# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

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

data_compound-1
_database_code_depnum_ccdc_archive 'CCDC 989452'
_audit_update_record             
;
2015-07-29 deposited with the CCDC.
2015-08-12 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            'C54 H43 Ag6 N16 O44 P S4 W12'
_chemical_formula_weight         4632.67


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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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'

_cell_length_a                   13.7230(6)
_cell_length_b                   13.9629(6)
_cell_length_c                   14.3365(6)
_cell_angle_alpha                61.8910(10)
_cell_angle_beta                 82.9930(10)
_cell_angle_gamma                63.8760(10)
_cell_volume                     2162.81(16)
_cell_formula_units_Z            1
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    5202
_cell_measurement_theta_min      2.19
_cell_measurement_theta_max      28.27

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    3.554
_exptl_crystal_F_000             2077
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.140
_exptl_absorpt_coefficient_mu    17.417
_shelx_estimated_absorpt_T_min   0.167
_shelx_estimated_absorpt_T_max   0.194
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.077
_exptl_absorpt_correction_T_max  0.087
_exptl_absorpt_process_details   'ABSCOR by T.Higashi    8  March, 1995'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            16186
_diffrn_reflns_av_unetI/netI     0.0539
_diffrn_reflns_av_R_equivalents  0.0256
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.620
_diffrn_reflns_theta_max         28.322
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             10795
_reflns_number_gt                8599
_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 XSCANS'
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_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          
;
During the new refinements of compound 1, the restraint command 'ISOR'
 was used to refine the non-H atoms with ADP problems. These atoms are
 as follows: O13, O14, O15, O18, O20 and C7. 
 The soft restraints of SIMU were applied on the disordered atoms to keep
 their geometries and atomic displacement parameters reasonable.
Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0385P)²+36.8253P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10795
_refine_ls_number_parameters     637
_refine_ls_number_restraints     486
_refine_ls_R_factor_all          0.0666
_refine_ls_R_factor_gt           0.0493
_refine_ls_wR_factor_ref         0.1131
_refine_ls_wR_factor_gt          0.1064
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_restrained_S_all      1.068
_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
W1 W 0.32445(4) -0.23763(4) 0.52709(4) 0.02636(12) Uani 1 1 d . . . . .
P1 P 0.5000 -0.5000 0.5000 0.0087(6) Uani 1 2 d S . P . .
O1' O 0.4785(12) -0.3681(11) 0.4703(11) 0.015(3) Uani 0.5 1 d . . P . .
O1 O 0.3992(11) -0.4458(12) 0.5476(10) 0.013(3) Uani 0.5 1 d . . P . .
O1W O 0.510(2) -0.637(2) 0.175(2) 0.205(13) Uani 1 1 d . . . . .
H1WA H 0.5353 -0.6542 0.1258 0.245 Uiso 1 1 d R U . . .
H1WB H 0.5409 -0.5980 0.1804 0.245 Uiso 1 1 d R U . . .
Ag1 Ag 0.78546(7) -0.25534(9) -0.09434(9) 0.0355(2) Uani 1 1 d . . . . .
S1 S 1.0021(4) -0.1481(4) -0.4008(4) 0.0635(13) Uani 1 1 d . . . . .
N1 N 0.6140(7) -0.1836(8) -0.1082(7) 0.0219(19) Uani 1 1 d . . . . .
C1 C 0.4367(9) -0.0817(11) -0.1613(9) 0.0236(19) Uani 1 1 d . U . . .
S2 S 0.1091(3) 0.3202(3) -0.3709(2) 0.0340(7) Uani 1 1 d . . . . .
W2 W 0.34225(4) -0.38063(4) 0.25747(3) 0.02025(10) Uani 1 1 d . . . . .
Ag2 Ag 0.33267(8) 0.18704(9) -0.08267(7) 0.0290(2) Uani 1 1 d . . . . .
O2' O 0.4895(11) -0.4278(11) 0.3832(10) 0.011(3) Uani 0.5 1 d . . P . .
O2 O 0.3996(11) -0.4886(12) 0.4481(11) 0.014(3) Uani 0.5 1 d . . P . .
O2W O 1.3350(17) -0.398(3) -0.053(3) 0.234(17) Uani 1 1 d . . . . .
H2WA H 1.2785 -0.3641 -0.0274 0.281 Uiso 1 1 d R U . . .
H2WB H 1.3233 -0.4428 -0.0694 0.281 Uiso 1 1 d R U . . .
N2 N 0.4531(7) -0.1004(9) -0.0616(7) 0.0208(19) Uani 1 1 d . . . . .
C2 C 0.3411(10) -0.0230(11) -0.2316(9) 0.0277(19) Uani 1 1 d . U . . .
H2A H 0.2721 0.0111 -0.2122 0.033 Uiso 1 1 calc R U . . .
Ag3 Ag 0.31789(7) -0.04354(8) 0.02386(7) 0.0270(2) Uani 1 1 d . . . . .
W3 W 0.62868(4) -0.47012(4) 0.26373(3) 0.02120(10) Uani 1 1 d . . . . .
O3 O 0.3401(7) -0.7547(7) 0.4560(6) 0.0282(18) Uani 1 1 d . . . . .
N3 N 0.8945(9) -0.1974(9) -0.2413(8) 0.034(2) Uani 1 1 d . . . . .
C3 C 0.3549(10) -0.0190(12) -0.3282(10) 0.032(2) Uani 1 1 d . U . . .
H3A H 0.2935 0.0190 -0.3760 0.039 Uiso 1 1 calc R U . . .
W4 W 0.39016(4) -0.67184(5) 0.46835(4) 0.02810(12) Uani 1 1 d . . . . .
O4 O 0.0795(7) -0.3645(8) 0.4907(7) 0.035(2) Uani 1 1 d . . . . .
C4 C 0.4586(11) -0.0699(12) -0.3593(10) 0.034(2) Uani 1 1 d . U . . .
H4A H 0.4637 -0.0634 -0.4272 0.041 Uiso 1 1 calc R U . . .
N4 N 1.1287(8) -0.4010(10) -0.0319(11) 0.040(3) Uani 1 1 d . . . . .
W5 W 0.21454(4) -0.40835(4) 0.49390(4) 0.02476(11) Uani 1 1 d . . . . .
O5 O 0.2662(8) -0.3213(9) 0.1449(7) 0.043(2) Uani 1 1 d . . . . .
N5 N 0.9533(7) -0.3488(8) -0.0262(8) 0.024(2) Uani 1 1 d . . . . .
C5 C 0.5539(10) -0.1299(12) -0.2912(9) 0.033(2) Uani 1 1 d . U . . .
H5A H 0.6226 -0.1652 -0.3106 0.039 Uiso 1 1 calc R U . . .
N6 N -0.0268(7) 0.1793(8) -0.0476(7) 0.0209(19) Uani 1 1 d . . . . .
W6 W 0.45223(4) -0.20904(4) 0.29190(4) 0.02679(12) Uani 1 1 d . . . . .
O6 O 0.6903(8) -0.4549(10) 0.1533(8) 0.043(2) Uani 1 1 d . . . . .
C6 C 0.5394(9) -0.1333(10) -0.1929(9) 0.0234(19) Uani 1 1 d . U . . .
N7 N 0.1468(7) 0.0630(8) 0.0221(7) 0.0197(18) Uani 1 1 d . . . . .
O7 O 0.4310(8) -0.0758(7) 0.1911(8) 0.041(2) Uani 1 1 d . . . . .
C7 C 0.5595(8) -0.1593(9) -0.0339(8) 0.0146(17) Uani 1 1 d . U . . .
N8 N 0.2067(7) 0.2213(8) -0.1856(7) 0.0184(18) Uani 1 1 d . . . . .
O8 O 0.2418(8) -0.1151(7) 0.5402(7) 0.037(2) Uani 1 1 d . . . . .
C8 C 0.8825(13) -0.1351(13) -0.3435(12) 0.046(3) Uani 1 1 d . U . . .
H8A H 0.8143 -0.0868 -0.3831 0.056 Uiso 1 1 calc R U . . .
O9 O 0.5707(7) -0.3114(8) 0.2459(9) 0.039(2) Uani 1 1 d . . . . .
C9 C 1.0727(12) -0.2435(13) -0.2779(12) 0.043(3) Uani 1 1 d . U . . .
H9A H 1.1483 -0.2791 -0.2640 0.051 Uiso 1 1 calc R U . . .
O10 O 0.2233(10) -0.2751(8) 0.4883(8) 0.051(3) Uani 1 1 d . . . . .
C10 C 1.0024(11) -0.2600(11) -0.2026(11) 0.034(2) Uani 1 1 d . U . . .
O11 O 0.2579(10) -0.4899(8) 0.6415(8) 0.055(3) Uani 1 1 d . . . . .
C11 C 1.0295(10) -0.3360(11) -0.0876(11) 0.031(2) Uani 1 1 d . U . . .
O12 O 0.3398(10) -0.3649(8) 0.6654(8) 0.056(3) Uani 1 1 d . . . . .
C12 C 1.0038(11) -0.4279(11) 0.0782(11) 0.032(2) Uani 1 1 d . U . . .
O13 O 0.3493(8) -0.1714(12) 0.3824(8) 0.059(3) Uani 1 1 d . U . . .
C13 C 0.9621(12) -0.4714(11) 0.1722(11) 0.037(2) Uani 1 1 d . U . . .
H13A H 0.8878 -0.4501 0.1750 0.044 Uiso 1 1 calc R U . . .
O14 O 0.3578(7) -0.2446(8) 0.2408(9) 0.039(2) Uani 1 1 d . U . . .
C14 C 1.0348(13) -0.5481(13) 0.2628(13) 0.047(3) Uani 1 1 d . U . . .
H14A H 1.0097 -0.5804 0.3283 0.056 Uiso 1 1 calc R U . . .
O15 O 0.3626(9) -0.5431(8) 0.3285(9) 0.054(3) Uani 1 1 d . U . . .
C15 C 1.1423(13) -0.5769(14) 0.2574(13) 0.052(3) Uani 1 1 d . U . . .
H15A H 1.1882 -0.6273 0.3208 0.063 Uiso 1 1 calc R U . . .
O16 O 0.4862(7) -0.4362(8) 0.2212(9) 0.043(3) Uani 1 1 d . . . . .
C16 C 1.1875(13) -0.5376(13) 0.1666(12) 0.045(3) Uani 1 1 d . U . . .
H16A H 1.2624 -0.5614 0.1665 0.054 Uiso 1 1 calc R U . . .
O17 O 0.4635(8) -0.2594(13) 0.5595(7) 0.066(4) Uani 1 1 d . . . . .
C17 C 1.1165(12) -0.4589(12) 0.0720(12) 0.039(2) Uani 1 1 d . U . . .
C18 C -0.0285(9) 0.1087(10) 0.0611(9) 0.0224(18) Uani 1 1 d . U . . .
O18 O 0.2330(11) -0.3487(8) 0.3466(9) 0.060(3) Uani 1 1 d . U . . .
C19 C 0.0790(9) 0.0386(10) 0.1023(9) 0.0223(18) Uani 1 1 d . U . . .
O19 O 0.2686(11) -0.5633(8) 0.5009(8) 0.063(4) Uani 1 1 d . . . . .
C20 C 0.1081(10) -0.0407(10) 0.2132(9) 0.026(2) Uani 1 1 d . U . . .
H20A H 0.1804 -0.0896 0.2430 0.031 Uiso 1 1 calc R U . . .
O20 O 0.5585(9) -0.2392(12) 0.3859(8) 0.058(3) Uani 1 1 d . U . . .
C21 C 0.0217(10) -0.0401(11) 0.2737(10) 0.028(2) Uani 1 1 d . U . . .
H21A H 0.0367 -0.0904 0.3467 0.034 Uiso 1 1 calc R U . . .
C22 C -0.0862(10) 0.0321(11) 0.2304(10) 0.032(2) Uani 1 1 d . U . . .
H22A H -0.1411 0.0305 0.2753 0.038 Uiso 1 1 calc R U . . .
C23 C -0.1143(10) 0.1063(11) 0.1224(10) 0.029(2) Uani 1 1 d . U . . .
H23A H -0.1866 0.1520 0.0925 0.035 Uiso 1 1 calc R U . . .
C24 C 0.0792(9) 0.1491(10) -0.0662(8) 0.0194(17) Uani 1 1 d . U . . .
C25 C 0.1091(9) 0.2089(10) -0.1713(9) 0.0210(18) Uani 1 1 d . U . . .
C26 C 0.0479(10) 0.2563(10) -0.2635(9) 0.025(2) Uani 1 1 d . U . . .
H26A H -0.0182 0.2542 -0.2676 0.030 Uiso 1 1 calc R U . . .
C27 C 0.2127(10) 0.2800(10) -0.2885(9) 0.026(2) Uani 1 1 d . U . . .
H27A H 0.2713 0.2982 -0.3139 0.031 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
W1 O8 1.671(8) . ?
W1 O17 1.876(10) . ?
W1 O13 1.889(10) . ?
W1 O12 1.894(10) . ?
W1 O10 1.901(9) . ?
W1 O1' 2.458(13) . ?
W1 O1 2.496(13) . ?
P1 O2' 1.477(12) 2_646 ?
P1 O2' 1.477(12) . ?
P1 O1 1.512(14) 2_646 ?
P1 O1 1.512(14) . ?
P1 O2 1.556(13) 2_646 ?
P1 O2 1.556(13) . ?
P1 O1' 1.572(12) 2_646 ?
P1 O1' 1.572(12) . ?
O1' O2' 1.760(18) . ?
O1' O1 1.789(19) . ?
O1' W6 2.402(14) . ?
O1' W4 2.463(14) 2_646 ?
O1 O2' 1.667(18) 2_646 ?
O1 O2 1.786(18) . ?
O1 W3 2.448(13) 2_646 ?
O1 W5 2.493(13) . ?
Ag1 N1 2.105(9) . ?
Ag1 N5 2.160(9) . ?
Ag1 N3 2.454(11) . ?
Ag1 Ag2 3.1452(14) 2_655 ?
S1 C9 1.699(16) . ?
S1 C8 1.718(17) . ?
N1 C7 1.317(13) . ?
N1 C6 1.372(14) . ?
C1 N2 1.355(14) . ?
C1 C6 1.403(15) . ?
C1 C2 1.416(16) . ?
S2 C27 1.678(12) . ?
S2 C26 1.710(12) . ?
W2 O5 1.664(8) . ?
W2 O16 1.886(9) . ?
W2 O18 1.887(10) . ?
W2 O15 1.896(9) . ?
W2 O14 1.906(8) . ?
W2 O2 2.441(13) . ?
W2 O2' 2.523(13) . ?
Ag2 N8 2.150(9) . ?
Ag2 C7 2.149(9) 2_655 ?
Ag2 Ag3 2.9334(14) . ?
Ag2 Ag1 3.1452(14) 2_655 ?
O2' O1 1.667(18) 2_646 ?
O2' O2 1.734(19) . ?
O2' W3 2.468(13) . ?
O2' W6 2.515(12) . ?
O2 W5 2.433(13) . ?
O2 W4 2.496(13) . ?
N2 C7 1.320(13) . ?
N2 Ag3 2.153(9) . ?
C2 C3 1.353(16) . ?
Ag3 N7 2.152(9) . ?
W3 O6 1.668(9) . ?
W3 O12 1.885(9) 2_646 ?
W3 O9 1.890(8) . ?
W3 O16 1.903(9) . ?
W3 O11 1.901(9) 2_646 ?
W3 O1 2.448(13) 2_646 ?
O3 W4 1.663(8) . ?
N3 C8 1.290(17) . ?
N3 C10 1.366(17) . ?
C3 C4 1.409(18) . ?
W4 O20 1.883(9) 2_646 ?
W4 O19 1.884(10) . ?
W4 O17 1.893(10) 2_646 ?
W4 O15 1.893(10) . ?
W4 O1' 2.464(14) 2_646 ?
O4 W5 1.675(8) . ?
C4 C5 1.393(17) . ?
N4 C11 1.345(16) . ?
N4 C17 1.352(19) . ?
W5 O10 1.880(9) . ?
W5 O11 1.889(9) . ?
W5 O18 1.901(10) . ?
W5 O19 1.908(9) . ?
N5 C11 1.300(16) . ?
N5 C12 1.401(16) . ?
C5 C6 1.379(16) . ?
N6 C24 1.355(13) . ?
N6 C18 1.402(14) . ?
W6 O7 1.651(8) . ?
W6 O13 1.870(10) . ?
W6 O20 1.877(10) . ?
W6 O14 1.897(8) . ?
W6 O9 1.924(8) . ?
N7 C24 1.333(14) . ?
N7 C19 1.397(14) . ?
C7 Ag2 2.149(9) 2_655 ?
N8 C27 1.320(14) . ?
N8 C25 1.404(13) . ?
C9 C10 1.363(19) . ?
C10 C11 1.462(19) . ?
O11 W3 1.901(9) 2_646 ?
O12 W3 1.885(9) 2_646 ?
C12 C13 1.364(19) . ?
C12 C17 1.414(19) . ?
C13 C14 1.376(19) . ?
C14 C15 1.35(2) . ?
C15 C16 1.35(2) . ?
C16 C17 1.40(2) . ?
O17 W4 1.893(10) 2_646 ?
C18 C19 1.371(15) . ?
C18 C23 1.383(16) . ?
C19 C20 1.422(16) . ?
C20 C21 1.379(16) . ?
O20 W4 1.883(9) 2_646 ?
C21 C22 1.384(17) . ?
C22 C23 1.379(17) . ?
C24 C25 1.450(15) . ?
C25 C26 1.359(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
O8 W1 O17 102.5(6) . . ?
O8 W1 O13 102.7(5) . . ?
O17 W1 O13 87.2(4) . . ?
O8 W1 O12 102.6(5) . . ?
O17 W1 O12 87.7(5) . . ?
O13 W1 O12 154.7(6) . . ?
O8 W1 O10 102.0(5) . . ?
O17 W1 O10 155.5(6) . . ?
O13 W1 O10 87.6(5) . . ?
O12 W1 O10 86.9(4) . . ?
O8 W1 O1' 158.6(5) . . ?
O17 W1 O1' 63.7(5) . . ?
O13 W1 O1' 62.2(5) . . ?
O12 W1 O1' 93.5(5) . . ?
O10 W1 O1' 92.8(5) . . ?
O8 W1 O1 159.1(5) . . ?
O17 W1 O1 91.9(6) . . ?
O13 W1 O1 93.0(5) . . ?
O12 W1 O1 62.5(5) . . ?
O10 W1 O1 64.5(4) . . ?
O1' W1 O1 42.3(4) . . ?
O2' P1 O2' 180.0 2_646 . ?
O2' P1 O1 112.2(7) 2_646 2_646 ?
O2' P1 O1 67.8(7) . 2_646 ?
O2' P1 O1 67.8(7) 2_646 . ?
O2' P1 O1 112.2(7) . . ?
O1 P1 O1 180.0 2_646 . ?
O2' P1 O2 69.7(7) 2_646 2_646 ?
O2' P1 O2 110.3(7) . 2_646 ?
O1 P1 O2 71.2(7) 2_646 2_646 ?
O1 P1 O2 108.8(7) . 2_646 ?
O2' P1 O2 110.3(7) 2_646 . ?
O2' P1 O2 69.7(7) . . ?
O1 P1 O2 108.8(7) 2_646 . ?
O1 P1 O2 71.2(7) . . ?
O2 P1 O2 180.0 2_646 . ?
O2' P1 O1' 70.4(7) 2_646 2_646 ?
O2' P1 O1' 109.6(7) . 2_646 ?
O1 P1 O1' 70.9(7) 2_646 2_646 ?
O1 P1 O1' 109.1(7) . 2_646 ?
O2 P1 O1' 106.6(7) 2_646 2_646 ?
O2 P1 O1' 73.4(7) . 2_646 ?
O2' P1 O1' 109.6(7) 2_646 . ?
O2' P1 O1' 70.4(7) . . ?
O1 P1 O1' 109.1(7) 2_646 . ?
O1 P1 O1' 70.9(7) . . ?
O2 P1 O1' 73.4(7) 2_646 . ?
O2 P1 O1' 106.6(7) . . ?
O1' P1 O1' 180.0 2_646 . ?
P1 O1' O2' 52.3(5) . . ?
P1 O1' O1 53.0(6) . . ?
O2' O1' O1 88.7(8) . . ?
P1 O1' W6 124.7(7) . . ?
O2' O1' W6 72.5(6) . . ?
O1 O1' W6 134.0(8) . . ?
P1 O1' W1 123.0(7) . . ?
O2' O1' W1 134.1(9) . . ?
O1 O1' W1 70.0(6) . . ?
W6 O1' W1 93.4(5) . . ?
P1 O1' W4 121.7(7) . 2_646 ?
O2' O1' W4 131.0(8) . 2_646 ?
O1 O1' W4 128.6(8) . 2_646 ?
W6 O1' W4 93.3(5) . 2_646 ?
W1 O1' W4 92.2(4) . 2_646 ?
P1 O1 O2' 55.1(6) . 2_646 ?
P1 O1 O2 55.6(6) . . ?
O2' O1 O2 92.2(9) 2_646 . ?
P1 O1 O1' 56.1(6) . . ?
O2' O1 O1' 92.2(9) 2_646 . ?
O2 O1 O1' 89.1(8) . . ?
P1 O1 W3 125.9(7) . 2_646 ?
O2' O1 W3 70.8(6) 2_646 2_646 ?
O2 O1 W3 132.7(8) . 2_646 ?
O1' O1 W3 133.7(8) . 2_646 ?
P1 O1 W5 122.5(7) . . ?
O2' O1 W5 132.4(8) 2_646 . ?
O2 O1 W5 67.0(6) . . ?
O1' O1 W5 127.6(8) . . ?
W3 O1 W5 92.0(5) 2_646 . ?
P1 O1 W1 123.8(7) . . ?
O2' O1 W1 132.5(8) 2_646 . ?
O2 O1 W1 127.9(8) . . ?
O1' O1 W1 67.7(6) . . ?
W3 O1 W1 92.2(4) 2_646 . ?
W5 O1 W1 90.7(4) . . ?
N1 Ag1 N5 161.4(4) . . ?
N1 Ag1 N3 125.1(4) . . ?
N5 Ag1 N3 73.0(4) . . ?
N1 Ag1 Ag2 63.3(3) . 2_655 ?
N5 Ag1 Ag2 100.2(3) . 2_655 ?
N3 Ag1 Ag2 141.6(3) . 2_655 ?
C9 S1 C8 89.3(7) . . ?
C7 N1 C6 107.3(9) . . ?
C7 N1 Ag1 120.1(7) . . ?
C6 N1 Ag1 131.4(7) . . ?
N2 C1 C6 107.6(10) . . ?
N2 C1 C2 132.5(10) . . ?
C6 C1 C2 119.9(10) . . ?
C27 S2 C26 89.6(6) . . ?
O5 W2 O16 103.4(5) . . ?
O5 W2 O18 100.8(6) . . ?
O16 W2 O18 155.8(5) . . ?
O5 W2 O15 103.4(5) . . ?
O16 W2 O15 88.0(4) . . ?
O18 W2 O15 87.9(4) . . ?
O5 W2 O14 101.1(5) . . ?
O16 W2 O14 86.8(4) . . ?
O18 W2 O14 87.1(4) . . ?
O15 W2 O14 155.5(5) . . ?
O5 W2 O2 158.9(5) . . ?
O16 W2 O2 93.7(5) . . ?
O18 W2 O2 63.2(5) . . ?
O15 W2 O2 64.4(5) . . ?
O14 W2 O2 92.1(5) . . ?
O5 W2 O2' 160.1(5) . . ?
O16 W2 O2' 63.7(4) . . ?
O18 W2 O2' 92.6(5) . . ?
O15 W2 O2' 91.6(5) . . ?
O14 W2 O2' 64.7(4) . . ?
O2 W2 O2' 40.8(4) . . ?
N8 Ag2 C7 171.9(4) . 2_655 ?
N8 Ag2 Ag3 78.5(2) . . ?
C7 Ag2 Ag3 100.4(3) 2_655 . ?
N8 Ag2 Ag1 106.2(2) . 2_655 ?
C7 Ag2 Ag1 65.7(3) 2_655 2_655 ?
Ag3 Ag2 Ag1 91.12(4) . 2_655 ?
P1 O2' O1 57.1(6) . 2_646 ?
P1 O2' O2 57.3(6) . . ?
O1 O2' O2 94.4(9) 2_646 . ?
P1 O2' O1' 57.3(6) . . ?
O1 O2' O1' 94.3(9) 2_646 . ?
O2 O2' O1' 91.8(9) . . ?
P1 O2' W3 126.6(7) . . ?
O1 O2' W3 69.5(6) 2_646 . ?
O2 O2' W3 133.4(8) . . ?
O1' O2' W3 131.5(8) . . ?
P1 O2' W6 123.0(7) . . ?
O1 O2' W6 132.1(8) 2_646 . ?
O2 O2' W6 127.4(8) . . ?
O1' O2' W6 65.6(6) . . ?
W3 O2' W6 91.3(4) . . ?
P1 O2' W2 124.3(7) . . ?
O1 O2' W2 131.7(8) 2_646 . ?
O2 O2' W2 67.0(6) . . ?
O1' O2' W2 128.7(8) . . ?
W3 O2' W2 91.0(4) . . ?
W6 O2' W2 90.2(4) . . ?
P1 O2 O2' 53.0(6) . . ?
P1 O2 O1 53.3(6) . . ?
O2' O2 O1 89.7(9) . . ?
P1 O2 W5 123.8(7) . . ?
O2' O2 W5 134.9(8) . . ?
O1 O2 W5 70.6(6) . . ?
P1 O2 W2 125.1(7) . . ?
O2' O2 W2 72.1(6) . . ?
O1 O2 W2 135.2(8) . . ?
W5 O2 W2 93.6(5) . . ?
P1 O2 W4 120.6(7) . . ?
O2' O2 W4 129.4(8) . . ?
O1 O2 W4 128.9(8) . . ?
W5 O2 W4 92.7(4) . . ?
W2 O2 W4 92.2(4) . . ?
C7 N2 C1 107.0(9) . . ?
C7 N2 Ag3 131.7(7) . . ?
C1 N2 Ag3 121.2(7) . . ?
C3 C2 C1 116.9(11) . . ?
N2 Ag3 N7 149.0(3) . . ?
N2 Ag3 Ag2 84.6(3) . . ?
N7 Ag3 Ag2 85.6(2) . . ?
O6 W3 O12 103.0(5) . 2_646 ?
O6 W3 O9 100.9(5) . . ?
O12 W3 O9 156.0(5) 2_646 . ?
O6 W3 O16 102.6(5) . . ?
O12 W3 O16 87.9(4) 2_646 . ?
O9 W3 O16 88.2(4) . . ?
O6 W3 O11 101.3(5) . 2_646 ?
O12 W3 O11 87.2(4) 2_646 2_646 ?
O9 W3 O11 86.9(4) . 2_646 ?
O16 W3 O11 156.0(5) . 2_646 ?
O6 W3 O1 159.7(5) . 2_646 ?
O12 W3 O1 63.6(5) 2_646 2_646 ?
O9 W3 O1 92.9(5) . 2_646 ?
O16 W3 O1 92.5(5) . 2_646 ?
O11 W3 O1 64.4(5) 2_646 2_646 ?
O6 W3 O2' 160.6(5) . . ?
O12 W3 O2' 91.5(5) 2_646 . ?
O9 W3 O2' 65.5(4) . . ?
O16 W3 O2' 64.7(4) . . ?
O11 W3 O2' 92.0(5) 2_646 . ?
O1 W3 O2' 39.6(4) 2_646 . ?
C8 N3 C10 111.0(12) . . ?
C8 N3 Ag1 139.6(10) . . ?
C10 N3 Ag1 109.0(8) . . ?
C2 C3 C4 122.5(12) . . ?
O3 W4 O20 101.5(5) . 2_646 ?
O3 W4 O19 102.6(5) . . ?
O20 W4 O19 87.9(5) 2_646 . ?
O3 W4 O17 101.8(5) . 2_646 ?
O20 W4 O17 87.7(4) 2_646 2_646 ?
O19 W4 O17 155.6(6) . 2_646 ?
O3 W4 O15 102.8(5) . . ?
O20 W4 O15 155.7(5) 2_646 . ?
O19 W4 O15 86.8(4) . . ?
O17 W4 O15 87.4(5) 2_646 . ?
O3 W4 O1' 156.8(4) . 2_646 ?
O20 W4 O1' 62.1(5) 2_646 2_646 ?
O19 W4 O1' 93.5(5) . 2_646 ?
O17 W4 O1' 63.4(5) 2_646 2_646 ?
O15 W4 O1' 94.6(5) . 2_646 ?
O3 W4 O2 158.9(4) . . ?
O20 W4 O2 93.4(5) 2_646 . ?
O19 W4 O2 62.7(5) . . ?
O17 W4 O2 93.6(5) 2_646 . ?
O15 W4 O2 63.2(5) . . ?
O1' W4 O2 44.3(4) 2_646 . ?
C5 C4 C3 121.8(12) . . ?
C11 N4 C17 108.1(11) . . ?
O4 W5 O10 101.2(5) . . ?
O4 W5 O11 101.9(5) . . ?
O10 W5 O11 87.8(4) . . ?
O4 W5 O18 101.3(5) . . ?
O10 W5 O18 88.6(4) . . ?
O11 W5 O18 156.7(6) . . ?
O4 W5 O19 102.5(5) . . ?
O10 W5 O19 156.3(6) . . ?
O11 W5 O19 87.4(4) . . ?
O18 W5 O19 86.7(4) . . ?
O4 W5 O2 158.6(5) . . ?
O10 W5 O2 93.4(5) . . ?
O11 W5 O2 94.1(5) . . ?
O18 W5 O2 63.2(5) . . ?
O19 W5 O2 63.9(5) . . ?
O4 W5 O1 158.9(5) . . ?
O10 W5 O1 64.8(4) . . ?
O11 W5 O1 63.5(5) . . ?
O18 W5 O1 94.3(5) . . ?
O19 W5 O1 92.5(5) . . ?
O2 W5 O1 42.5(4) . . ?
C11 N5 C12 107.3(11) . . ?
C11 N5 Ag1 119.9(8) . . ?
C12 N5 Ag1 132.8(8) . . ?
C6 C5 C4 115.4(11) . . ?
C24 N6 C18 107.4(9) . . ?
O7 W6 O13 103.6(5) . . ?
O7 W6 O20 103.9(5) . . ?
O13 W6 O20 87.7(4) . . ?
O7 W6 O14 99.8(5) . . ?
O13 W6 O14 89.0(4) . . ?
O20 W6 O14 156.2(5) . . ?
O7 W6 O9 99.6(5) . . ?
O13 W6 O9 156.7(5) . . ?
O20 W6 O9 86.2(4) . . ?
O14 W6 O9 87.6(4) . . ?
O7 W6 O1' 161.2(5) . . ?
O13 W6 O1' 63.6(5) . . ?
O20 W6 O1' 63.5(5) . . ?
O14 W6 O1' 94.0(5) . . ?
O9 W6 O1' 93.7(4) . . ?
O7 W6 O2' 157.0(5) . . ?
O13 W6 O2' 93.7(5) . . ?
O20 W6 O2' 91.7(5) . . ?
O14 W6 O2' 65.0(4) . . ?
O9 W6 O2' 64.1(4) . . ?
O1' W6 O2' 41.9(4) . . ?
N1 C6 C5 130.6(10) . . ?
N1 C6 C1 105.9(10) . . ?
C5 C6 C1 123.5(11) . . ?
C24 N7 C19 105.1(9) . . ?
C24 N7 Ag3 124.2(7) . . ?
C19 N7 Ag3 128.6(7) . . ?
N1 C7 N2 112.1(9) . . ?
N1 C7 Ag2 110.8(7) . 2_655 ?
N2 C7 Ag2 135.0(7) . 2_655 ?
C27 N8 C25 109.0(9) . . ?
C27 N8 Ag2 115.3(7) . . ?
C25 N8 Ag2 135.2(7) . . ?
N3 C8 S1 114.8(12) . . ?
W3 O9 W6 138.1(5) . . ?
C10 C9 S1 110.0(11) . . ?
W5 O10 W1 139.6(6) . . ?
C9 C10 N3 114.9(13) . . ?
C9 C10 C11 127.5(13) . . ?
N3 C10 C11 117.6(12) . . ?
W5 O11 W3 139.3(7) . 2_646 ?
N5 C11 N4 111.8(12) . . ?
N5 C11 C10 120.3(12) . . ?
N4 C11 C10 127.9(13) . . ?
W3 O12 W1 141.0(7) 2_646 . ?
C13 C12 N5 131.5(12) . . ?
C13 C12 C17 122.4(13) . . ?
N5 C12 C17 106.1(12) . . ?
W6 O13 W1 140.3(7) . . ?
C12 C13 C14 117.1(14) . . ?
W6 O14 W2 139.7(5) . . ?
C15 C14 C13 120.7(16) . . ?
W4 O15 W2 139.7(7) . . ?
C14 C15 C16 124.5(15) . . ?
W2 O16 W3 140.0(6) . . ?
C15 C16 C17 116.9(15) . . ?
W1 O17 W4 140.3(7) . 2_646 ?
N4 C17 C16 135.0(14) . . ?
N4 C17 C12 106.6(12) . . ?
C16 C17 C12 118.4(14) . . ?
C19 C18 C23 123.3(11) . . ?
C19 C18 N6 105.3(9) . . ?
C23 C18 N6 131.4(11) . . ?
W2 O18 W5 139.4(7) . . ?
C18 C19 N7 110.3(10) . . ?
C18 C19 C20 120.7(10) . . ?
N7 C19 C20 128.9(10) . . ?
W4 O19 W5 140.4(7) . . ?
C21 C20 C19 115.4(11) . . ?
W6 O20 W4 140.4(7) . 2_646 ?
C22 C21 C20 122.9(12) . . ?
C23 C22 C21 121.6(12) . . ?
C22 C23 C18 116.1(11) . . ?
N7 C24 N6 111.8(10) . . ?
N7 C24 C25 126.9(10) . . ?
N6 C24 C25 121.2(10) . . ?
C26 C25 N8 114.1(10) . . ?
C26 C25 C24 124.3(10) . . ?
N8 C25 C24 121.7(9) . . ?
C25 C26 S2 110.7(9) . . ?
N8 C27 S2 116.5(9) . . ?

_refine_diff_density_max         2.122
_refine_diff_density_min         -3.594
_refine_diff_density_rms         0.305


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

data_compound-2
_database_code_depnum_ccdc_archive 'CCDC 989453'
_audit_update_record             
;
2015-08-01 deposited with the CCDC.
2015-08-12 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            'C22 H49 Ag Mo12 N8 O47.50 P'
_chemical_formula_weight         2475.81

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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'

_cell_length_a                   12.8317(6)
_cell_length_b                   12.8788(6)
_cell_length_c                   19.4273(9)
_cell_angle_alpha                80.6810(10)
_cell_angle_beta                 89.7920(10)
_cell_angle_gamma                78.5860(10)
_cell_volume                     3104.1(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    3890
_cell_measurement_theta_min      2.41
_cell_measurement_theta_max      25.72

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    2.649
_exptl_crystal_F_000             2212
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.160
_exptl_absorpt_coefficient_mu    2.764
_shelx_estimated_absorpt_T_min   0.580
_shelx_estimated_absorpt_T_max   0.665
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.554
_exptl_absorpt_correction_T_max  0.641
_exptl_absorpt_process_details   'ABSCOR by T.Higashi    8  March, 1995'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            16011
_diffrn_reflns_av_unetI/netI     0.0520
_diffrn_reflns_av_R_equivalents  0.0215
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.620
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_full        24.999
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             10941
_reflns_number_gt                7649
_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 XSCANS'
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_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          
;
During the new refinements of compound 2, the restraint command 'ISOR'
 was used to refine the non-H atoms with ADP problems. These atoms are
 as follows: N7, N8, O16, O17, O18, O36 and O37. 
In the final refinement, the water molecule could not be modeled properly,
 thus the SQUEEZE routine of PLATON was applied to remove the contributions
 to the scattering from the solvent molecules. The reported refinements are
 of the guest-free structures using the *.hkp files produced by using the
 SQUEEZE routine.The SQUEEZE program indicates that there are seven and a half
 solvent water molecules in the crystal structure. 
 These water molecules were directly included in the final molecular formula
 based on the elemental analysis and SQUEEZE analysis. 
Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0740P)²+0.3685P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10884
_refine_ls_number_parameters     796
_refine_ls_number_restraints     42
_refine_ls_R_factor_all          0.0751
_refine_ls_R_factor_gt           0.0470
_refine_ls_wR_factor_ref         0.1328
_refine_ls_wR_factor_gt          0.1205
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_restrained_S_all      1.041
_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 0.20474(5) -0.02029(6) 0.83521(3) 0.04628(19) Uani 1 1 d . . . . .
Mo1 Mo 0.23172(6) 0.10806(8) 0.44365(5) 0.0551(3) Uani 1 1 d . . . . .
P1 P 0.5000 0.0000 0.5000 0.0264(6) Uani 1 2 d S . P . .
C1 C 0.2474(6) -0.1003(7) 0.9957(4) 0.036(2) Uani 1 1 d . . . . .
N1 N 0.2753(5) -0.1112(6) 0.9312(4) 0.0415(18) Uani 1 1 d . . . . .
O1 O 0.4565(8) -0.0649(8) 0.5651(5) 0.031(2) Uani 0.5 1 d . . P . .
Mo2 Mo 0.29429(7) -0.13717(8) 0.56151(4) 0.0520(2) Uani 1 1 d . . . . .
P2 P 0.0000 0.5000 1.0000 0.0246(6) Uani 1 2 d S . P . .
N2 N 0.3597(5) -0.1956(6) 0.9365(4) 0.0441(18) Uani 1 1 d . . . . .
H2A H 0.3919 -0.2194 0.9016 0.053 Uiso 1 1 calc R U . . .
C2 C 0.3165(6) -0.1758(7) 1.0437(4) 0.0360(19) Uani 1 1 d . . . . .
O2 O 0.3990(7) -0.0322(8) 0.4787(5) 0.028(2) Uani 0.5 1 d . . P . .
Mo3 Mo 0.35953(7) 0.23852(7) 0.55550(4) 0.0466(2) Uani 1 1 d . . . . .
N3 N 0.3958(7) 0.0542(7) 1.1625(4) 0.055(2) Uani 1 1 d . . . . .
H3A H 0.4359 0.1007 1.1608 0.066 Uiso 1 1 calc R U . . .
C3 C 0.3858(6) -0.2365(7) 1.0045(5) 0.043(2) Uani 1 1 d . . . . .
O3 O 0.5114(8) -0.0601(9) 0.4410(5) 0.034(3) Uani 0.5 1 d . . P . .
Mo4 Mo 0.57995(6) 0.00635(7) 0.32485(4) 0.0428(2) Uani 1 1 d . . . . .
O4 O 0.5862(8) -0.1090(9) 0.5211(5) 0.033(3) Uani 0.5 1 d . . P . .
N4 N 0.2999(6) 0.0599(7) 1.1937(4) 0.056(2) Uani 1 1 d . . . . .
C4 C 0.1548(7) -0.0174(7) 1.0098(5) 0.044(2) Uani 1 1 d . . . . .
H4A H 0.1469 -0.0215 1.0592 0.066 Uiso 1 1 calc R U . . .
H4B H 0.1663 0.0526 0.9900 0.066 Uiso 1 1 calc R U . . .
H4C H 0.0915 -0.0297 0.9891 0.066 Uiso 1 1 calc R U . . .
Mo5 Mo 0.37235(6) -0.12755(7) 0.38550(4) 0.0396(2) Uani 1 1 d . . . . .
O5 O 0.3138(6) -0.1886(6) 0.3347(4) 0.078(2) Uani 1 1 d . . . . .
N5 N 0.1354(5) 0.0778(6) 0.7419(3) 0.0368(17) Uani 1 1 d . . . . .
C5 C 0.4746(7) -0.3322(8) 1.0239(6) 0.064(3) Uani 1 1 d . . . . .
H5A H 0.4821 -0.3502 1.0737 0.096 Uiso 1 1 calc R U . . .
H5B H 0.4588 -0.3920 1.0051 0.096 Uiso 1 1 calc R U . . .
H5C H 0.5398 -0.3155 1.0051 0.096 Uiso 1 1 calc R U . . .
Mo6 Mo 0.43712(8) 0.24436(7) 0.37966(5) 0.0575(3) Uani 1 1 d . . . . .
O6 O 0.6123(5) 0.0140(7) 0.2429(3) 0.065(2) Uani 1 1 d . . . . .
N6 N 0.0754(5) 0.0459(6) 0.6967(4) 0.0414(17) Uani 1 1 d . . . . .
H6C H 0.0639 -0.0183 0.7004 0.050 Uiso 1 1 calc R U . . .
C6 C 0.3179(8) -0.1884(7) 1.1201(4) 0.049(2) Uani 1 1 d . . . . .
H6A H 0.3752 -0.2473 1.1388 0.058 Uiso 1 1 calc R U . . .
H6B H 0.2515 -0.2069 1.1368 0.058 Uiso 1 1 calc R U . . .
Mo7 Mo -0.01414(7) 0.28521(6) 0.90906(5) 0.0490(2) Uani 1 1 d . . . . .
C7 C 0.3324(7) -0.0887(7) 1.1470(4) 0.041(2) Uani 1 1 d . . . . .
N7 N -0.2457(7) 0.4132(7) 0.5901(6) 0.078(3) Uani 1 1 d . U . . .
H7A H -0.3098 0.4283 0.6041 0.094 Uiso 1 1 calc R U . . .
O7 O 0.1063(5) 0.1568(6) 0.4165(4) 0.067(2) Uani 1 1 d . . . . .
Mo8 Mo -0.22712(6) 0.51078(7) 0.89235(5) 0.0515(2) Uani 1 1 d . . . . .
C8 C 0.4173(7) -0.0380(8) 1.1343(4) 0.047(2) Uani 1 1 d . . . . .
O8 O 0.4080(6) 0.3550(6) 0.3229(4) 0.080(2) Uani 1 1 d . . . . .
N8 N -0.2216(8) 0.4182(7) 0.5265(6) 0.075(3) Uani 1 1 d . U . . .
Mo9 Mo 0.02105(8) 0.53671(7) 0.81538(4) 0.0506(2) Uani 1 1 d . . . . .
C9 C 0.2610(7) -0.0257(7) 1.1841(5) 0.044(2) Uani 1 1 d . . . . .
O9 O 0.2951(5) 0.3482(5) 0.5824(4) 0.069(2) Uani 1 1 d . . . . .
Mo10 Mo 0.24565(6) 0.53575(6) 0.92260(4) 0.0432(2) Uani 1 1 d . . . . .
C10 C 0.1566(7) -0.0371(9) 1.2153(5) 0.062(3) Uani 1 1 d . . . . .
H10A H 0.1374 -0.1013 1.2048 0.093 Uiso 1 1 calc R U . . .
H10B H 0.1620 -0.0413 1.2649 0.093 Uiso 1 1 calc R U . . .
H10C H 0.1030 0.0239 1.1961 0.093 Uiso 1 1 calc R U . . .
O10 O 0.2001(6) -0.2025(7) 0.5901(4) 0.079(2) Uani 1 1 d . . . . .
Mo11 Mo -0.02443(6) 0.24616(6) 1.09301(4) 0.0382(2) Uani 1 1 d . . . . .
C11 C 0.5189(8) -0.0694(10) 1.0982(5) 0.066(3) Uani 1 1 d . . . . .
H11A H 0.5198 -0.1361 1.0820 0.100 Uiso 1 1 calc R U . . .
H11B H 0.5244 -0.0146 1.0593 0.100 Uiso 1 1 calc R U . . .
H11C H 0.5779 -0.0777 1.1303 0.100 Uiso 1 1 calc R U . . .
O11 O 0.4551(5) -0.0519(6) 0.3241(4) 0.065(2) Uani 1 1 d . . . . .
Mo12 Mo 0.21819(5) 0.27891(6) 1.01021(4) 0.0395(2) Uani 1 1 d . . . . .
O12 O 0.3183(7) -0.1794(6) 0.4729(4) 0.083(3) Uani 1 1 d . . . . .
C12 C 0.1311(6) 0.1813(7) 0.7181(4) 0.037(2) Uani 1 1 d . . . . .
O13 O 0.2727(6) 0.0004(6) 0.3853(3) 0.071(2) Uani 1 1 d . . . . .
C13 C 0.0678(6) 0.2133(6) 0.6576(4) 0.0349(19) Uani 1 1 d . . . . .
O14 O 0.2160(6) -0.0024(6) 0.5156(3) 0.075(2) Uani 1 1 d . . . . .
C14 C 0.0351(6) 0.1254(7) 0.6450(4) 0.039(2) Uani 1 1 d . . . . .
C15 C 0.1942(8) 0.2464(8) 0.7538(4) 0.052(3) Uani 1 1 d . . . . .
H15A H 0.1814 0.3190 0.7295 0.078 Uiso 1 1 calc R U . . .
H15B H 0.1725 0.2457 0.8012 0.078 Uiso 1 1 calc R U . . .
H15C H 0.2686 0.2155 0.7533 0.078 Uiso 1 1 calc R U . . .
O15 O 0.3150(6) -0.0671(6) 0.6381(5) 0.088(3) Uani 1 1 d . . . . .
C16 C -0.0325(7) 0.1063(8) 0.5886(5) 0.058(3) Uani 1 1 d . . . . .
H16A H -0.0543 0.1717 0.5561 0.087 Uiso 1 1 calc R U . . .
H16B H 0.0072 0.0521 0.5648 0.087 Uiso 1 1 calc R U . . .
H16C H -0.0941 0.0825 0.6083 0.087 Uiso 1 1 calc R U . . .
O16 O 0.3067(7) 0.1974(7) 0.3816(4) 0.087(3) Uani 1 1 d . U . . .
C17 C 0.0418(7) 0.3270(7) 0.6158(5) 0.049(2) Uani 1 1 d . . . . .
H17A H 0.0583 0.3765 0.6448 0.059 Uiso 1 1 calc R U . . .
H17B H 0.0878 0.3302 0.5761 0.059 Uiso 1 1 calc R U . . .
O17 O 0.2479(7) 0.1937(7) 0.5131(4) 0.085(2) Uani 1 1 d . U . . .
C18 C -0.0723(7) 0.3643(7) 0.5896(5) 0.046(2) Uani 1 1 d . . . . .
O18 O 0.3999(7) 0.2934(7) 0.4655(4) 0.088(3) Uani 1 1 d . U . . .
O19 O 0.4879(6) 0.1439(6) 0.3204(5) 0.089(3) Uani 1 1 d . . . . .
C19 C -0.1154(10) 0.3874(8) 0.5223(6) 0.065(3) Uani 1 1 d . . . . .
O20 O 0.5008(5) -0.2318(5) 0.4124(4) 0.0619(19) Uani 1 1 d . . . . .
C20 C -0.1610(8) 0.3820(8) 0.6323(6) 0.057(3) Uani 1 1 d . . . . .
O21 O 0.5808(6) 0.2402(6) 0.4040(5) 0.086(3) Uani 1 1 d . . . . .
C21 C -0.0606(13) 0.3847(10) 0.4592(6) 0.102(5) Uani 1 1 d . . . . .
H21A H 0.0142 0.3601 0.4694 0.153 Uiso 1 1 calc R U . . .
H21B H -0.0857 0.3365 0.4334 0.153 Uiso 1 1 calc R U . . .
H21C H -0.0730 0.4554 0.4321 0.153 Uiso 1 1 calc R U . . .
C22 C -0.1670(11) 0.3670(11) 0.7119(7) 0.098(4) Uani 1 1 d . . . . .
H22A H -0.0965 0.3441 0.7323 0.147 Uiso 1 1 calc R U . . .
H22B H -0.1999 0.4338 0.7258 0.147 Uiso 1 1 calc R U . . .
H22C H -0.2084 0.3136 0.7275 0.147 Uiso 1 1 calc R U . . .
O22 O 0.3496(5) 0.1320(5) 0.6345(4) 0.0616(19) Uani 1 1 d . . . . .
O23 O -0.0375(7) 0.6218(7) 0.9946(5) 0.022(2) Uani 0.5 1 d . . P . .
O24 O 0.0549(7) 0.5590(7) 0.9399(5) 0.023(2) Uani 0.5 1 d . . P . .
O25 O -0.0430(7) 0.4685(7) 0.9293(5) 0.025(2) Uani 0.5 1 d . . P . .
O26 O 0.1150(7) 0.4626(8) 1.0044(5) 0.028(2) Uani 0.5 1 d . . P . .
O27 O -0.0202(5) 0.1871(5) 0.8661(3) 0.0544(17) Uani 1 1 d . . . . .
O28 O 0.3177(6) 0.1767(5) 1.0148(4) 0.068(2) Uani 1 1 d . . . . .
O29 O -0.0372(5) 0.1281(5) 1.1364(4) 0.063(2) Uani 1 1 d . . . . .
O30 O 0.0269(6) 0.5564(5) 0.7299(3) 0.0578(18) Uani 1 1 d . . . . .
O31 O -0.3358(6) 0.5164(6) 0.8452(4) 0.074(2) Uani 1 1 d . . . . .
O32 O 0.3590(6) 0.5513(6) 0.8850(4) 0.073(2) Uani 1 1 d . . . . .
O33 O 0.1228(5) 0.2220(7) 1.0742(3) 0.075(2) Uani 1 1 d . . . . .
O34 O -0.0492(5) 0.2293(7) 0.9982(3) 0.072(2) Uani 1 1 d . . . . .
O35 O 0.1319(6) 0.2506(7) 0.9395(3) 0.074(2) Uani 1 1 d . . . . .
O36 O -0.1580(6) 0.3662(6) 0.8928(5) 0.091(3) Uani 1 1 d . U . . .
O37 O 0.0249(6) 0.3914(6) 0.8372(5) 0.090(3) Uani 1 1 d . U . . .
O38 O -0.1327(6) 0.5572(5) 0.8261(5) 0.093(3) Uani 1 1 d . . . . .
O39 O 0.0002(6) 0.6831(5) 0.8325(4) 0.073(2) Uani 1 1 d . . . . .
O40 O 0.1623(6) 0.5188(6) 0.8428(4) 0.078(3) Uani 1 1 d . . . . .
O41 O 0.2650(6) 0.3806(5) 0.9449(3) 0.0532(17) Uani 1 1 d . . . . .
O42 O 0.2560(6) 0.3501(5) 1.0821(3) 0.0571(18) Uani 1 1 d . . . . .
O43 O 0.2747(6) 0.5384(5) 1.0158(3) 0.064(2) Uani 1 1 d . . . . .
O44 O 0.1689(6) 0.6778(6) 0.9091(4) 0.078(3) Uani 1 1 d . . . . .


_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 N5 2.122(6) . ?
Ag1 N1 2.134(7) . ?
Mo1 O7 1.662(6) . ?
Mo1 O14 1.867(7) . ?
Mo1 O17 1.912(7) . ?
Mo1 O16 1.919(7) . ?
Mo1 O13 1.923(7) . ?
Mo1 O4 2.441(10) 2_656 ?
P1 O3 1.475(10) . ?
P1 O3 1.475(10) 2_656 ?
P1 O2 1.515(9) 2_656 ?
P1 O2 1.515(9) . ?
P1 O1 1.564(10) 2_656 ?
P1 O1 1.564(10) . ?
P1 O4 1.602(10) 2_656 ?
P1 O4 1.602(10) . ?
C1 N1 1.323(10) . ?
C1 C2 1.405(11) . ?
C1 C4 1.489(11) . ?
N1 N2 1.365(9) . ?
O1 O3 1.725(15) 2_656 ?
O1 O2 1.788(13) . ?
O1 Mo4 2.395(10) 2_656 ?
O1 Mo2 2.448(10) . ?
O1 Mo6 2.513(10) 2_656 ?
Mo2 O10 1.651(6) . ?
Mo2 O12 1.893(7) . ?
Mo2 O15 1.905(8) . ?
Mo2 O14 1.906(7) . ?
Mo2 O21 1.912(7) 2_656 ?
Mo2 O2 2.495(10) . ?
P2 O26 1.457(9) 2_567 ?
P2 O26 1.457(9) . ?
P2 O23 1.534(9) . ?
P2 O23 1.534(9) 2_567 ?
P2 O24 1.534(9) 2_567 ?
P2 O24 1.534(9) . ?
P2 O25 1.622(9) 2_567 ?
P2 O25 1.622(9) . ?
N2 C3 1.358(11) . ?
C2 C3 1.377(12) . ?
C2 C6 1.465(11) . ?
O2 O3 1.617(13) . ?
O2 Mo5 2.407(10) . ?
Mo3 O9 1.651(6) . ?
Mo3 O20 1.881(6) 2_656 ?
Mo3 O17 1.885(7) . ?
Mo3 O18 1.887(7) . ?
Mo3 O22 1.909(6) . ?
Mo3 O4 2.411(10) 2_656 ?
N3 N4 1.365(11) . ?
N3 C8 1.366(12) . ?
C3 C5 1.502(12) . ?
O3 O1 1.725(15) 2_656 ?
O3 O4 1.786(14) . ?
O3 Mo5 2.456(10) . ?
O3 Mo4 2.501(10) . ?
Mo4 O6 1.636(6) . ?
Mo4 O22 1.878(6) 2_656 ?
Mo4 O15 1.885(7) 2_656 ?
Mo4 O11 1.900(6) . ?
Mo4 O19 1.914(7) . ?
Mo4 O1 2.395(10) 2_656 ?
O4 Mo3 2.411(10) 2_656 ?
O4 Mo1 2.440(10) 2_656 ?
O4 Mo6 2.441(11) 2_656 ?
N4 C9 1.335(12) . ?
Mo5 O5 1.627(6) . ?
Mo5 O13 1.875(7) . ?
Mo5 O11 1.877(6) . ?
Mo5 O12 1.902(7) . ?
Mo5 O20 1.923(6) . ?
N5 C12 1.330(11) . ?
N5 N6 1.333(9) . ?
Mo6 O8 1.634(7) . ?
Mo6 O16 1.887(7) . ?
Mo6 O19 1.888(7) . ?
Mo6 O21 1.893(7) . ?
Mo6 O18 1.904(7) . ?
Mo6 O4 2.441(11) 2_656 ?
Mo6 O1 2.513(10) 2_656 ?
N6 C14 1.336(10) . ?
C6 C7 1.506(12) . ?
Mo7 O27 1.637(6) . ?
Mo7 O34 1.854(6) . ?
Mo7 O35 1.911(7) . ?
Mo7 O37 1.928(7) . ?
Mo7 O36 1.931(8) . ?
Mo7 O25 2.412(9) . ?
C7 C8 1.379(12) . ?
C7 C9 1.381(12) . ?
N7 N8 1.268(13) . ?
N7 C20 1.320(13) . ?
Mo8 O31 1.654(6) . ?
Mo8 O38 1.873(7) . ?
Mo8 O36 1.896(7) . ?
Mo8 O42 1.902(6) 2_567 ?
Mo8 O43 1.934(7) 2_567 ?
Mo8 O25 2.401(9) . ?
C8 C11 1.494(13) . ?
N8 C19 1.348(15) . ?
Mo9 O30 1.642(6) . ?
Mo9 O37 1.842(7) . ?
Mo9 O40 1.850(7) . ?
Mo9 O39 1.933(6) . ?
Mo9 O38 1.953(7) . ?
Mo9 O25 2.447(10) . ?
C9 C10 1.493(13) . ?
Mo10 O32 1.657(6) . ?
Mo10 O43 1.857(7) . ?
Mo10 O44 1.876(6) . ?
Mo10 O41 1.941(6) . ?
Mo10 O40 1.951(6) . ?
Mo10 O24 2.435(9) . ?
Mo10 O26 2.519(10) . ?
Mo11 O29 1.653(6) . ?
Mo11 O39 1.888(6) 2_567 ?
Mo11 O33 1.897(7) . ?
Mo11 O44 1.915(7) 2_567 ?
Mo11 O34 1.924(6) . ?
Mo11 O24 2.440(9) 2_567 ?
Mo11 O23 2.451(9) 2_567 ?
Mo12 O28 1.633(6) . ?
Mo12 O41 1.858(6) . ?
Mo12 O35 1.892(6) . ?
Mo12 O42 1.903(6) . ?
Mo12 O33 1.905(7) . ?
Mo12 O23 2.410(9) 2_567 ?
Mo12 O26 2.457(9) . ?
C12 C13 1.388(11) . ?
C12 C15 1.516(12) . ?
C13 C14 1.340(12) . ?
C13 C17 1.529(11) . ?
C14 C16 1.482(12) . ?
O15 Mo4 1.885(7) 2_656 ?
C17 C18 1.511(11) . ?
C18 C19 1.384(13) . ?
C18 C20 1.411(14) . ?
C19 C21 1.413(17) . ?
O20 Mo3 1.881(6) 2_656 ?
C20 C22 1.530(16) . ?
O21 Mo2 1.912(7) 2_656 ?
O22 Mo4 1.878(6) 2_656 ?
O23 O26 1.610(13) 2_567 ?
O23 O24 1.755(12) . ?
O23 Mo12 2.410(9) 2_567 ?
O23 Mo11 2.452(9) 2_567 ?
O24 O26 1.682(13) . ?
O24 Mo11 2.440(9) 2_567 ?
O26 O23 1.610(13) 2_567 ?
O39 Mo11 1.888(6) 2_567 ?
O42 Mo8 1.902(6) 2_567 ?
O43 Mo8 1.934(7) 2_567 ?
O44 Mo11 1.915(7) 2_567 ?

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
N5 Ag1 N1 176.9(3) . . ?
O7 Mo1 O14 101.6(4) . . ?
O7 Mo1 O17 101.7(4) . . ?
O14 Mo1 O17 88.2(3) . . ?
O7 Mo1 O16 101.8(4) . . ?
O14 Mo1 O16 156.6(4) . . ?
O17 Mo1 O16 87.8(3) . . ?
O7 Mo1 O13 100.9(3) . . ?
O14 Mo1 O13 87.8(3) . . ?
O17 Mo1 O13 157.4(4) . . ?
O16 Mo1 O13 87.1(3) . . ?
O7 Mo1 O4 158.3(4) . 2_656 ?
O14 Mo1 O4 94.2(4) . 2_656 ?
O17 Mo1 O4 63.6(4) . 2_656 ?
O16 Mo1 O4 63.5(3) . 2_656 ?
O13 Mo1 O4 94.5(3) . 2_656 ?
O3 P1 O3 180.0 . 2_656 ?
O3 P1 O2 114.5(5) . 2_656 ?
O3 P1 O2 65.5(5) 2_656 2_656 ?
O3 P1 O2 65.5(5) . . ?
O3 P1 O2 114.5(5) 2_656 . ?
O2 P1 O2 180.0 2_656 . ?
O3 P1 O1 69.1(6) . 2_656 ?
O3 P1 O1 110.9(6) 2_656 2_656 ?
O2 P1 O1 71.0(5) 2_656 2_656 ?
O2 P1 O1 109.0(5) . 2_656 ?
O3 P1 O1 110.9(6) . . ?
O3 P1 O1 69.1(6) 2_656 . ?
O2 P1 O1 109.0(5) 2_656 . ?
O2 P1 O1 71.0(5) . . ?
O1 P1 O1 180.0(7) 2_656 . ?
O3 P1 O4 109.1(5) . 2_656 ?
O3 P1 O4 70.9(5) 2_656 2_656 ?
O2 P1 O4 106.5(5) 2_656 2_656 ?
O2 P1 O4 73.5(5) . 2_656 ?
O1 P1 O4 73.6(5) 2_656 2_656 ?
O1 P1 O4 106.4(5) . 2_656 ?
O3 P1 O4 70.9(5) . . ?
O3 P1 O4 109.1(5) 2_656 . ?
O2 P1 O4 73.5(5) 2_656 . ?
O2 P1 O4 106.5(5) . . ?
O1 P1 O4 106.4(5) 2_656 . ?
O1 P1 O4 73.6(5) . . ?
O4 P1 O4 180.0 2_656 . ?
N1 C1 C2 110.0(7) . . ?
N1 C1 C4 121.4(7) . . ?
C2 C1 C4 128.6(8) . . ?
C1 N1 N2 106.7(7) . . ?
C1 N1 Ag1 128.6(6) . . ?
N2 N1 Ag1 124.7(6) . . ?
P1 O1 O3 53.0(5) . 2_656 ?
P1 O1 O2 53.2(4) . . ?
O3 O1 O2 91.4(7) 2_656 . ?
P1 O1 Mo4 125.7(6) . 2_656 ?
O3 O1 Mo4 72.7(5) 2_656 2_656 ?
O2 O1 Mo4 137.1(6) . 2_656 ?
P1 O1 Mo2 123.4(5) . . ?
O3 O1 Mo2 137.0(6) 2_656 . ?
O2 O1 Mo2 70.2(4) . . ?
Mo4 O1 Mo2 94.4(3) 2_656 . ?
P1 O1 Mo6 119.6(5) . 2_656 ?
O3 O1 Mo6 128.8(6) 2_656 2_656 ?
O2 O1 Mo6 126.0(6) . 2_656 ?
Mo4 O1 Mo6 93.1(3) 2_656 2_656 ?
Mo2 O1 Mo6 91.9(4) . 2_656 ?
O10 Mo2 O12 101.1(4) . . ?
O10 Mo2 O15 101.8(4) . . ?
O12 Mo2 O15 157.1(4) . . ?
O10 Mo2 O14 103.1(4) . . ?
O12 Mo2 O14 88.5(3) . . ?
O15 Mo2 O14 87.4(3) . . ?
O10 Mo2 O21 101.1(4) . 2_656 ?
O12 Mo2 O21 88.3(3) . 2_656 ?
O15 Mo2 O21 86.4(3) . 2_656 ?
O14 Mo2 O21 155.8(4) . 2_656 ?
O10 Mo2 O1 158.2(4) . . ?
O12 Mo2 O1 95.3(4) . . ?
O15 Mo2 O1 62.4(4) . . ?
O14 Mo2 O1 91.6(4) . . ?
O21 Mo2 O1 64.9(3) 2_656 . ?
O10 Mo2 O2 159.4(3) . . ?
O12 Mo2 O2 63.0(4) . . ?
O15 Mo2 O2 94.9(4) . . ?
O14 Mo2 O2 65.4(3) . . ?
O21 Mo2 O2 91.9(4) 2_656 . ?
O1 Mo2 O2 42.4(3) . . ?
O26 P2 O26 180.0 2_567 . ?
O26 P2 O23 65.1(5) 2_567 . ?
O26 P2 O23 114.9(5) . . ?
O26 P2 O23 114.9(5) 2_567 2_567 ?
O26 P2 O23 65.1(5) . 2_567 ?
O23 P2 O23 180.0 . 2_567 ?
O26 P2 O24 68.4(5) 2_567 2_567 ?
O26 P2 O24 111.6(5) . 2_567 ?
O23 P2 O24 110.2(5) . 2_567 ?
O23 P2 O24 69.8(5) 2_567 2_567 ?
O26 P2 O24 111.6(5) 2_567 . ?
O26 P2 O24 68.4(5) . . ?
O23 P2 O24 69.8(5) . . ?
O23 P2 O24 110.2(5) 2_567 . ?
O24 P2 O24 180.0(5) 2_567 . ?
O26 P2 O25 107.5(5) 2_567 2_567 ?
O26 P2 O25 72.5(5) . 2_567 ?
O23 P2 O25 73.7(5) . 2_567 ?
O23 P2 O25 106.3(5) 2_567 2_567 ?
O24 P2 O25 74.3(5) 2_567 2_567 ?
O24 P2 O25 105.7(5) . 2_567 ?
O26 P2 O25 72.5(5) 2_567 . ?
O26 P2 O25 107.5(5) . . ?
O23 P2 O25 106.3(5) . . ?
O23 P2 O25 73.7(5) 2_567 . ?
O24 P2 O25 105.7(5) 2_567 . ?
O24 P2 O25 74.3(5) . . ?
O25 P2 O25 180.0 2_567 . ?
C3 N2 N1 110.6(7) . . ?
C3 C2 C1 105.9(7) . . ?
C3 C2 C6 125.9(8) . . ?
C1 C2 C6 128.2(8) . . ?
P1 O2 O3 56.1(5) . . ?
P1 O2 O1 55.8(4) . . ?
O3 O2 O1 94.5(7) . . ?
P1 O2 Mo5 128.3(5) . . ?
O3 O2 Mo5 72.2(5) . . ?
O1 O2 Mo5 136.9(6) . . ?
P1 O2 Mo2 123.2(5) . . ?
O3 O2 Mo2 134.7(7) . . ?
O1 O2 Mo2 67.4(5) . . ?
Mo5 O2 Mo2 92.8(3) . . ?
O9 Mo3 O20 101.6(3) . 2_656 ?
O9 Mo3 O17 101.2(4) . . ?
O20 Mo3 O17 157.1(4) 2_656 . ?
O9 Mo3 O18 102.0(4) . . ?
O20 Mo3 O18 88.3(3) 2_656 . ?
O17 Mo3 O18 88.3(3) . . ?
O9 Mo3 O22 101.2(4) . . ?
O20 Mo3 O22 86.6(3) 2_656 . ?
O17 Mo3 O22 87.7(3) . . ?
O18 Mo3 O22 156.8(4) . . ?
O9 Mo3 O4 159.0(3) . 2_656 ?
O20 Mo3 O4 93.7(3) 2_656 2_656 ?
O17 Mo3 O4 64.6(4) . 2_656 ?
O18 Mo3 O4 63.9(4) . 2_656 ?
O22 Mo3 O4 93.9(3) . 2_656 ?
N4 N3 C8 108.3(8) . . ?
N2 C3 C2 106.8(7) . . ?
N2 C3 C5 120.6(9) . . ?
C2 C3 C5 132.6(9) . . ?
P1 O3 O2 58.4(5) . . ?
P1 O3 O1 57.9(5) . 2_656 ?
O2 O3 O1 97.1(7) . 2_656 ?
P1 O3 O4 57.9(5) . . ?
O2 O3 O4 94.2(7) . . ?
O1 O3 O4 92.4(7) 2_656 . ?
P1 O3 Mo5 127.4(6) . . ?
O2 O3 Mo5 68.9(5) . . ?
O1 O3 Mo5 133.4(6) 2_656 . ?
O4 O3 Mo5 131.5(7) . . ?
P1 O3 Mo4 124.0(6) . . ?
O2 O3 Mo4 134.0(6) . . ?
O1 O3 Mo4 66.1(5) 2_656 . ?
O4 O3 Mo4 127.3(6) . . ?
Mo5 O3 Mo4 91.4(3) . . ?
O6 Mo4 O22 103.5(3) . 2_656 ?
O6 Mo4 O15 101.5(4) . 2_656 ?
O22 Mo4 O15 90.7(3) 2_656 2_656 ?
O6 Mo4 O11 101.3(3) . . ?
O22 Mo4 O11 86.6(3) 2_656 . ?
O15 Mo4 O11 157.0(4) 2_656 . ?
O6 Mo4 O19 99.3(4) . . ?
O22 Mo4 O19 157.1(4) 2_656 . ?
O15 Mo4 O19 86.6(3) 2_656 . ?
O11 Mo4 O19 87.1(3) . . ?
O6 Mo4 O1 157.7(4) . 2_656 ?
O22 Mo4 O1 93.7(3) 2_656 2_656 ?
O15 Mo4 O1 63.8(4) 2_656 2_656 ?
O11 Mo4 O1 93.7(3) . 2_656 ?
O19 Mo4 O1 64.7(4) . 2_656 ?
O6 Mo4 O3 160.8(4) . . ?
O22 Mo4 O3 66.0(3) 2_656 . ?
O15 Mo4 O3 94.9(4) 2_656 . ?
O11 Mo4 O3 63.3(3) . . ?
O19 Mo4 O3 91.6(4) . . ?
O1 Mo4 O3 41.2(4) 2_656 . ?
P1 O4 O3 51.3(4) . . ?
P1 O4 Mo3 124.2(5) . 2_656 ?
O3 O4 Mo3 72.9(5) . 2_656 ?
P1 O4 Mo1 121.7(6) . 2_656 ?
O3 O4 Mo1 132.8(6) . 2_656 ?
Mo3 O4 Mo1 93.7(3) 2_656 2_656 ?
P1 O4 Mo6 121.8(5) . 2_656 ?
O3 O4 Mo6 131.4(6) . 2_656 ?
Mo3 O4 Mo6 94.0(4) 2_656 2_656 ?
Mo1 O4 Mo6 93.6(3) 2_656 2_656 ?
C9 N4 N3 108.2(8) . . ?
O5 Mo5 O13 102.0(4) . . ?
O5 Mo5 O11 103.3(4) . . ?
O13 Mo5 O11 89.4(3) . . ?
O5 Mo5 O12 100.0(4) . . ?
O13 Mo5 O12 87.3(3) . . ?
O11 Mo5 O12 156.7(4) . . ?
O5 Mo5 O20 101.3(4) . . ?
O13 Mo5 O20 156.6(3) . . ?
O11 Mo5 O20 86.9(3) . . ?
O12 Mo5 O20 87.0(3) . . ?
O5 Mo5 O2 159.9(4) . . ?
O13 Mo5 O2 65.7(3) . . ?
O11 Mo5 O2 92.8(3) . . ?
O12 Mo5 O2 64.9(4) . . ?
O20 Mo5 O2 91.4(3) . . ?
O5 Mo5 O3 161.1(4) . . ?
O13 Mo5 O3 92.6(4) . . ?
O11 Mo5 O3 64.6(3) . . ?
O12 Mo5 O3 92.6(4) . . ?
O20 Mo5 O3 65.0(3) . . ?
O2 Mo5 O3 38.8(3) . . ?
C12 N5 N6 104.9(6) . . ?
C12 N5 Ag1 130.7(6) . . ?
N6 N5 Ag1 124.1(5) . . ?
O8 Mo6 O16 100.9(4) . . ?
O8 Mo6 O19 100.7(4) . . ?
O16 Mo6 O19 88.2(4) . . ?
O8 Mo6 O21 102.2(4) . . ?
O16 Mo6 O21 157.0(4) . . ?
O19 Mo6 O21 87.5(3) . . ?
O8 Mo6 O18 102.4(4) . . ?
O16 Mo6 O18 87.5(3) . . ?
O19 Mo6 O18 156.8(4) . . ?
O21 Mo6 O18 87.6(4) . . ?
O8 Mo6 O4 158.0(4) . 2_656 ?
O16 Mo6 O4 63.9(3) . 2_656 ?
O19 Mo6 O4 94.8(4) . 2_656 ?
O21 Mo6 O4 93.9(4) . 2_656 ?
O18 Mo6 O4 63.0(4) . 2_656 ?
O8 Mo6 O1 157.0(4) . 2_656 ?
O16 Mo6 O1 94.5(4) . 2_656 ?
O19 Mo6 O1 62.4(3) . 2_656 ?
O21 Mo6 O1 63.6(3) . 2_656 ?
O18 Mo6 O1 95.3(4) . 2_656 ?
O4 Mo6 O1 45.0(3) 2_656 2_656 ?
N5 N6 C14 112.1(7) . . ?
C2 C6 C7 113.1(7) . . ?
O27 Mo7 O34 102.1(3) . . ?
O27 Mo7 O35 101.1(3) . . ?
O34 Mo7 O35 88.5(3) . . ?
O27 Mo7 O37 101.8(4) . . ?
O34 Mo7 O37 156.1(4) . . ?
O35 Mo7 O37 87.1(3) . . ?
O27 Mo7 O36 99.8(4) . . ?
O34 Mo7 O36 89.7(3) . . ?
O35 Mo7 O36 158.9(4) . . ?
O37 Mo7 O36 86.2(3) . . ?
O27 Mo7 O25 156.6(3) . . ?
O34 Mo7 O25 95.1(3) . . ?
O35 Mo7 O25 95.1(3) . . ?
O37 Mo7 O25 62.0(3) . . ?
O36 Mo7 O25 64.2(3) . . ?
C8 C7 C9 106.5(9) . . ?
C8 C7 C6 125.9(9) . . ?
C9 C7 C6 127.3(8) . . ?
N8 N7 C20 112.1(11) . . ?
O31 Mo8 O38 103.3(4) . . ?
O31 Mo8 O36 100.7(4) . . ?
O38 Mo8 O36 90.1(3) . . ?
O31 Mo8 O42 100.4(3) . 2_567 ?
O38 Mo8 O42 89.2(3) . 2_567 ?
O36 Mo8 O42 158.5(4) . 2_567 ?
O31 Mo8 O43 100.0(4) . 2_567 ?
O38 Mo8 O43 156.7(4) . 2_567 ?
O36 Mo8 O43 86.3(3) . 2_567 ?
O42 Mo8 O43 85.8(3) 2_567 2_567 ?
O31 Mo8 O25 159.8(4) . . ?
O38 Mo8 O25 64.5(4) . . ?
O36 Mo8 O25 64.9(4) . . ?
O42 Mo8 O25 95.6(3) 2_567 . ?
O43 Mo8 O25 93.3(3) 2_567 . ?
N3 C8 C7 107.7(9) . . ?
N3 C8 C11 121.4(9) . . ?
C7 C8 C11 130.9(10) . . ?
N7 N8 C19 109.2(10) . . ?
O30 Mo9 O37 103.0(4) . . ?
O30 Mo9 O40 102.3(4) . . ?
O37 Mo9 O40 91.7(3) . . ?
O30 Mo9 O39 100.4(3) . . ?
O37 Mo9 O39 156.1(4) . . ?
O40 Mo9 O39 88.4(3) . . ?
O30 Mo9 O38 100.3(4) . . ?
O37 Mo9 O38 87.1(3) . . ?
O40 Mo9 O38 157.1(4) . . ?
O39 Mo9 O38 83.6(3) . . ?
O30 Mo9 O25 156.3(3) . . ?
O37 Mo9 O25 62.2(3) . . ?
O40 Mo9 O25 96.7(3) . . ?
O39 Mo9 O25 94.1(3) . . ?
O38 Mo9 O25 62.6(3) . . ?
N4 C9 C7 109.2(9) . . ?
N4 C9 C10 117.5(9) . . ?
C7 C9 C10 133.3(9) . . ?
O32 Mo10 O43 102.8(4) . . ?
O32 Mo10 O44 101.3(4) . . ?
O43 Mo10 O44 92.0(3) . . ?
O32 Mo10 O41 102.0(3) . . ?
O43 Mo10 O41 88.7(3) . . ?
O44 Mo10 O41 155.9(3) . . ?
O32 Mo10 O40 100.8(4) . . ?
O43 Mo10 O40 156.3(4) . . ?
O44 Mo10 O40 85.7(3) . . ?
O41 Mo10 O40 84.0(3) . . ?
O32 Mo10 O24 159.1(3) . . ?
O43 Mo10 O24 92.7(3) . . ?
O44 Mo10 O24 63.9(3) . . ?
O41 Mo10 O24 92.0(3) . . ?
O40 Mo10 O24 65.1(3) . . ?
O32 Mo10 O26 161.0(3) . . ?
O43 Mo10 O26 66.5(3) . . ?
O44 Mo10 O26 94.9(4) . . ?
O41 Mo10 O26 63.4(3) . . ?
O40 Mo10 O26 90.1(4) . . ?
O24 Mo10 O26 39.7(3) . . ?
O29 Mo11 O39 100.5(4) . 2_567 ?
O29 Mo11 O33 102.0(3) . . ?
O39 Mo11 O33 90.4(3) 2_567 . ?
O29 Mo11 O44 100.1(3) . 2_567 ?
O39 Mo11 O44 86.9(3) 2_567 2_567 ?
O33 Mo11 O44 157.9(4) . 2_567 ?
O29 Mo11 O34 101.7(4) . . ?
O39 Mo11 O34 157.6(3) 2_567 . ?
O33 Mo11 O34 87.3(3) . . ?
O44 Mo11 O34 87.0(3) 2_567 . ?
O29 Mo11 O24 158.6(3) . 2_567 ?
O39 Mo11 O24 66.8(3) 2_567 2_567 ?
O33 Mo11 O24 95.5(3) . 2_567 ?
O44 Mo11 O24 63.3(3) 2_567 2_567 ?
O34 Mo11 O24 91.3(3) . 2_567 ?
O29 Mo11 O23 159.3(3) . 2_567 ?
O39 Mo11 O23 93.3(3) 2_567 2_567 ?
O33 Mo11 O23 62.4(3) . 2_567 ?
O44 Mo11 O23 95.8(3) 2_567 2_567 ?
O34 Mo11 O23 66.0(3) . 2_567 ?
O24 Mo11 O23 42.0(3) 2_567 2_567 ?
Mo5 O11 Mo4 140.0(4) . . ?
O28 Mo12 O41 101.6(3) . . ?
O28 Mo12 O35 100.8(4) . . ?
O41 Mo12 O35 89.1(3) . . ?
O28 Mo12 O42 101.8(3) . . ?
O41 Mo12 O42 89.0(3) . . ?
O35 Mo12 O42 157.3(3) . . ?
O28 Mo12 O33 101.6(4) . . ?
O41 Mo12 O33 156.8(3) . . ?
O35 Mo12 O33 85.9(3) . . ?
O42 Mo12 O33 87.0(3) . . ?
O28 Mo12 O23 159.5(4) . 2_567 ?
O41 Mo12 O23 94.1(3) . 2_567 ?
O35 Mo12 O23 66.1(3) . 2_567 ?
O42 Mo12 O23 91.5(3) . 2_567 ?
O33 Mo12 O23 63.2(3) . 2_567 ?
O28 Mo12 O26 161.9(4) . . ?
O41 Mo12 O26 65.7(3) . . ?
O35 Mo12 O26 92.2(4) . . ?
O42 Mo12 O26 66.5(3) . . ?
O33 Mo12 O26 91.9(4) . . ?
O23 Mo12 O26 38.6(3) 2_567 . ?
Mo2 O12 Mo5 138.5(5) . . ?
N5 C12 C13 110.1(8) . . ?
N5 C12 C15 121.1(7) . . ?
C13 C12 C15 128.7(8) . . ?
Mo5 O13 Mo1 139.1(4) . . ?
C14 C13 C12 106.0(7) . . ?
C14 C13 C17 128.4(7) . . ?
C12 C13 C17 125.6(8) . . ?
Mo1 O14 Mo2 139.5(4) . . ?
N6 C14 C13 106.9(7) . . ?
N6 C14 C16 120.6(8) . . ?
C13 C14 C16 132.4(8) . . ?
Mo4 O15 Mo2 139.2(5) 2_656 . ?
Mo6 O16 Mo1 138.6(4) . . ?
C18 C17 C13 114.9(7) . . ?
Mo3 O17 Mo1 137.6(5) . . ?
C19 C18 C20 104.3(9) . . ?
C19 C18 C17 130.6(10) . . ?
C20 C18 C17 125.0(9) . . ?
Mo3 O18 Mo6 138.7(5) . . ?
Mo6 O19 Mo4 139.3(5) . . ?
N8 C19 C18 107.8(11) . . ?
N8 C19 C21 124.6(11) . . ?
C18 C19 C21 127.6(12) . . ?
Mo3 O20 Mo5 139.6(4) 2_656 . ?
N7 C20 C18 106.6(10) . . ?
N7 C20 C22 123.2(11) . . ?
C18 C20 C22 130.2(9) . . ?
Mo6 O21 Mo2 139.2(4) . 2_656 ?
Mo4 O22 Mo3 139.5(4) 2_656 . ?
P2 O23 O26 55.2(4) . 2_567 ?
P2 O23 O24 55.1(4) . . ?
O26 O23 O24 94.6(6) 2_567 . ?
P2 O23 Mo12 127.4(5) . 2_567 ?
O26 O23 Mo12 72.3(5) 2_567 2_567 ?
O24 O23 Mo12 139.4(6) . 2_567 ?
P2 O23 Mo11 123.8(5) . 2_567 ?
O26 O23 Mo11 136.6(6) 2_567 2_567 ?
O24 O23 Mo11 68.6(4) . 2_567 ?
Mo12 O23 Mo11 94.4(3) 2_567 2_567 ?
P2 O24 O26 53.7(4) . . ?
P2 O24 O23 55.1(4) . . ?
O26 O24 O23 94.4(6) . . ?
P2 O24 Mo10 126.5(5) . . ?
O26 O24 Mo10 72.8(5) . . ?
O23 O24 Mo10 137.0(6) . . ?
P2 O24 Mo11 124.4(5) . 2_567 ?
O26 O24 Mo11 139.2(6) . 2_567 ?
O23 O24 Mo11 69.3(4) . 2_567 ?
Mo10 O24 Mo11 93.5(3) . 2_567 ?
P2 O25 Mo8 123.3(5) . . ?
P2 O25 Mo7 121.9(5) . . ?
Mo8 O25 Mo7 94.9(3) . . ?
P2 O25 Mo9 120.6(5) . . ?
Mo8 O25 Mo9 94.7(3) . . ?
Mo7 O25 Mo9 94.2(3) . . ?
P2 O26 O23 59.7(5) . 2_567 ?
P2 O26 O24 58.0(4) . . ?
O23 O26 O24 99.7(7) 2_567 . ?
P2 O26 Mo12 128.8(6) . . ?
O23 O26 Mo12 69.1(5) 2_567 . ?
O24 O26 Mo12 134.9(6) . . ?
P2 O26 Mo10 125.4(5) . . ?
O23 O26 Mo10 137.3(6) 2_567 . ?
O24 O26 Mo10 67.5(4) . . ?
Mo12 O26 Mo10 91.0(3) . . ?
Mo11 O33 Mo12 139.5(5) . . ?
Mo7 O34 Mo11 138.5(4) . . ?
Mo12 O35 Mo7 138.5(4) . . ?
Mo8 O36 Mo7 135.8(5) . . ?
Mo9 O37 Mo7 141.5(5) . . ?
Mo8 O38 Mo9 137.4(5) . . ?
Mo11 O39 Mo9 137.1(4) 2_567 . ?
Mo9 O40 Mo10 138.8(4) . . ?
Mo12 O41 Mo10 138.2(4) . . ?
Mo8 O42 Mo12 139.1(4) 2_567 . ?
Mo10 O43 Mo8 140.0(4) . 2_567 ?
Mo10 O44 Mo11 139.1(5) . 2_567 ?

_refine_diff_density_max         0.998
_refine_diff_density_min         -1.104
_refine_diff_density_rms         0.237

# 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 -0.500 0.500 0.500 410 138 ' '
2 0.162 0.391 0.355 14 1 ' '
3 0.177 0.225 0.260 11 6 ' '
4 0.823 0.775 0.740 10 6 ' '
5 0.838 0.609 0.645 14 1 ' '
_platon_squeeze_details          
;
;
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_compound-3
_database_code_depnum_ccdc_archive 'CCDC 989454'
_audit_update_record             
;
2015-08-01 deposited with the CCDC.
2015-08-12 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            'C42 H49 Ag4 Mo12 N14 O42 P S2'
_chemical_formula_weight         3099.80

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 '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'

_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                   14.7828(6)
_cell_length_b                   18.2643(8)
_cell_length_c                   14.7157(6)
_cell_angle_alpha                90
_cell_angle_beta                 110.3830(10)
_cell_angle_gamma                90
_cell_volume                     3724.4(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    6271
_cell_measurement_theta_min      2.66
_cell_measurement_theta_max      25.81

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    2.763
_exptl_crystal_F_000             2946
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.160
_exptl_absorpt_coefficient_mu    3.150
_shelx_estimated_absorpt_T_min   0.571
_shelx_estimated_absorpt_T_max   0.633
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.538
_exptl_absorpt_correction_T_max  0.604
_exptl_absorpt_process_details   'ABSCOR by T.Higashi    8  March, 1995'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            20597
_diffrn_reflns_av_unetI/netI     0.0296
_diffrn_reflns_av_R_equivalents  0.0245
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.845
_diffrn_reflns_theta_max         26.222
_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             7498
_reflns_number_gt                5585
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0469P)²+21.1966P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7498
_refine_ls_number_parameters     542
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0655
_refine_ls_R_factor_gt           0.0442
_refine_ls_wR_factor_ref         0.1191
_refine_ls_wR_factor_gt          0.1073
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_restrained_S_all      1.037
_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
P1 P -0.5000 1.0000 0.5000 0.0271(4) Uani 1 2 d S . P . .
Mo1 Mo -0.62380(6) 1.00638(5) 0.66516(6) 0.0605(2) Uani 1 1 d . . . . .
O1' O -0.4105(6) 1.0239(5) 0.5774(6) 0.0302(18) Uani 0.5 1 d . . P . .
O1 O -0.4094(6) 0.9653(5) 0.4861(6) 0.0312(19) Uani 0.5 1 d . . P . .
Ag1 Ag -0.72554(4) 0.64041(3) 0.27061(4) 0.05241(17) Uani 1 1 d . . . . .
C1 C -0.8351(9) 0.6350(5) 0.5622(6) 0.070(3) Uani 1 1 d . . . . .
S1 S -0.4459(2) 0.61104(17) 0.5374(2) 0.0954(11) Uani 1 1 d . . . . .
N1 N -0.7412(7) 0.6475(4) 0.5770(5) 0.072(2) Uani 1 1 d . . . . .
O1W O -0.7557(8) 0.3672(6) 0.4925(8) 0.158(4) Uiso 1 1 d . . . . .
H2WA H -0.7163 0.4014 0.5133 0.190 Uiso 1 1 d R U . . .
H2WB H -0.7376 0.3305 0.5294 0.190 Uiso 1 1 d R U . . .
Mo2 Mo -0.38152(6) 0.83502(4) 0.47419(6) 0.0571(2) Uani 1 1 d . . . . .
O2' O -0.4987(5) 1.0333(4) 0.3995(6) 0.0270(17) Uani 0.5 1 d . . P . .
O2 O -0.5119(6) 0.9188(5) 0.4878(6) 0.0309(19) Uani 0.5 1 d . . P . .
Ag2 Ag -0.80399(6) 0.49750(4) 0.34738(5) 0.0698(2) Uani 1 1 d . . . . .
C2 C -0.8941(12) 0.6494(6) 0.6164(8) 0.096(4) Uani 1 1 d . . . . .
H2A H -0.8700 0.6728 0.6761 0.115 Uiso 1 1 calc R U . . .
N2 N -0.7995(5) 0.5893(4) 0.4369(4) 0.0558(18) Uani 1 1 d . . . . .
Mo3 Mo -0.62935(5) 1.01759(4) 0.24863(5) 0.0555(2) Uani 1 1 d . . . . .
O3 O -0.2809(6) 0.8870(4) 0.5547(5) 0.095(3) Uani 1 1 d . . . . .
C3 C -0.9886(12) 0.6280(7) 0.5788(9) 0.100(5) Uani 1 1 d . . . . .
H3A H -1.0283 0.6362 0.6148 0.121 Uiso 1 1 calc R U . . .
N3 N -0.6116(6) 0.6216(4) 0.4092(4) 0.0605(19) Uani 1 1 d . . . . .
Mo4 Mo -0.52563(6) 0.83768(4) 0.62518(6) 0.0558(2) Uani 1 1 d . . . . .
O4 O -0.5786(4) 1.1118(4) 0.2771(7) 0.116(3) Uani 1 1 d . . . . .
C4 C -1.0275(9) 0.5944(6) 0.4887(8) 0.087(3) Uani 1 1 d . . . . .
H4A H -1.0926 0.5820 0.4650 0.104 Uiso 1 1 calc R U . . .
N4 N -1.1755(4) 0.3332(3) -0.0506(4) 0.0429(14) Uani 1 1 d . . . . .
H4B H -1.2309 0.3368 -0.0439 0.052 Uiso 1 1 calc R U . . .
Mo5 Mo -0.63907(5) 0.85115(4) 0.37103(5) 0.04863(18) Uani 1 1 d . . . . .
O5 O -0.6166(4) 0.8223(4) 0.5025(4) 0.0717(18) Uani 1 1 d . . . . .
C5 C -0.9692(8) 0.5790(5) 0.4330(7) 0.070(3) Uani 1 1 d . . . . .
H5A H -0.9941 0.5563 0.3728 0.085 Uiso 1 1 calc R U . . .
N5 N -1.1607(4) 0.3435(3) -0.1351(4) 0.0431(14) Uani 1 1 d . . . . .
Mo6 Mo -0.75611(5) 1.01019(4) 0.41261(5) 0.04925(18) Uani 1 1 d . . . . .
O6 O -0.6400(5) 0.9141(3) 0.2705(4) 0.0693(17) Uani 1 1 d . . . . .
C6 C -0.8741(8) 0.5989(5) 0.4720(6) 0.062(2) Uani 1 1 d . . . . .
N6 N -0.8362(5) 0.4006(4) 0.2635(5) 0.0575(18) Uani 1 1 d . . . . .
O7 O -0.4995(5) 1.0097(4) 0.7478(8) 0.121(4) Uani 1 1 d . . . . .
C7 C -0.7218(7) 0.6184(4) 0.5021(5) 0.056(2) Uani 1 1 d . . . . .
N7 N -0.8038(5) 0.3329(4) 0.2913(4) 0.0599(19) Uani 1 1 d . . . . .
H7A H -0.7743 0.3202 0.3506 0.072 Uiso 1 1 calc R U . . .
O8 O -0.7064(5) 0.7832(4) 0.3091(5) 0.088(2) Uani 1 1 d . . . . .
C8 C -0.6259(7) 0.6182(4) 0.4976(5) 0.060(2) Uani 1 1 d . . . . .
O9 O -0.3292(5) 0.7583(4) 0.4595(6) 0.093(2) Uani 1 1 d . . . . .
C9 C -0.5206(7) 0.6184(5) 0.4202(7) 0.073(3) Uani 1 1 d . . . . .
H9A H -0.4983 0.6201 0.3684 0.088 Uiso 1 1 calc R U . . .
O10 O -0.5373(5) 0.7636(3) 0.6832(4) 0.0674(16) Uani 1 1 d . . . . .
C10 C -0.5406(8) 0.6120(5) 0.5744(6) 0.080(3) Uani 1 1 d . . . . .
H10A H -0.5362 0.6087 0.6389 0.096 Uiso 1 1 calc R U . . .
O11 O -0.8734(4) 1.0181(4) 0.3688(6) 0.084(2) Uani 1 1 d . . . . .
C11 C -1.0931(5) 0.3167(4) 0.0217(5) 0.0418(16) Uani 1 1 d . . . . .
O12 O -0.5147(4) 0.8177(4) 0.3852(4) 0.0768(19) Uani 1 1 d . . . . .
C12 C -1.0205(5) 0.3174(4) -0.0172(5) 0.0388(15) Uani 1 1 d . . . . .
O13 O -0.6102(4) 0.9014(4) 0.6541(7) 0.103(3) Uani 1 1 d . . . . .
C13 C -1.0669(5) 0.3331(3) -0.1157(5) 0.0358(15) Uani 1 1 d . . . . .
O14 O -0.3767(6) 0.8941(4) 0.3669(4) 0.099(3) Uani 1 1 d . . . . .
C14 C -1.0910(6) 0.3019(6) 0.1221(6) 0.067(3) Uani 1 1 d . . . . .
H14A H -1.0261 0.2912 0.1633 0.100 Uiso 1 1 calc R U . . .
H14B H -1.1139 0.3442 0.1463 0.100 Uiso 1 1 calc R U . . .
H14C H -1.1317 0.2608 0.1213 0.100 Uiso 1 1 calc R U . . .
O15 O -0.7367(5) 0.9140(3) 0.3892(4) 0.0710(18) Uani 1 1 d . . . . .
C15 C -1.0233(6) 0.3387(5) -0.1924(5) 0.056(2) Uani 1 1 d . . . . .
H15A H -0.9552 0.3294 -0.1648 0.083 Uiso 1 1 calc R U . . .
H15B H -1.0526 0.3032 -0.2422 0.083 Uiso 1 1 calc R U . . .
H15C H -1.0339 0.3869 -0.2200 0.083 Uiso 1 1 calc R U . . .
O16 O -0.7301(6) 0.9943(4) 0.5420(5) 0.090(2) Uani 1 1 d . . . . .
C16 C -0.9146(5) 0.3014(4) 0.0315(5) 0.0427(17) Uani 1 1 d . . . . .
H16A H -0.9049 0.2490 0.0305 0.051 Uiso 1 1 calc R U . . .
H16B H -0.8796 0.3242 -0.0059 0.051 Uiso 1 1 calc R U . . .
O17 O -0.4273(4) 0.8099(4) 0.5731(4) 0.0682(18) Uani 1 1 d . . . . .
C17 C -0.8229(5) 0.2867(4) 0.2144(5) 0.0474(18) Uani 1 1 d . . . . .
O18 O -0.6854(5) 1.0219(3) 0.1308(4) 0.0707(18) Uani 1 1 d . . . . .
C18 C -0.8725(5) 0.3277(4) 0.1344(5) 0.0376(15) Uani 1 1 d . . . . .
O19 O -0.7241(5) 1.0347(3) 0.2980(5) 0.077(2) Uani 1 1 d . . . . .
C19 C -0.8794(5) 0.3976(4) 0.1684(6) 0.0466(18) Uani 1 1 d . . . . .
O20 O -0.6827(4) 1.0081(3) 0.7426(4) 0.0564(14) Uani 1 1 d . . . . .
C20 C -0.9227(7) 0.4650(5) 0.1103(7) 0.070(3) Uani 1 1 d . . . . .
H20A H -0.9506 0.4522 0.0429 0.105 Uiso 1 1 calc R U . . .
H20B H -0.9718 0.4845 0.1322 0.105 Uiso 1 1 calc R U . . .
H20C H -0.8732 0.5010 0.1187 0.105 Uiso 1 1 calc R U . . .
C21 C -0.7916(7) 0.2082(5) 0.2260(7) 0.077(3) Uani 1 1 d . . . . .
H21A H -0.8119 0.1849 0.1636 0.115 Uiso 1 1 calc R U . . .
H21B H -0.7226 0.2057 0.2549 0.115 Uiso 1 1 calc R U . . .
H21C H -0.8203 0.1836 0.2669 0.115 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
P1 O1' 1.479(8) 3_476 ?
P1 O1' 1.479(8) . ?
P1 O2 1.497(8) . ?
P1 O2 1.497(8) 3_476 ?
P1 O1 1.558(8) . ?
P1 O1 1.558(8) 3_476 ?
P1 O2' 1.604(8) 3_476 ?
P1 O2' 1.604(8) . ?
Mo1 O20 1.658(5) . ?
Mo1 O7 1.817(8) . ?
Mo1 O14 1.879(7) 3_476 ?
Mo1 O13 1.940(7) . ?
Mo1 O16 1.955(7) . ?
Mo1 O2' 2.432(8) 3_476 ?
Mo1 O1 2.495(8) 3_476 ?
O1' O2 1.601(11) 3_476 ?
O1' O1 1.722(11) . ?
O1' Mo5 2.436(8) 3_476 ?
O1' Mo6 2.495(8) 3_476 ?
O1 O2 1.745(12) . ?
O1 Mo6 2.422(8) 3_476 ?
O1 Mo2 2.432(8) . ?
O1 Mo1 2.495(8) 3_476 ?
Ag1 N5 2.134(5) 3_365 ?
Ag1 N3 2.173(6) . ?
Ag1 Ag2 3.2165(10) . ?
C1 N1 1.346(14) . ?
C1 C2 1.398(16) . ?
C1 C6 1.412(12) . ?
S1 C10 1.671(13) . ?
S1 C9 1.698(9) . ?
N1 C7 1.343(11) . ?
O1W H2WA 0.8357 . ?
O1W H2WB 0.8451 . ?
Mo2 O9 1.652(6) . ?
Mo2 O3 1.814(7) . ?
Mo2 O17 1.864(5) . ?
Mo2 O14 1.934(6) . ?
Mo2 O12 1.973(6) . ?
O2' Mo3 2.399(8) . ?
O2' Mo4 2.431(8) 3_476 ?
O2' Mo1 2.432(8) 3_476 ?
O2 O1' 1.601(11) 3_476 ?
O2 Mo5 2.400(8) . ?
Ag2 N6 2.115(6) . ?
Ag2 N2 2.120(6) . ?
C2 C3 1.368(18) . ?
C2 H2A 0.9300 . ?
N2 C7 1.324(10) . ?
N2 C6 1.382(12) . ?
Mo3 O18 1.642(5) . ?
Mo3 O19 1.816(6) . ?
Mo3 O4 1.865(7) . ?
Mo3 O6 1.933(6) . ?
Mo3 O7 1.952(7) 3_476 ?
O3 Mo6 1.968(6) 3_476 ?
C3 C4 1.390(16) . ?
C3 H3A 0.9300 . ?
N3 C9 1.299(12) . ?
N3 C8 1.390(11) . ?
Mo4 O10 1.641(5) . ?
Mo4 O5 1.859(6) . ?
Mo4 O13 1.863(6) . ?
Mo4 O17 1.931(5) . ?
Mo4 O4 1.937(7) 3_476 ?
Mo4 O2' 2.431(8) 3_476 ?
O4 Mo4 1.937(7) 3_476 ?
C4 C5 1.409(14) . ?
C4 H4A 0.9300 . ?
N4 C11 1.344(8) . ?
N4 N5 1.349(8) . ?
N4 H4B 0.8600 . ?
Mo5 O8 1.653(6) . ?
Mo5 O6 1.870(6) . ?
Mo5 O12 1.879(6) . ?
Mo5 O5 1.920(5) . ?
Mo5 O15 1.934(6) . ?
Mo5 O1' 2.436(8) 3_476 ?
C5 C6 1.370(14) . ?
C5 H5A 0.9300 . ?
N5 C13 1.328(9) . ?
N5 Ag1 2.134(5) 3_365 ?
Mo6 O11 1.633(6) . ?
Mo6 O16 1.829(6) . ?
Mo6 O15 1.832(6) . ?
Mo6 O19 1.955(6) . ?
Mo6 O3 1.968(6) 3_476 ?
Mo6 O1 2.422(8) 3_476 ?
Mo6 O1' 2.494(8) 3_476 ?
N6 C19 1.322(10) . ?
N6 N7 1.337(10) . ?
O7 Mo3 1.952(7) 3_476 ?
C7 C8 1.442(13) . ?
N7 C17 1.361(10) . ?
N7 H7A 0.8600 . ?
C8 C10 1.373(11) . ?
C9 H9A 0.9300 . ?
C10 H10A 0.9300 . ?
C11 C12 1.380(10) . ?
C11 C14 1.492(10) . ?
C12 C13 1.400(9) . ?
C12 C16 1.506(9) . ?
C13 C15 1.487(10) . ?
O14 Mo1 1.879(7) 3_476 ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 C18 1.501(9) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 C18 1.372(10) . ?
C17 C21 1.498(12) . ?
C18 C19 1.388(10) . ?
C19 C20 1.507(11) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1' P1 O1' 180.0 3_476 . ?
O1' P1 O2 65.1(4) 3_476 . ?
O1' P1 O2 114.9(4) . . ?
O1' P1 O2 114.9(4) 3_476 3_476 ?
O1' P1 O2 65.1(4) . 3_476 ?
O2 P1 O2 180.0 . 3_476 ?
O1' P1 O1 111.0(4) 3_476 . ?
O1' P1 O1 69.0(4) . . ?
O2 P1 O1 69.6(4) . . ?
O2 P1 O1 110.4(4) 3_476 . ?
O1' P1 O1 69.0(4) 3_476 3_476 ?
O1' P1 O1 111.0(4) . 3_476 ?
O2 P1 O1 110.4(4) . 3_476 ?
O2 P1 O1 69.6(4) 3_476 3_476 ?
O1 P1 O1 180.0 . 3_476 ?
O1' P1 O2' 107.6(4) 3_476 3_476 ?
O1' P1 O2' 72.4(4) . 3_476 ?
O2 P1 O2' 72.3(4) . 3_476 ?
O2 P1 O2' 107.6(4) 3_476 3_476 ?
O1 P1 O2' 104.7(4) . 3_476 ?
O1 P1 O2' 75.3(4) 3_476 3_476 ?
O1' P1 O2' 72.4(4) 3_476 . ?
O1' P1 O2' 107.6(4) . . ?
O2 P1 O2' 107.7(4) . . ?
O2 P1 O2' 72.3(4) 3_476 . ?
O1 P1 O2' 75.3(4) . . ?
O1 P1 O2' 104.7(4) 3_476 . ?
O2' P1 O2' 180.0 3_476 . ?
O20 Mo1 O7 100.9(4) . . ?
O20 Mo1 O14 101.7(3) . 3_476 ?
O7 Mo1 O14 92.5(4) . 3_476 ?
O20 Mo1 O13 99.8(3) . . ?
O7 Mo1 O13 88.8(3) . . ?
O14 Mo1 O13 157.7(4) 3_476 . ?
O20 Mo1 O16 101.2(3) . . ?
O7 Mo1 O16 157.5(4) . . ?
O14 Mo1 O16 87.1(3) 3_476 . ?
O13 Mo1 O16 83.4(3) . . ?
O20 Mo1 O2' 156.3(3) . 3_476 ?
O7 Mo1 O2' 63.6(3) . 3_476 ?
O14 Mo1 O2' 97.0(3) 3_476 3_476 ?
O13 Mo1 O2' 63.9(3) . 3_476 ?
O16 Mo1 O2' 94.1(3) . 3_476 ?
O20 Mo1 O1 157.4(3) . 3_476 ?
O7 Mo1 O1 97.1(4) . 3_476 ?
O14 Mo1 O1 63.7(3) 3_476 3_476 ?
O13 Mo1 O1 94.1(3) . 3_476 ?
O16 Mo1 O1 62.6(3) . 3_476 ?
O2' Mo1 O1 46.2(3) 3_476 3_476 ?
P1 O1' O2 58.0(4) . 3_476 ?
P1 O1' O1 57.7(4) . . ?
O2 O1' O1 98.0(6) 3_476 . ?
P1 O1' Mo5 127.4(5) . 3_476 ?
O2 O1' Mo5 69.5(4) 3_476 3_476 ?
O1 O1' Mo5 137.9(5) . 3_476 ?
P1 O1' Mo6 124.9(4) . 3_476 ?
O2 O1' Mo6 133.2(5) 3_476 3_476 ?
O1 O1' Mo6 67.3(4) . 3_476 ?
Mo5 O1' Mo6 91.8(3) 3_476 3_476 ?
P1 O1 O1' 53.3(4) . . ?
P1 O1 O2 53.5(4) . . ?
O1' O1 O2 92.7(5) . . ?
P1 O1 Mo6 125.0(4) . 3_476 ?
O1' O1 Mo6 71.8(4) . 3_476 ?
O2 O1 Mo6 141.0(5) . 3_476 ?
P1 O1 Mo2 125.6(5) . . ?
O1' O1 Mo2 135.4(5) . . ?
O2 O1 Mo2 72.2(4) . . ?
Mo6 O1 Mo2 93.7(3) 3_476 . ?
P1 O1 Mo1 118.5(4) . 3_476 ?
O1' O1 Mo1 128.7(5) . 3_476 ?
O2 O1 Mo1 123.7(5) . 3_476 ?
Mo6 O1 Mo1 92.3(3) 3_476 3_476 ?
Mo2 O1 Mo1 92.7(3) . 3_476 ?
N5 Ag1 N3 178.6(3) 3_365 . ?
N5 Ag1 Ag2 100.19(16) 3_365 . ?
N3 Ag1 Ag2 78.4(2) . . ?
N1 C1 C2 133.5(10) . . ?
N1 C1 C6 107.0(9) . . ?
C2 C1 C6 119.5(12) . . ?
C10 S1 C9 90.4(5) . . ?
C7 N1 C1 107.6(8) . . ?
H2WA O1W H2WB 109.5 . . ?
O9 Mo2 O3 102.4(4) . . ?
O9 Mo2 O17 102.0(4) . . ?
O3 Mo2 O17 93.3(3) . . ?
O9 Mo2 O14 102.4(4) . . ?
O3 Mo2 O14 89.2(3) . . ?
O17 Mo2 O14 154.4(3) . . ?
O9 Mo2 O12 100.5(3) . . ?
O3 Mo2 O12 156.7(4) . . ?
O17 Mo2 O12 85.9(3) . . ?
O14 Mo2 O12 81.9(3) . . ?
O9 Mo2 O1 159.9(3) . . ?
O3 Mo2 O1 64.0(3) . . ?
O17 Mo2 O1 93.9(3) . . ?
O14 Mo2 O1 64.4(3) . . ?
O12 Mo2 O1 92.8(3) . . ?
P1 O2' Mo3 123.0(4) . . ?
P1 O2' Mo4 123.7(4) . 3_476 ?
Mo3 O2' Mo4 95.2(3) . 3_476 ?
P1 O2' Mo1 119.8(4) . 3_476 ?
Mo3 O2' Mo1 94.1(3) . 3_476 ?
Mo4 O2' Mo1 93.5(3) 3_476 3_476 ?
P1 O2 O1' 56.9(4) . 3_476 ?
P1 O2 O1 56.8(4) . . ?
O1' O2 O1 96.8(6) 3_476 . ?
P1 O2 Mo5 128.7(5) . . ?
O1' O2 Mo5 71.9(4) 3_476 . ?
O1 O2 Mo5 135.1(5) . . ?
N6 Ag2 N2 167.6(3) . . ?
N6 Ag2 Ag1 120.65(19) . . ?
N2 Ag2 Ag1 68.84(19) . . ?
C3 C2 C1 117.9(11) . . ?
C3 C2 H2A 121.0 . . ?
C1 C2 H2A 121.0 . . ?
C7 N2 C6 106.4(7) . . ?
C7 N2 Ag2 126.8(6) . . ?
C6 N2 Ag2 118.4(6) . . ?
O18 Mo3 O19 103.8(3) . . ?
O18 Mo3 O4 102.0(4) . . ?
O19 Mo3 O4 93.3(3) . . ?
O18 Mo3 O6 100.5(3) . . ?
O19 Mo3 O6 89.0(3) . . ?
O4 Mo3 O6 156.1(4) . . ?
O18 Mo3 O7 99.8(4) . 3_476 ?
O19 Mo3 O7 156.2(4) . 3_476 ?
O4 Mo3 O7 85.3(3) . 3_476 ?
O6 Mo3 O7 83.1(3) . 3_476 ?
O18 Mo3 O2' 156.8(3) . . ?
O19 Mo3 O2' 95.4(3) . . ?
O4 Mo3 O2' 63.3(4) . . ?
O6 Mo3 O2' 92.8(3) . . ?
O7 Mo3 O2' 62.8(3) 3_476 . ?
Mo2 O3 Mo6 138.9(5) . 3_476 ?
C2 C3 C4 122.5(12) . . ?
C2 C3 H3A 118.8 . . ?
C4 C3 H3A 118.8 . . ?
C9 N3 C8 111.7(7) . . ?
C9 N3 Ag1 123.7(6) . . ?
C8 N3 Ag1 124.4(6) . . ?
O10 Mo4 O5 102.1(3) . . ?
O10 Mo4 O13 101.3(4) . . ?
O5 Mo4 O13 90.0(3) . . ?
O10 Mo4 O17 102.7(3) . . ?
O5 Mo4 O17 88.0(3) . . ?
O13 Mo4 O17 155.8(3) . . ?
O10 Mo4 O4 102.0(4) . 3_476 ?
O5 Mo4 O4 155.9(4) . 3_476 ?
O13 Mo4 O4 87.5(3) . 3_476 ?
O17 Mo4 O4 84.6(3) . 3_476 ?
O10 Mo4 O2' 157.7(3) . 3_476 ?
O5 Mo4 O2' 95.5(3) . 3_476 ?
O13 Mo4 O2' 64.8(3) . 3_476 ?
O17 Mo4 O2' 91.4(3) . 3_476 ?
O4 Mo4 O2' 61.8(3) 3_476 3_476 ?
Mo3 O4 Mo4 139.5(6) . 3_476 ?
C3 C4 C5 120.6(12) . . ?
C3 C4 H4A 119.7 . . ?
C5 C4 H4A 119.7 . . ?
C11 N4 N5 111.5(6) . . ?
C11 N4 H4B 124.2 . . ?
N5 N4 H4B 124.2 . . ?
O8 Mo5 O6 100.9(4) . . ?
O8 Mo5 O12 101.2(3) . . ?
O6 Mo5 O12 91.4(3) . . ?
O8 Mo5 O5 102.1(4) . . ?
O6 Mo5 O5 156.5(3) . . ?
O12 Mo5 O5 88.8(2) . . ?
O8 Mo5 O15 100.8(3) . . ?
O6 Mo5 O15 86.8(2) . . ?
O12 Mo5 O15 157.8(3) . . ?
O5 Mo5 O15 84.2(3) . . ?
O8 Mo5 O2 162.3(4) . . ?
O6 Mo5 O2 92.2(3) . . ?
O12 Mo5 O2 66.1(3) . . ?
O5 Mo5 O2 66.6(3) . . ?
O15 Mo5 O2 91.8(3) . . ?
O8 Mo5 O1' 159.0(3) . 3_476 ?
O6 Mo5 O1' 65.7(3) . 3_476 ?
O12 Mo5 O1' 95.4(3) . 3_476 ?
O5 Mo5 O1' 90.9(3) . 3_476 ?
O15 Mo5 O1' 63.8(3) . 3_476 ?
O2 Mo5 O1' 38.7(3) . 3_476 ?
Mo4 O5 Mo5 138.6(4) . . ?
C6 C5 C4 116.7(10) . . ?
C6 C5 H5A 121.6 . . ?
C4 C5 H5A 121.6 . . ?
C13 N5 N4 105.9(5) . . ?
C13 N5 Ag1 130.2(5) . 3_365 ?
N4 N5 Ag1 123.5(5) . 3_365 ?
O11 Mo6 O16 103.6(4) . . ?
O11 Mo6 O15 103.0(3) . . ?
O16 Mo6 O15 93.1(3) . . ?
O11 Mo6 O19 100.5(4) . . ?
O16 Mo6 O19 155.2(3) . . ?
O15 Mo6 O19 87.5(3) . . ?
O11 Mo6 O3 100.3(4) . 3_476 ?
O16 Mo6 O3 87.5(3) . 3_476 ?
O15 Mo6 O3 155.9(3) . 3_476 ?
O19 Mo6 O3 82.1(3) . 3_476 ?
O11 Mo6 O1 158.9(3) . 3_476 ?
O16 Mo6 O1 65.7(3) . 3_476 ?
O15 Mo6 O1 95.9(3) . 3_476 ?
O19 Mo6 O1 89.6(3) . 3_476 ?
O3 Mo6 O1 62.5(3) 3_476 3_476 ?
O11 Mo6 O1' 159.5(3) . 3_476 ?
O16 Mo6 O1' 93.1(3) . 3_476 ?
O15 Mo6 O1' 63.6(3) . 3_476 ?
O19 Mo6 O1' 65.0(3) . 3_476 ?
O3 Mo6 O1' 92.3(3) 3_476 3_476 ?
O1 Mo6 O1' 41.0(3) 3_476 3_476 ?
Mo5 O6 Mo3 139.0(3) . . ?
C5 C6 N2 130.3(8) . . ?
C5 C6 C1 122.8(10) . . ?
N2 C6 C1 107.0(9) . . ?
C19 N6 N7 106.0(6) . . ?
C19 N6 Ag2 125.4(6) . . ?
N7 N6 Ag2 127.7(5) . . ?
Mo1 O7 Mo3 139.4(5) . 3_476 ?
N2 C7 N1 111.9(9) . . ?
N2 C7 C8 125.8(7) . . ?
N1 C7 C8 122.3(8) . . ?
N6 N7 C17 111.7(6) . . ?
N6 N7 H7A 124.1 . . ?
C17 N7 H7A 124.1 . . ?
C10 C8 N3 112.2(10) . . ?
C10 C8 C7 126.7(9) . . ?
N3 C8 C7 121.0(7) . . ?
N3 C9 S1 114.2(8) . . ?
N3 C9 H9A 122.9 . . ?
S1 C9 H9A 122.9 . . ?
C8 C10 S1 111.5(8) . . ?
C8 C10 H10A 124.3 . . ?
S1 C10 H10A 124.3 . . ?
N4 C11 C12 106.9(6) . . ?
N4 C11 C14 121.6(7) . . ?
C12 C11 C14 131.4(6) . . ?
Mo5 O12 Mo2 137.2(4) . . ?
C11 C12 C13 105.0(6) . . ?
C11 C12 C16 129.1(6) . . ?
C13 C12 C16 125.8(6) . . ?
Mo4 O13 Mo1 137.2(4) . . ?
N5 C13 C12 110.5(6) . . ?
N5 C13 C15 121.5(6) . . ?
C12 C13 C15 127.9(7) . . ?
Mo1 O14 Mo2 138.5(4) 3_476 . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Mo6 O15 Mo5 140.2(4) . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Mo6 O16 Mo1 139.2(4) . . ?
C18 C16 C12 114.6(6) . . ?
C18 C16 H16A 108.6 . . ?
C12 C16 H16A 108.6 . . ?
C18 C16 H16B 108.6 . . ?
C12 C16 H16B 108.6 . . ?
H16A C16 H16B 107.6 . . ?
Mo2 O17 Mo4 140.7(3) . . ?
N7 C17 C18 105.6(7) . . ?
N7 C17 C21 122.2(7) . . ?
C18 C17 C21 132.2(7) . . ?
C17 C18 C19 106.2(6) . . ?
C17 C18 C16 126.9(7) . . ?
C19 C18 C16 126.9(7) . . ?
Mo3 O19 Mo6 139.3(4) . . ?
N6 C19 C18 110.5(7) . . ?
N6 C19 C20 121.4(7) . . ?
C18 C19 C20 128.1(7) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C17 C21 H21A 109.5 . . ?
C17 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C17 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?

_refine_diff_density_max         1.095
_refine_diff_density_min         -1.128
_refine_diff_density_rms         0.133

