0.054(6) Uani 1 1 d . . . . .
O21 O -0.0348(19) 1.0587(9) 0.5369(18) 0.048(3) Uani 1 1 d . U . . .
O22 O -0.0365(19) 0.9880(8) 0.6005(18) 0.045(3) Uani 1 1 d . U . . .
O19 O -0.0928(19) 1.0294(9) 0.3880(18) 0.047(3) Uani 1 1 d . U . . .
O17 O -0.302(3) 0.9580(14) 0.406(3) 0.089(10) Uani 1 1 d . . . . .
O20 O -0.1039(19) 0.9628(9) 0.4445(18) 0.049(3) Uani 1 1 d . U . . .
S1 S -0.1374(5) 0.8267(2) -0.1065(5) 0.0260(11) Uani 1 1 d . . . . .
S2 S 0.3949(5) 0.7817(3) 0.0458(5) 0.0282(12) Uani 1 1 d . . . . .
N1 N 0.0840(17) 0.7427(8) 0.2876(16) 0.024(4) Uani 1 1 d . U . . .
N2 N -0.2449(15) 0.7611(8) 0.0075(15) 0.022(4) Uani 1 1 d . . . . .
N3 N 0.1561(16) 0.7237(8) 0.4020(15) 0.019(3) Uani 1 1 d . U . . .
N4 N 0.1486(16) 0.7643(8) 0.2372(15) 0.021(4) Uani 1 1 d . . . . .
N5 N 0.2609(19) 0.7627(10) 0.3211(19) 0.034(5) Uani 1 1 d . . . . .
N7 N -0.4215(18) 0.7603(8) -0.1442(16) 0.025(4) Uani 1 1 d . U . . .
N6 N -0.3497(18) 0.7413(8) -0.0253(18) 0.030(5) Uani 1 1 d . . . . .
C1 C 0.263(2) 0.7359(10) 0.415(2) 0.028(5) Uani 1 1 d . . . . .
N8 N -0.3585(18) 0.7870(9) -0.1899(18) 0.030(4) Uani 1 1 d . . . . .
C4 C -0.248(2) 0.7876(10) -0.091(2) 0.025(4) Uani 1 1 d . U . . .
C3 C -0.163(3) 0.9000(12) -0.061(3) 0.053(8) Uani 1 1 d . U . . .
H3A H -0.108401 0.927245 -0.065183 0.080 Uiso 1 1 calc R U . . .
H3B H -0.239682 0.912516 -0.118102 0.080 Uiso 1 1 calc R U . . .
H3C H -0.154860 0.898739 0.022544 0.080 Uiso 1 1 calc R U . . .
C2 C 0.426(3) 0.8512(13) -0.006(3) 0.050(7) Uani 1 1 d . U . . .
H2A H 0.497288 0.866580 0.057495 0.075 Uiso 1 1 calc R U . . .
H2B H 0.432199 0.845281 -0.082343 0.075 Uiso 1 1 calc R U . . .
H2C H 0.365069 0.878639 -0.020920 0.075 Uiso 1 1 calc R U . . .
O2W O -0.665(4) 0.9666(18) 0.137(4) 0.122(12) Uani 1 1 d . U . . .
O1W O 0.431(3) 0.6206(16) -0.010(4) 0.117(11) Uani 1 1 d . U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
W1 O5 1.68(2) . ?
W1 O7 1.887(19) . ?
W1 O8 1.864(19) . ?
W1 O4 1.920(17) . ?
W1 O14 1.95(2) . ?
W1 O21 2.40(2) . ?
W1 O19 2.50(2) . ?
W2 O1 1.675(15) . ?
W2 O3 1.85(2) . ?
W2 O2 1.86(2) . ?
W2 O4 1.882(19) . ?
W2 O16 1.98(2) 3_576 ?
W2 O19 2.43(2) . ?
W2 O22 2.484(19) 3_576 ?
W3 O18 1.673(19) . ?
W3 O11 1.86(2) 3_576 ?
W3 O14 1.90(2) 3_576 ?
W3 O6 1.92(3) . ?
W3 O15 1.93(2) 3_576 ?
W3 O21 2.45(2) 3_576 ?
W4 O13 1.67(2) . ?
W4 O6 1.81(3) . ?
W4 O2 1.876(19) . ?
W4 O7 1.92(2) . ?
W4 O17 1.93(2) . ?
W4 O20 2.45(2) . ?
W5 O9 1.697(17) . ?
W5 O16 1.79(2) . ?
W5 O15 1.83(2) . ?
W5 O8 1.90(2) . ?
W5 O12 1.93(2) 3_576 ?
W5 O22 2.46(2) . ?
W5 O21 2.53(2) . ?
W6 O10 1.676(18) . ?
W6 O12 1.85(2) . ?
W6 O17 1.89(3) 3_576 ?
W6 O3 1.92(2) . ?
W6 O11 1.94(2) . ?
W6 O22 2.49(2) 3_576 ?
W6 O20 2.50(2) 3_576 ?
P1 O20 1.47(2) 3_576 ?
P1 O20 1.47(2) . ?
P1 O22 1.50(2) 3_576 ?
P1 O22 1.50(2) . ?
P1 O19 1.49(2) 3_576 ?
P1 O19 1.49(2) . ?
P1 O21 1.53(2) 3_576 ?
P1 O21 1.53(2) . ?
Ag2 N4 2.266(15) . ?
Ag2 N3 2.311(16) 4_575 ?
Ag2 S1 2.646(6) . ?
Ag4 N8 2.260(19) 4_676 ?
Ag4 N6 2.32(2) 1_655 ?
Ag4 O1W 2.52(3) . ?
Ag4 O10 2.547(19) 2_645 ?
Ag4 S2 2.866(6) . ?
Ag3 N5 2.25(2) . ?
Ag3 N7 2.415(19) 4_676 ?
Ag3 S2 2.572(6) . ?
Ag1 N1 2.166(19) . ?
Ag1 N2 2.178(18) . ?
Ag1 O18 2.53(2) . ?
O21 O19 1.72(3) . ?
O22 O19 1.68(3) 3_576 ?
O22 O20 1.76(3) . ?
O19 O20 1.69(3) . ?
S1 C4 1.77(2) . ?
S1 C3 1.82(3) . ?
S2 C1 1.77(2) 4_575 ?
S2 C2 1.80(3) . ?
N1 N4 1.33(3) . ?
N1 N3 1.33(2) . ?
N2 C4 1.31(3) . ?
N2 N6 1.32(3) . ?
N3 C1 1.36(3) . ?
N4 N5 1.35(3) . ?
N5 C1 1.26(3) . ?
N7 N8 1.32(3) . ?
N7 N6 1.37(3) . ?
N8 C4 1.39(3) . ?

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
O5 W1 O7 100.6(12) . . ?
O5 W1 O8 102.2(12) . . ?
O7 W1 O8 88.8(10) . . ?
O5 W1 O4 101.3(10) . . ?
O7 W1 O4 86.4(8) . . ?
O8 W1 O4 156.5(12) . . ?
O5 W1 O14 99.1(12) . . ?
O7 W1 O14 160.2(11) . . ?
O8 W1 O14 88.7(9) . . ?
O4 W1 O14 88.1(9) . . ?
O5 W1 O21 158.5(10) . . ?
O7 W1 O21 96.1(10) . . ?
O8 W1 O21 64.6(10) . . ?
O4 W1 O21 93.1(9) . . ?
O14 W1 O21 65.3(9) . . ?
O5 W1 O19 160.4(10) . . ?
O7 W1 O19 67.2(9) . . ?
O8 W1 O19 93.2(11) . . ?
O4 W1 O19 63.7(8) . . ?
O14 W1 O19 93.4(10) . . ?
O21 W1 O19 41.0(6) . . ?
O1 W2 O3 101.8(10) . . ?
O1 W2 O2 104.4(10) . . ?
O3 W2 O2 153.5(10) . . ?
O1 W2 O4 101.9(9) . . ?
O3 W2 O4 91.9(9) . . ?
O2 W2 O4 86.4(8) . . ?
O1 W2 O16 101.6(10) . 3_576 ?
O3 W2 O16 85.6(10) . 3_576 ?
O2 W2 O16 85.6(10) . 3_576 ?
O4 W2 O16 156.4(10) . 3_576 ?
O1 W2 O19 162.3(9) . . ?
O3 W2 O19 91.7(8) . . ?
O2 W2 O19 63.6(8) . . ?
O4 W2 O19 65.8(8) . . ?
O16 W2 O19 90.8(9) 3_576 . ?
O1 W2 O22 157.8(9) . 3_576 ?
O3 W2 O22 63.9(8) . 3_576 ?
O2 W2 O22 89.9(9) . 3_576 ?
O4 W2 O22 95.7(9) . 3_576 ?
O16 W2 O22 62.1(9) 3_576 3_576 ?
O19 W2 O22 39.8(7) . 3_576 ?
O18 W3 O11 101.4(11) . 3_576 ?
O18 W3 O14 100.5(11) . 3_576 ?
O11 W3 O14 92.1(10) 3_576 3_576 ?
O18 W3 O6 103.5(11) . . ?
O11 W3 O6 89.4(11) 3_576 . ?
O14 W3 O6 155.2(12) 3_576 . ?
O18 W3 O15 101.3(11) . 3_576 ?
O11 W3 O15 157.2(11) 3_576 3_576 ?
O14 W3 O15 85.6(10) 3_576 3_576 ?
O6 W3 O15 83.5(12) . 3_576 ?
O18 W3 O21 158.9(10) . 3_576 ?
O11 W3 O21 94.3(9) 3_576 3_576 ?
O14 W3 O21 64.7(9) 3_576 3_576 ?
O6 W3 O21 90.5(10) . 3_576 ?
O15 W3 O21 64.2(9) 3_576 3_576 ?
O13 W4 O6 104.0(13) . . ?
O13 W4 O2 104.3(11) . . ?
O6 W4 O2 85.2(11) . . ?
O13 W4 O7 101.3(12) . . ?
O6 W4 O7 154.7(12) . . ?
O2 W4 O7 88.2(8) . . ?
O13 W4 O17 101.0(14) . . ?
O6 W4 O17 92.1(11) . . ?
O2 W4 O17 154.4(13) . . ?
O7 W4 O17 83.5(11) . . ?
O13 W4 O20 160.3(10) . . ?
O6 W4 O20 64.0(10) . . ?
O2 W4 O20 90.7(10) . . ?
O7 W4 O20 91.8(9) . . ?
O17 W4 O20 65.5(11) . . ?
O9 W5 O16 102.9(10) . . ?
O9 W5 O15 99.7(11) . . ?
O16 W5 O15 91.3(12) . . ?
O9 W5 O8 102.8(11) . . ?
O16 W5 O8 154.1(12) . . ?
O15 W5 O8 87.9(10) . . ?
O9 W5 O12 103.0(11) . 3_576 ?
O16 W5 O12 84.7(11) . 3_576 ?
O15 W5 O12 157.3(11) . 3_576 ?
O8 W5 O12 86.2(10) . 3_576 ?
O9 W5 O22 162.7(8) . . ?
O16 W5 O22 64.6(9) . . ?
O15 W5 O22 92.6(10) . . ?
O8 W5 O22 89.6(10) . . ?
O12 W5 O22 65.4(9) 3_576 . ?
O9 W5 O21 155.6(8) . . ?
O16 W5 O21 95.4(10) . . ?
O15 W5 O21 63.5(9) . . ?
O8 W5 O21 61.2(9) . . ?
O12 W5 O21 94.6(9) 3_576 . ?
O22 W5 O21 41.7(6) . . ?
O10 W6 O12 100.2(11) . . ?
O10 W6 O17 101.8(12) . 3_576 ?
O12 W6 O17 92.8(12) . 3_576 ?
O10 W6 O3 101.5(9) . . ?
O12 W6 O3 85.1(10) . . ?
O17 W6 O3 156.6(12) 3_576 . ?
O10 W6 O11 99.7(10) . . ?
O12 W6 O11 159.5(11) . . ?
O17 W6 O11 87.9(11) 3_576 . ?
O3 W6 O11 86.2(9) . . ?
O10 W6 O22 159.0(9) . 3_576 ?
O12 W6 O22 65.9(10) . 3_576 ?
O17 W6 O22 94.8(12) 3_576 3_576 ?
O3 W6 O22 63.1(8) . 3_576 ?
O11 W6 O22 93.6(9) . 3_576 ?
O10 W6 O20 159.6(9) . 3_576 ?
O12 W6 O20 96.1(9) . 3_576 ?
O17 W6 O20 65.0(11) 3_576 3_576 ?
O3 W6 O20 92.0(8) . 3_576 ?
O11 W6 O20 65.7(9) . 3_576 ?
O22 W6 O20 41.3(6) 3_576 3_576 ?
O20 P1 O20 180.0(17) 3_576 . ?
O20 P1 O22 72.3(11) 3_576 3_576 ?
O20 P1 O22 107.7(11) . 3_576 ?
O20 P1 O22 107.7(11) 3_576 . ?
O20 P1 O22 72.3(11) . . ?
O22 P1 O22 180.0(13) 3_576 . ?
O20 P1 O19 69.3(11) 3_576 3_576 ?
O20 P1 O19 110.7(11) . 3_576 ?
O22 P1 O19 112.0(11) 3_576 3_576 ?
O22 P1 O19 68.0(11) . 3_576 ?
O20 P1 O19 110.7(11) 3_576 . ?
O20 P1 O19 69.3(11) . . ?
O22 P1 O19 68.0(11) 3_576 . ?
O22 P1 O19 112.0(11) . . ?
O19 P1 O19 180.0 3_576 . ?
O20 P1 O21 107.1(12) 3_576 3_576 ?
O20 P1 O21 72.9(12) . 3_576 ?
O22 P1 O21 71.7(11) 3_576 3_576 ?
O22 P1 O21 108.3(11) . 3_576 ?
O19 P1 O21 69.2(11) 3_576 3_576 ?
O19 P1 O21 110.8(11) . 3_576 ?
O20 P1 O21 72.9(12) 3_576 . ?
O20 P1 O21 107.1(12) . . ?
O22 P1 O21 108.3(11) 3_576 . ?
O22 P1 O21 71.7(11) . . ?
O19 P1 O21 110.8(11) 3_576 . ?
O19 P1 O21 69.2(11) . . ?
O21 P1 O21 180.0 3_576 . ?
N4 Ag2 N3 124.9(6) . 4_575 ?
N4 Ag2 S1 124.2(5) . . ?
N3 Ag2 S1 105.4(5) 4_575 . ?
N8 Ag4 N6 127.8(7) 4_676 1_655 ?
N8 Ag4 O1W 119.3(11) 4_676 . ?
N6 Ag4 O1W 112.4(11) 1_655 . ?
N8 Ag4 O10 102.4(7) 4_676 2_645 ?
N6 Ag4 O10 81.7(7) 1_655 2_645 ?
O1W Ag4 O10 77.1(10) . 2_645 ?
N8 Ag4 S2 90.9(5) 4_676 . ?
N6 Ag4 S2 97.0(5) 1_655 . ?
O1W Ag4 S2 88.9(9) . . ?
O10 Ag4 S2 164.2(5) 2_645 . ?
N5 Ag3 N7 118.0(7) . 4_676 ?
N5 Ag3 S2 130.7(6) . . ?
N7 Ag3 S2 89.3(4) 4_676 . ?
N1 Ag1 N2 140.7(7) . . ?
N1 Ag1 O18 89.8(7) . . ?
N2 Ag1 O18 85.2(7) . . ?
W2 O2 W4 142.6(11) . . ?
W2 O4 W1 138.1(12) . . ?
W2 O3 W6 141.0(12) . . ?
W4 O6 W3 141.6(15) . . ?
W6 O10 Ag4 158.6(12) . 2_655 ?
W1 O8 W5 140.9(16) . . ?
W1 O7 W4 136.5(14) . . ?
W3 O14 W1 135.2(13) 3_576 . ?
W5 O15 W3 141.3(13) . 3_576 ?
W5 O16 W2 141.0(14) . 3_576 ?
W3 O11 W6 138.1(13) 3_576 . ?
W6 O12 W5 137.7(15) . 3_576 ?
W3 O18 Ag1 134.4(14) . . ?
P1 O21 O19 54.3(10) . . ?
P1 O21 W1 126.7(11) . . ?
O19 O21 W1 72.7(10) . . ?
P1 O21 W3 123.0(12) . 3_576 ?
O19 O21 W3 131.8(13) . 3_576 ?
W1 O21 W3 94.4(7) . 3_576 ?
P1 O21 W5 120.5(10) . . ?
O19 O21 W5 134.5(14) . . ?
W1 O21 W5 92.0(8) . . ?
W3 O21 W5 90.9(7) 3_576 . ?
P1 O22 O19 55.7(10) . 3_576 ?
P1 O22 O20 53.1(9) . . ?
O19 O22 O20 90.6(14) 3_576 . ?
P1 O22 W5 126.2(10) . . ?
O19 O22 W5 131.9(13) 3_576 . ?
O20 O22 W5 131.0(13) . . ?
P1 O22 W6 122.7(11) . 3_576 ?
O19 O22 W6 131.0(13) 3_576 3_576 ?
O20 O22 W6 69.6(10) . 3_576 ?
W5 O22 W6 90.9(7) . 3_576 ?
P1 O22 W2 124.0(12) . 3_576 ?
O19 O22 W2 68.3(9) 3_576 3_576 ?
O20 O22 W2 131.4(12) . 3_576 ?
W5 O22 W2 91.9(7) . 3_576 ?
W6 O22 W2 91.4(6) 3_576 3_576 ?
P1 O19 O22 56.3(10) . 3_576 ?
P1 O19 O21 56.5(9) . . ?
O22 O19 O21 93.0(14) 3_576 . ?
P1 O19 O20 54.8(10) . . ?
O22 O19 O20 91.3(14) 3_576 . ?
O21 O19 O20 90.5(13) . . ?
P1 O19 W2 128.1(13) . . ?
O22 O19 W2 71.8(10) 3_576 . ?
O21 O19 W2 130.7(13) . . ?
O20 O19 W2 134.9(13) . . ?
P1 O19 W1 122.6(11) . . ?
O22 O19 W1 135.9(13) 3_576 . ?
O21 O19 W1 66.3(10) . . ?
O20 O19 W1 125.5(14) . . ?
W2 O19 W1 92.1(7) . . ?
W6 O17 W4 136.5(17) 3_576 . ?
P1 O20 O19 55.9(10) . . ?
P1 O20 O22 54.6(10) . . ?
O19 O20 O22 92.3(14) . . ?
P1 O20 W4 128.4(11) . . ?
O19 O20 W4 72.5(10) . . ?
O22 O20 W4 135.3(14) . . ?
P1 O20 W6 123.7(11) . 3_576 ?
O19 O20 W6 134.4(14) . 3_576 ?
O22 O20 W6 69.1(9) . 3_576 ?
W4 O20 W6 91.7(7) . 3_576 ?
C4 S1 C3 99.1(14) . . ?
C4 S1 Ag2 119.7(8) . . ?
C3 S1 Ag2 108.1(11) . . ?
C1 S2 C2 99.9(13) 4_575 . ?
C1 S2 Ag3 117.4(8) 4_575 . ?
C2 S2 Ag3 112.6(11) . . ?
C1 S2 Ag4 115.6(9) 4_575 . ?
C2 S2 Ag4 110.7(11) . . ?
Ag3 S2 Ag4 100.98(19) . . ?
N4 N1 N3 106.7(17) . . ?
N4 N1 Ag1 119.4(13) . . ?
N3 N1 Ag1 131.7(14) . . ?
C4 N2 N6 106.7(18) . . ?
C4 N2 Ag1 128.2(16) . . ?
N6 N2 Ag1 121.3(14) . . ?
N1 N3 C1 105.1(17) . . ?
N1 N3 Ag2 117.9(14) . 4_576 ?
C1 N3 Ag2 135.1(14) . 4_576 ?
N1 N4 N5 110.5(16) . . ?
N1 N4 Ag2 125.1(14) . . ?
N5 N4 Ag2 124.4(14) . . ?
C1 N5 N4 105(2) . . ?
C1 N5 Ag3 134.7(18) . . ?
N4 N5 Ag3 119.5(14) . . ?
N8 N7 N6 108.2(19) . . ?
N8 N7 Ag3 133.6(14) . 4_475 ?
N6 N7 Ag3 114.0(13) . 4_475 ?
N2 N6 N7 109.3(18) . . ?
N2 N6 Ag4 128.1(14) . 1_455 ?
N7 N6 Ag4 121.3(15) . 1_455 ?
N5 C1 N3 113(2) . . ?
N5 C1 S2 121(2) . 4_576 ?
N3 C1 S2 126.0(18) . 4_576 ?
N7 N8 C4 104.7(18) . . ?
N7 N8 Ag4 122.3(14) . 4_475 ?
C4 N8 Ag4 130.7(15) . 4_475 ?
N2 C4 N8 111(2) . . ?
N2 C4 S1 129.2(18) . . ?
N8 C4 S1 119.7(16) . . ?

_refine_diff_density_max         3.019
_refine_diff_density_min         -4.619
_refine_diff_density_rms         0.502



####################################################################### 
# 
# 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_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 1586935'
_audit_update_record             
;
2017-11-21 deposited with the CCDC.
2018-08-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C8 H12 Ag8 Mo12 N16 O42 P S4'
_chemical_formula_sum            'C8 H12 Ag8 Mo12 N16 O42 P S4'
_chemical_formula_weight         3177.79

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/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'
'-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                   24.880(5)
_cell_length_b                   10.683(2)
_cell_length_c                   22.308(4)
_cell_angle_alpha                90
_cell_angle_beta                 106.567(4)
_cell_angle_gamma                90
_cell_volume                     5683.2(19)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    6620
_cell_measurement_theta_min      2.33
_cell_measurement_theta_max      27.638

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    3.714
_exptl_crystal_F_000             5868
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.027
_exptl_crystal_size_mid          0.024
_exptl_crystal_size_min          0.023
_exptl_absorpt_coefficient_mu    5.518
_shelx_estimated_absorpt_T_min   0.862
_shelx_estimated_absorpt_T_max   0.881
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.861
_exptl_absorpt_correction_T_max  0.881
_exptl_absorpt_process_details   'SADABS, Bruker'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            17963
_diffrn_reflns_av_unetI/netI     0.0843
_diffrn_reflns_av_R_equivalents  0.0734
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         1.708
_diffrn_reflns_theta_max         27.638
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             6580
_reflns_number_gt                4281
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXL-2016 (Sheldrick, 2016)'
_computing_structure_refinement  'SHELXL-2016 (Sheldrick, 2016)'
_computing_molecular_graphics    'SHELXL-2016 (Sheldrick, 2016)'
_computing_publication_material  'SHELXL-2016 (Sheldrick, 2016)'
_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)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6580
_refine_ls_number_parameters     411
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.1035
_refine_ls_R_factor_gt           0.0612
_refine_ls_wR_factor_ref         0.1920
_refine_ls_wR_factor_gt          0.1653
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_restrained_S_all      1.101
_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
Ag1 Ag 0.02310(4) 0.87735(9) 0.48929(5) 0.0304(3) Uani 1 1 d . . . . .
Mo1 Mo 0.06828(5) 0.36453(11) 0.13021(5) 0.0275(3) Uani 1 1 d . . . . .
P1 P 0.000000 0.3754(4) 0.250000 0.0201(9) Uani 1 2 d S T P . .
O1 O 0.0217(3) 0.2933(8) 0.2048(4) 0.0235(18) Uani 1 1 d . . . . .
N1 N 0.1921(5) 0.9503(10) 0.5956(6) 0.032(3) Uani 1 1 d . . . . .
C1 C 0.1154(5) 1.0500(11) 0.5808(6) 0.025(3) Uani 1 1 d . . . . .
S1 S 0.28128(19) 0.9949(4) 0.93322(19) 0.0481(10) Uani 1 1 d . . . . .
O1W O 0.1992(5) 0.7232(11) 0.4239(5) 0.055(3) Uani 1 1 d . U . . .
Mo2 Mo 0.04496(5) 0.59480(10) 0.37404(5) 0.0257(3) Uani 1 1 d . . . . .
O2 O 0.0490(3) 0.4583(7) 0.2884(4) 0.0233(18) Uani 1 1 d . . . . .
Ag2 Ag 0.24850(6) 0.81669(11) 0.67317(6) 0.0486(4) Uani 1 1 d . . . . .
S2 S -0.06756(15) 0.8348(3) 0.41457(18) 0.0341(8) Uani 1 1 d . . . . .
N2 N 0.1704(4) 1.0563(10) 0.6099(5) 0.031(2) Uani 1 1 d . . . . .
Mo3 Mo -0.09317(4) 0.62384(10) 0.25448(5) 0.0247(3) Uani 1 1 d . . . . .
O3 O -0.0914(4) 0.2730(8) 0.1154(4) 0.031(2) Uani 1 1 d . . . . .
Ag3 Ag 0.22126(5) 1.20157(9) 0.67192(5) 0.0356(3) Uani 1 1 d . . . . .
N3 N 0.1537(6) 0.8826(11) 0.5592(7) 0.048(3) Uani 1 1 d . U . . .
C3 C 0.2684(5) 1.0037(12) 0.8524(6) 0.026(3) Uani 1 1 d . . . . .
Mo4 Mo -0.03645(5) 0.15427(11) 0.12787(6) 0.0291(3) Uani 1 1 d . . . . .
O4 O -0.0607(4) 0.0988(8) 0.2001(5) 0.034(2) Uani 1 1 d . . . . .
N4 N 0.1020(5) 0.9444(11) 0.5494(5) 0.030(2) Uani 1 1 d . . . . .
Mo5 Mo 0.14035(4) 0.38446(10) 0.35005(5) 0.0257(3) Uani 1 1 d . . . . .
O5 O 0.0087(4) 0.2392(9) 0.0877(4) 0.034(2) Uani 1 1 d . . . . .
N5 N 0.2563(4) 1.0709(11) 0.7590(5) 0.030(2) Uani 1 1 d . . . . .
Mo6 Mo 0.09125(5) 0.12576(10) 0.23534(6) 0.0280(3) Uani 1 1 d . . . . .
O6 O 0.1106(4) 0.2316(9) 0.1707(4) 0.032(2) Uani 1 1 d . . . . .
N6 N 0.2582(4) 0.9487(10) 0.7576(5) 0.028(2) Uani 1 1 d . . . . .
O7 O 0.1001(3) 0.4845(8) 0.1878(4) 0.028(2) Uani 1 1 d . . . . .
N7 N 0.2616(5) 1.1089(9) 0.8179(5) 0.030(2) Uani 1 1 d . . . . .
O8 O 0.1338(4) 0.2631(9) 0.2901(4) 0.032(2) Uani 1 1 d . . . . .
N8 N 0.2668(4) 0.9034(10) 0.8161(5) 0.027(2) Uani 1 1 d . . . . .
O9 O 0.2035(4) 0.3600(10) 0.3997(5) 0.038(2) Uani 1 1 d . . . . .
O10 O 0.1108(4) 0.5085(8) 0.4021(4) 0.030(2) Uani 1 1 d . . . . .
O11 O 0.0514(4) 0.7024(9) 0.4309(4) 0.036(2) Uani 1 1 d . . . . .
O12 O -0.0259(3) 0.6532(8) 0.3101(4) 0.029(2) Uani 1 1 d . . . . .
O13 O -0.0796(4) 0.6894(8) 0.1844(5) 0.031(2) Uani 1 1 d . . . . .
O14 O -0.1357(4) 0.7313(8) 0.2718(5) 0.033(2) Uani 1 1 d . . . . .
O15 O 0.1528(3) 0.5206(8) 0.3048(4) 0.029(2) Uani 1 1 d . . . . .
O16 O -0.0010(3) 0.4786(8) 0.3933(4) 0.028(2) Uani 1 1 d . . . . .
O17 O 0.0951(4) 0.3917(9) 0.0707(5) 0.036(2) Uani 1 1 d . . . . .
O18 O 0.1410(4) 0.0173(9) 0.2471(5) 0.039(2) Uani 1 1 d . . . . .
O19 O 0.0344(4) 0.0593(9) 0.1732(5) 0.034(2) Uani 1 1 d . . . . .
O20 O -0.0666(4) 0.0453(10) 0.0753(5) 0.043(3) Uani 1 1 d . . . . .
C2 C -0.0926(6) 0.7017(13) 0.4480(9) 0.053(5) Uani 1 1 d . . . . .
H2A H -0.068806 0.631020 0.447832 0.079 Uiso 1 1 calc R U . . .
H2B H -0.092100 0.720473 0.490256 0.079 Uiso 1 1 calc R U . . .
H2C H -0.130221 0.682524 0.423843 0.079 Uiso 1 1 calc R U . . .
Ag4 Ag 0.18238(9) 0.70241(18) 0.52593(10) 0.0922(6) Uani 1 1 d . U . . .
C4 C 0.2144(10) 0.952(3) 0.9380(12) 0.098(8) Uani 1 1 d . U . . .
H4A H 0.215249 0.943949 0.981132 0.148 Uiso 1 1 calc R U . . .
H4B H 0.187753 1.015809 0.918628 0.148 Uiso 1 1 calc R U . . .
H4C H 0.203537 0.874058 0.916898 0.148 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.
;

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 N4 2.159(11) . ?
Ag1 S2 2.435(4) . ?
Ag1 O11 2.491(9) . ?
Ag1 Ag1 2.955(2) 5_576 ?
Mo1 O17 1.671(9) . ?
Mo1 O7 1.827(9) . ?
Mo1 O6 1.843(9) . ?
Mo1 O16 2.015(9) 2 ?
Mo1 O5 2.022(9) . ?
Mo1 O1 2.407(7) . ?
P1 O1 1.545(8) . ?
P1 O1 1.545(8) 2 ?
P1 O2 1.552(9) . ?
P1 O2 1.552(9) 2 ?
O1 Mo4 2.414(8) . ?
O1 Mo6 2.447(8) . ?
N1 N3 1.285(18) . ?
N1 N2 1.333(15) . ?
N1 Ag2 2.370(11) . ?
C1 N4 1.319(16) . ?
C1 N2 1.339(16) . ?
C1 S2 1.735(13) 5_576 ?
S1 C3 1.742(14) . ?
S1 C4 1.76(2) . ?
S1 Ag4 2.468(5) 4_556 ?
O1W Ag4 2.440(11) . ?
Mo2 O11 1.686(9) . ?
Mo2 O16 1.820(9) . ?
Mo2 O10 1.828(9) . ?
Mo2 O13 2.026(9) 2 ?
Mo2 O12 2.024(9) . ?
Mo2 O2 2.429(8) . ?
O2 Mo3 2.418(8) 2 ?
O2 Mo5 2.428(8) . ?
Ag2 N7 2.250(10) 4_546 ?
Ag2 N6 2.309(11) . ?
S2 C2 1.797(16) . ?
N2 Ag3 2.220(11) . ?
Mo3 O14 1.679(9) . ?
Mo3 O12 1.804(9) . ?
Mo3 O13 1.831(9) . ?
Mo3 O7 2.008(9) 2 ?
Mo3 O15 2.012(9) 2 ?
O3 Mo4 1.827(9) . ?
O3 Mo5 2.008(9) 2 ?
Ag3 N8 2.183(10) 4_556 ?
Ag3 N5 2.349(11) . ?
N3 N4 1.407(17) . ?
N3 Ag4 2.251(12) . ?
C3 N8 1.335(16) . ?
C3 N7 1.344(17) . ?
Mo4 O20 1.670(10) . ?
Mo4 O5 1.861(9) . ?
Mo4 O4 1.966(9) . ?
Mo4 O19 2.035(9) . ?
O4 Mo6 1.833(9) 2 ?
Mo5 O9 1.666(9) . ?
Mo5 O8 1.835(9) . ?
Mo5 O15 1.846(9) . ?
Mo5 O10 2.033(9) . ?
N5 N6 1.307(15) . ?
N5 N7 1.345(15) . ?
Mo6 O18 1.662(9) . ?
Mo6 O19 1.820(9) . ?
Mo6 O6 1.996(9) . ?
Mo6 O8 2.007(9) . ?
N6 N8 1.352(15) . ?

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
N4 Ag1 S2 171.0(3) . . ?
N4 Ag1 O11 103.4(4) . . ?
S2 Ag1 O11 81.2(2) . . ?
N4 Ag1 Ag1 86.1(3) . 5_576 ?
S2 Ag1 Ag1 87.10(9) . 5_576 ?
O11 Ag1 Ag1 158.6(2) . 5_576 ?
O17 Mo1 O7 104.2(4) . . ?
O17 Mo1 O6 102.8(4) . . ?
O7 Mo1 O6 97.1(4) . . ?
O17 Mo1 O16 100.3(4) . 2 ?
O7 Mo1 O16 85.4(4) . 2 ?
O6 Mo1 O16 155.4(4) . 2 ?
O17 Mo1 O5 98.5(4) . . ?
O7 Mo1 O5 155.1(4) . . ?
O6 Mo1 O5 87.7(4) . . ?
O16 Mo1 O5 80.5(4) 2 . ?
O17 Mo1 O1 169.6(4) . . ?
O7 Mo1 O1 86.1(3) . . ?
O6 Mo1 O1 74.8(3) . . ?
O16 Mo1 O1 81.0(3) 2 . ?
O5 Mo1 O1 71.5(3) . . ?
O1 P1 O1 110.7(6) . 2 ?
O1 P1 O2 108.5(4) . . ?
O1 P1 O2 109.3(4) 2 . ?
O1 P1 O2 109.3(4) . 2 ?
O1 P1 O2 108.5(4) 2 2 ?
O2 P1 O2 110.4(6) . 2 ?
P1 O1 Mo1 126.7(5) . . ?
P1 O1 Mo4 124.3(4) . . ?
Mo1 O1 Mo4 90.7(3) . . ?
P1 O1 Mo6 125.8(5) . . ?
Mo1 O1 Mo6 89.0(2) . . ?
Mo4 O1 Mo6 88.9(3) . . ?
N3 N1 N2 110.5(11) . . ?
N3 N1 Ag2 107.5(9) . . ?
N2 N1 Ag2 122.2(9) . . ?
N4 C1 N2 111.7(11) . . ?
N4 C1 S2 124.4(10) . 5_576 ?
N2 C1 S2 123.9(10) . 5_576 ?
C3 S1 C4 100.3(9) . . ?
C3 S1 Ag4 105.9(5) . 4_556 ?
C4 S1 Ag4 117.6(9) . 4_556 ?
O11 Mo2 O16 102.6(4) . . ?
O11 Mo2 O10 101.7(4) . . ?
O16 Mo2 O10 97.9(4) . . ?
O11 Mo2 O13 100.2(4) . 2 ?
O16 Mo2 O13 154.6(4) . 2 ?
O10 Mo2 O13 88.1(4) . 2 ?
O11 Mo2 O12 101.4(4) . . ?
O16 Mo2 O12 84.0(4) . . ?
O10 Mo2 O12 155.8(4) . . ?
O13 Mo2 O12 80.7(4) 2 . ?
O11 Mo2 O2 170.2(4) . . ?
O16 Mo2 O2 86.9(3) . . ?
O10 Mo2 O2 74.5(3) . . ?
O13 Mo2 O2 70.9(3) 2 . ?
O12 Mo2 O2 81.6(3) . . ?
P1 O2 Mo3 125.0(4) . 2 ?
P1 O2 Mo5 126.1(4) . . ?
Mo3 O2 Mo5 90.3(3) 2 . ?
P1 O2 Mo2 125.0(4) . . ?
Mo3 O2 Mo2 89.9(3) 2 . ?
Mo5 O2 Mo2 89.5(3) . . ?
N7 Ag2 N6 121.3(4) 4_546 . ?
N7 Ag2 N1 126.9(4) 4_546 . ?
N6 Ag2 N1 97.5(4) . . ?
C1 S2 C2 102.2(7) 5_576 . ?
C1 S2 Ag1 110.1(4) 5_576 . ?
C2 S2 Ag1 103.1(6) . . ?
N1 N2 C1 105.6(10) . . ?
N1 N2 Ag3 123.0(8) . . ?
C1 N2 Ag3 131.3(9) . . ?
O14 Mo3 O12 104.2(4) . . ?
O14 Mo3 O13 102.5(4) . . ?
O12 Mo3 O13 99.3(4) . . ?
O14 Mo3 O7 100.6(4) . 2 ?
O12 Mo3 O7 85.4(4) . 2 ?
O13 Mo3 O7 154.4(4) . 2 ?
O14 Mo3 O15 97.5(4) . 2 ?
O12 Mo3 O15 155.9(4) . 2 ?
O13 Mo3 O15 85.9(4) . 2 ?
O7 Mo3 O15 80.4(4) 2 2 ?
O14 Mo3 O2 168.0(4) . 2 ?
O12 Mo3 O2 87.8(3) . 2 ?
O13 Mo3 O2 74.2(3) . 2 ?
O7 Mo3 O2 81.0(3) 2 2 ?
O15 Mo3 O2 70.8(3) 2 2 ?
Mo4 O3 Mo5 149.6(5) . 2 ?
N8 Ag3 N2 143.2(4) 4_556 . ?
N8 Ag3 N5 118.7(4) 4_556 . ?
N2 Ag3 N5 96.4(4) . . ?
N1 N3 N4 108.4(11) . . ?
N1 N3 Ag4 116.2(10) . . ?
N4 N3 Ag4 135.4(11) . . ?
N8 C3 N7 110.3(11) . . ?
N8 C3 S1 123.2(11) . . ?
N7 C3 S1 126.3(10) . . ?
O20 Mo4 O3 102.1(5) . . ?
O20 Mo4 O5 102.3(5) . . ?
O3 Mo4 O5 96.7(4) . . ?
O20 Mo4 O4 100.6(5) . . ?
O3 Mo4 O4 86.7(4) . . ?
O5 Mo4 O4 155.5(4) . . ?
O20 Mo4 O19 98.8(5) . . ?
O3 Mo4 O19 157.9(4) . . ?
O5 Mo4 O19 85.8(4) . . ?
O4 Mo4 O19 82.4(4) . . ?
O20 Mo4 O1 170.3(4) . . ?
O3 Mo4 O1 87.2(4) . . ?
O5 Mo4 O1 73.8(3) . . ?
O4 Mo4 O1 82.2(3) . . ?
O19 Mo4 O1 72.2(3) . . ?
Mo6 O4 Mo4 152.8(5) 2 . ?
C1 N4 N3 103.8(11) . . ?
C1 N4 Ag1 131.3(9) . . ?
N3 N4 Ag1 124.7(9) . . ?
O9 Mo5 O8 104.2(5) . . ?
O9 Mo5 O15 102.3(4) . . ?
O8 Mo5 O15 98.8(4) . . ?
O9 Mo5 O3 102.3(4) . 2 ?
O8 Mo5 O3 85.6(4) . 2 ?
O15 Mo5 O3 153.1(4) . 2 ?
O9 Mo5 O10 98.6(4) . . ?
O8 Mo5 O10 154.8(4) . . ?
O15 Mo5 O10 86.7(4) . . ?
O3 Mo5 O10 79.0(4) 2 . ?
O9 Mo5 O2 168.9(4) . . ?
O8 Mo5 O2 86.7(4) . . ?
O15 Mo5 O2 73.1(3) . . ?
O3 Mo5 O2 80.7(3) 2 . ?
O10 Mo5 O2 71.3(3) . . ?
Mo4 O5 Mo1 124.0(5) . . ?
N6 N5 N7 109.4(10) . . ?
N6 N5 Ag3 125.5(8) . . ?
N7 N5 Ag3 122.6(8) . . ?
O18 Mo6 O19 103.4(5) . . ?
O18 Mo6 O4 103.0(5) . 2 ?
O19 Mo6 O4 97.5(4) . 2 ?
O18 Mo6 O6 100.8(4) . . ?
O19 Mo6 O6 88.1(4) . . ?
O4 Mo6 O6 153.6(4) 2 . ?
O18 Mo6 O8 100.0(4) . . ?
O19 Mo6 O8 155.5(4) . . ?
O4 Mo6 O8 84.3(4) 2 . ?
O6 Mo6 O8 80.3(4) . . ?
O18 Mo6 O1 171.9(4) . . ?
O19 Mo6 O1 74.9(4) . . ?
O4 Mo6 O1 85.1(3) 2 . ?
O6 Mo6 O1 71.4(3) . . ?
O8 Mo6 O1 81.0(3) . . ?
Mo1 O6 Mo6 124.7(4) . . ?
N5 N6 N8 109.3(10) . . ?
N5 N6 Ag2 129.4(8) . . ?
N8 N6 Ag2 121.4(8) . . ?
Mo1 O7 Mo3 150.7(5) . 2 ?
C3 N7 N5 105.5(10) . . ?
C3 N7 Ag2 140.7(9) . 4_556 ?
N5 N7 Ag2 113.7(8) . 4_556 ?
Mo5 O8 Mo6 151.9(5) . . ?
C3 N8 N6 105.5(10) . . ?
C3 N8 Ag3 137.7(10) . 4_546 ?
N6 N8 Ag3 116.7(8) . 4_546 ?
Mo2 O10 Mo5 124.6(5) . . ?
Mo2 O11 Ag1 157.6(5) . . ?
Mo3 O12 Mo2 151.9(5) . . ?
Mo3 O13 Mo2 125.1(5) . 2 ?
Mo5 O15 Mo3 125.8(4) . 2 ?
Mo2 O16 Mo1 152.0(5) . 2 ?
Mo6 O19 Mo4 124.0(5) . . ?
N3 Ag4 O1W 112.6(5) . . ?
N3 Ag4 S1 139.8(4) . 4_546 ?
O1W Ag4 S1 106.5(3) . 4_546 ?

_refine_diff_density_max         2.176
_refine_diff_density_min         -3.816
_refine_diff_density_rms         0.354



