# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2014


data_120328_12_3_22_1

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C98 H84 Ag6 N20 O21 S4'
_chemical_formula_weight         2653.31

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           ?
_symmetry_space_group_name_H-M   ?

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.6768(4)
_cell_length_b                   12.6832(4)
_cell_length_c                   19.6770(9)
_cell_angle_alpha                84.345(3)
_cell_angle_beta                 75.994(3)
_cell_angle_gamma                76.864(3)
_cell_volume                     2515.04(17)
_cell_formula_units_Z            1
_cell_measurement_temperature    295(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.22
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.752
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1326
_exptl_absorpt_coefficient_mu    1.310
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.7026
_exptl_absorpt_correction_T_max  0.7615
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      295(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            15742
_diffrn_reflns_av_R_equivalents  0.0206
_diffrn_reflns_av_sigmaI/netI    0.0373
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         3.20
_diffrn_reflns_theta_max         25.10
_reflns_number_total             8940
_reflns_number_gt                6935
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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     
'calc w=1/[σ²(Fo²)+(0.0432P)²+2.9219P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8940
_refine_ls_number_parameters     695
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0585
_refine_ls_R_factor_gt           0.0408
_refine_ls_wR_factor_ref         0.1034
_refine_ls_wR_factor_gt          0.0933
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_restrained_S_all      1.022
_refine_ls_shift/su_max          0.002
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.56688(4) -0.15100(3) 0.76535(2) 0.06197(13) Uani 1 1 d . . .
Ag2 Ag 0.25029(4) -0.05405(3) 0.71267(2) 0.06705(14) Uani 1 1 d . . .
Ag3 Ag 0.10623(3) 0.26958(3) 0.711707(19) 0.05428(12) Uani 1 1 d . . .
S1 S 0.42521(10) 0.28957(9) 0.63284(6) 0.0474(3) Uani 1 1 d . . .
S2 S 0.25564(10) -0.24419(9) 0.86231(6) 0.0430(2) Uani 1 1 d . . .
N1 N 0.5700(3) -0.1695(3) 0.65412(18) 0.0432(8) Uani 1 1 d . . .
N2 N 0.5915(3) -0.2656(3) 0.62487(18) 0.0391(8) Uani 1 1 d . . .
N3 N 1.0543(3) -0.5775(3) 0.84022(19) 0.0468(9) Uani 1 1 d . . .
N4 N 1.0578(3) -0.6794(3) 0.82433(19) 0.0474(9) Uani 1 1 d . . .
N5 N 0.2377(3) -0.1840(3) 0.65165(18) 0.0414(8) Uani 1 1 d . . .
N6 N 0.2641(3) -0.1825(3) 0.58090(18) 0.0392(8) Uani 1 1 d . . .
N7 N -0.0074(3) 0.3143(3) 0.62933(19) 0.0420(8) Uani 1 1 d . . .
N8 N -0.1392(3) 0.3288(2) 0.6407(2) 0.0423(8) Uani 1 1 d . . .
N9 N -0.1791(3) -0.1988(2) 0.82959(19) 0.0402(8) Uani 1 1 d . . .
O1 O 0.4325(4) 0.0239(3) 0.7735(3) 0.1063(16) Uani 1 1 d . . .
O2 O 0.2633(3) 0.1090(2) 0.7324(2) 0.0703(10) Uani 1 1 d . . .
O3 O 0.2951(3) 0.3270(3) 0.62097(19) 0.0791(11) Uani 1 1 d . . .
O4 O 0.4912(4) 0.1833(3) 0.6152(2) 0.0900(13) Uani 1 1 d . . .
O5 O 0.5080(4) 0.3680(4) 0.6014(2) 0.0836(12) Uani 1 1 d . . .
O6 O 0.3712(11) -0.4023(6) 1.0526(4) 0.230(5) Uani 1 1 d . . .
O7 O 0.4557(7) -0.4041(6) 0.9443(4) 0.066(3) Uani 0.517(10) 1 d PD A 1
O7' O 0.3152(9) -0.4270(6) 0.9772(6) 0.097(4) Uani 0.483(10) 1 d PD A 1
H7A H 0.482(6) -0.393(5) 0.978(2) 0.080 Uiso 1 1 d D . .
O8 O 0.1711(3) -0.1615(3) 0.82783(19) 0.0693(9) Uani 1 1 d . . .
O9 O 0.1937(3) -0.3347(3) 0.88848(18) 0.0642(9) Uani 1 1 d . . .
O10 O 0.3871(3) -0.2743(3) 0.82053(17) 0.0606(9) Uani 1 1 d . . .
C1 C 0.5674(4) -0.0942(4) 0.6005(3) 0.0523(11) Uani 1 1 d . . .
C2 C 0.5878(4) -0.1439(4) 0.5373(3) 0.0551(12) Uani 1 1 d . . .
C3 C 0.6029(4) -0.2543(4) 0.5548(2) 0.0491(11) Uani 1 1 d . . .
C4 C 0.5962(4) -0.3653(3) 0.6696(2) 0.0422(10) Uani 1 1 d . . .
H4A H 0.5940 -0.4243 0.6423 0.051 Uiso 1 1 calc R . .
H4B H 0.5183 -0.3562 0.7078 0.051 Uiso 1 1 calc R . .
C5 C 0.7177(4) -0.3955(3) 0.6997(2) 0.0350(9) Uani 1 1 d . . .
C6 C 0.8425(4) -0.3981(3) 0.6580(2) 0.0429(10) Uani 1 1 d . . .
H6 H 0.8523 -0.3777 0.6106 0.052 Uiso 1 1 calc R . .
C7 C 0.9532(4) -0.4308(3) 0.6859(2) 0.0450(10) Uani 1 1 d . . .
H7 H 1.0365 -0.4323 0.6569 0.054 Uiso 1 1 calc R . .
C8 C 0.9420(4) -0.4609(3) 0.7556(2) 0.0381(9) Uani 1 1 d . . .
C9 C 0.8170(4) -0.4581(3) 0.7976(2) 0.0431(10) Uani 1 1 d . . .
H9 H 0.8076 -0.4785 0.8450 0.052 Uiso 1 1 calc R . .
C10 C 0.7058(4) -0.4253(3) 0.7700(2) 0.0426(10) Uani 1 1 d . . .
H10 H 0.6225 -0.4233 0.7991 0.051 Uiso 1 1 calc R . .
C11 C 1.0640(4) -0.4932(4) 0.7847(3) 0.0519(11) Uani 1 1 d . . .
H11A H 1.1394 -0.5188 0.7471 0.062 Uiso 1 1 calc R . .
H11B H 1.0793 -0.4300 0.8029 0.062 Uiso 1 1 calc R . .
C12 C 1.0282(6) -0.5671(5) 0.9086(3) 0.0741(16) Uani 1 1 d . . .
H12 H 1.0216 -0.5042 0.9310 0.089 Uiso 1 1 calc R . .
C13 C 1.0130(5) -0.6635(6) 0.9399(3) 0.0793(18) Uani 1 1 d . . .
H13 H 0.9927 -0.6807 0.9878 0.095 Uiso 1 1 calc R . .
C14 C 1.0339(5) -0.7319(5) 0.8859(3) 0.0683(15) Uani 1 1 d . . .
H14 H 1.0315 -0.8051 0.8921 0.082 Uiso 1 1 calc R . .
C15 C 0.3613(5) 0.1068(3) 0.7568(2) 0.0488(11) Uani 1 1 d . . .
C16 C 0.3864(4) 0.2130(3) 0.7726(2) 0.0402(9) Uani 1 1 d . . .
C17 C 0.4079(3) 0.2985(3) 0.7245(2) 0.0370(9) Uani 1 1 d . . .
C18 C 0.4188(4) 0.3959(3) 0.7472(3) 0.0514(12) Uani 1 1 d . . .
H18 H 0.4328 0.4526 0.7144 0.062 Uiso 1 1 calc R . .
C19 C 0.4093(5) 0.4103(5) 0.8158(3) 0.0719(16) Uani 1 1 d . . .
H19 H 0.4144 0.4767 0.8300 0.086 Uiso 1 1 calc R . .
C20 C 0.3925(5) 0.3266(5) 0.8636(3) 0.0738(16) Uani 1 1 d . . .
H20 H 0.3881 0.3353 0.9105 0.089 Uiso 1 1 calc R . .
C21 C 0.3818(5) 0.2287(4) 0.8427(3) 0.0601(13) Uani 1 1 d . . .
H21 H 0.3714 0.1721 0.8760 0.072 Uiso 1 1 calc R . .
C22 C 0.3656(6) -0.3578(5) 0.9982(3) 0.0772(17) Uani 1 1 d D A .
C23 C 0.3121(4) -0.2390(4) 0.9936(3) 0.0563(12) Uani 1 1 d . . .
C24 C 0.2683(4) -0.1826(4) 0.9375(2) 0.0504(11) Uani 1 1 d . A .
C25 C 0.2334(7) -0.0699(4) 0.9365(3) 0.091(2) Uani 1 1 d . . .
H25 H 0.2037 -0.0323 0.8985 0.110 Uiso 1 1 calc R A .
C26 C 0.2419(10) -0.0138(6) 0.9899(4) 0.130(3) Uani 1 1 d . A .
H26 H 0.2198 0.0616 0.9878 0.156 Uiso 1 1 calc R . .
C27 C 0.2830(9) -0.0684(7) 1.0468(4) 0.113(3) Uani 1 1 d . . .
H27 H 0.2864 -0.0300 1.0840 0.135 Uiso 1 1 calc R A .
C28 C 0.3194(6) -0.1796(6) 1.0492(3) 0.0831(18) Uani 1 1 d . A .
H28 H 0.3490 -0.2159 1.0876 0.100 Uiso 1 1 calc R . .
C29 C 0.2529(4) -0.2885(3) 0.6715(2) 0.0440(10) Uani 1 1 d . . .
H29 H 0.2417 -0.3147 0.7179 0.053 Uiso 1 1 calc R . .
C30 C 0.2874(4) -0.3530(3) 0.6149(3) 0.0468(11) Uani 1 1 d . . .
H30 H 0.3022 -0.4282 0.6155 0.056 Uiso 1 1 calc R . .
C31 C 0.2950(4) -0.2826(3) 0.5578(2) 0.0478(11) Uani 1 1 d . . .
H31 H 0.3178 -0.3010 0.5111 0.057 Uiso 1 1 calc R . .
C32 C 0.2522(4) -0.0813(3) 0.5386(3) 0.0514(11) Uani 1 1 d . . .
H32A H 0.3194 -0.0914 0.4953 0.062 Uiso 1 1 calc R . .
H32B H 0.2700 -0.0262 0.5636 0.062 Uiso 1 1 calc R . .
C33 C 0.1192(4) -0.0403(3) 0.5207(2) 0.0413(9) Uani 1 1 d . . .
C34 C 0.0766(5) 0.0669(4) 0.5082(3) 0.0695(16) Uani 1 1 d . . .
H34 H 0.1272 0.1147 0.5139 0.083 Uiso 1 1 calc R . .
C35 C 0.0403(5) -0.1073(4) 0.5127(4) 0.0771(18) Uani 1 1 d . . .
H35 H 0.0660 -0.1815 0.5216 0.092 Uiso 1 1 calc R . .
C36 C 0.0307(4) 0.3515(3) 0.5634(2) 0.0492(11) Uani 1 1 d . . .
H36 H 0.1178 0.3521 0.5408 0.059 Uiso 1 1 calc R . .
C37 C -0.0761(5) 0.3889(4) 0.5333(3) 0.0561(12) Uani 1 1 d . . .
H37 H -0.0752 0.4188 0.4881 0.067 Uiso 1 1 calc R . .
C38 C -0.1822(5) 0.3729(3) 0.5835(3) 0.0502(11) Uani 1 1 d . . .
H38 H -0.2694 0.3895 0.5792 0.060 Uiso 1 1 calc R . .
C39 C -0.2159(4) 0.2956(3) 0.7078(3) 0.0520(12) Uani 1 1 d . . .
H39A H -0.3092 0.3206 0.7089 0.062 Uiso 1 1 calc R . .
H39B H -0.1965 0.3295 0.7451 0.062 Uiso 1 1 calc R . .
C40 C -0.1861(4) 0.1743(3) 0.7207(2) 0.0405(10) Uani 1 1 d . . .
C41 C -0.1183(4) 0.1275(3) 0.7713(2) 0.0496(11) Uani 1 1 d . . .
H41 H -0.0920 0.1714 0.7979 0.059 Uiso 1 1 calc R . .
C42 C -0.0890(4) 0.0157(3) 0.7828(2) 0.0506(11) Uani 1 1 d . . .
H42 H -0.0416 -0.0148 0.8164 0.061 Uiso 1 1 calc R . .
C43 C -0.1297(4) -0.0500(3) 0.7448(2) 0.0409(10) Uani 1 1 d . . .
C44 C -0.1948(5) -0.0033(4) 0.6937(3) 0.0604(13) Uani 1 1 d . . .
H44 H -0.2201 -0.0472 0.6667 0.073 Uiso 1 1 calc R . .
C45 C -0.2236(5) 0.1081(4) 0.6815(3) 0.0641(14) Uani 1 1 d . . .
H45 H -0.2683 0.1381 0.6468 0.077 Uiso 1 1 calc R . .
C46 C -0.1045(4) -0.1702(3) 0.7606(2) 0.0505(11) Uani 1 1 d . . .
H46A H -0.1283 -0.2051 0.7252 0.061 Uiso 1 1 calc R . .
H46B H -0.0110 -0.1973 0.7581 0.061 Uiso 1 1 calc R . .
C47 C -0.1324(5) -0.2380(4) 0.8857(3) 0.0521(11) Uani 1 1 d . . .
H47 H -0.0443 -0.2534 0.8884 0.063 Uiso 1 1 calc R . .
C48 C -0.2364(5) -0.2517(5) 0.9385(3) 0.0688(14) Uani 1 1 d . . .
H48 H -0.2347 -0.2783 0.9841 0.083 Uiso 1 1 calc R . .
N10 N -0.3118(3) -0.1856(3) 0.84329(19) 0.0451(8) Uani 1 1 d . . .
C49 C -0.3448(5) -0.2175(4) 0.9098(3) 0.0636(13) Uani 1 1 d . . .
H49 H -0.4312 -0.2170 0.9343 0.076 Uiso 1 1 calc R . .
O1W O 0.5921(14) 0.5148(8) 0.5140(7) 0.132(4) Uani 0.50 1 d PD . .
H1A H 0.565(11) 0.539(7) 0.477(3) 0.080 Uiso 0.50 1 d PD . .
H1B H 0.564(11) 0.457(6) 0.528(5) 0.080 Uiso 0.50 1 d PD . .


_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 N10 2.189(4) 1_655 ?
Ag1 N1 2.216(3) . ?
Ag1 O1 2.349(3) . ?
Ag2 N5 2.178(3) . ?
Ag2 O2 2.182(3) . ?
Ag2 O8 2.587(4) . ?
Ag3 N7 2.209(3) . ?
Ag3 N4 2.275(4) 1_465 ?
Ag3 O2 2.396(3) . ?
Ag3 O3 2.540(4) . ?
S1 O4 1.405(4) . ?
S1 O3 1.430(3) . ?
S1 O5 1.472(4) . ?
S1 C17 1.781(4) . ?
S2 O10 1.433(3) . ?
S2 O9 1.444(3) . ?
S2 O8 1.450(3) . ?
S2 C24 1.786(5) . ?
N1 N2 1.348(4) . ?
N1 C1 1.353(6) . ?
N2 C3 1.350(5) . ?
N2 C4 1.466(5) . ?
N3 C12 1.320(6) . ?
N3 N4 1.349(5) . ?
N3 C11 1.453(6) . ?
N4 C14 1.321(6) . ?
N4 Ag3 2.275(4) 1_645 ?
N5 C29 1.328(5) . ?
N5 N6 1.351(5) . ?
N6 C31 1.333(5) . ?
N6 C32 1.457(5) . ?
N7 C36 1.334(5) . ?
N7 N8 1.343(4) . ?
N8 C38 1.342(6) . ?
N8 C39 1.455(6) . ?
N9 C47 1.327(6) . ?
N9 N10 1.351(4) . ?
N9 C46 1.456(5) . ?
O1 C15 1.217(5) . ?
O2 C15 1.246(5) . ?
O6 C22 1.170(8) . ?
O6 O7' 1.808(12) . ?
O7 C22 1.329(7) . ?
O7 O7' 1.564(12) . ?
O7 H7A 0.824(10) . ?
O7' C22 1.275(7) . ?
C1 C2 1.397(7) . ?
C2 C3 1.392(6) . ?
C4 C5 1.511(5) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C10 1.381(6) . ?
C5 C6 1.381(5) . ?
C6 C7 1.384(6) . ?
C6 H6 0.9300 . ?
C7 C8 1.371(6) . ?
C7 H7 0.9300 . ?
C8 C9 1.384(6) . ?
C8 C11 1.506(6) . ?
C9 C10 1.387(6) . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 C13 1.339(8) . ?
C12 H12 0.9300 . ?
C13 C14 1.381(8) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C15 C16 1.507(6) . ?
C16 C17 1.389(6) . ?
C16 C21 1.401(6) . ?
C17 C18 1.391(6) . ?
C18 C19 1.358(7) . ?
C18 H18 0.9300 . ?
C19 C20 1.360(8) . ?
C19 H19 0.9300 . ?
C20 C21 1.382(7) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C22 C23 1.487(7) . ?
C22 H7A 1.20(6) . ?
C23 C24 1.376(7) . ?
C23 C28 1.415(7) . ?
C24 C25 1.391(7) . ?
C25 C26 1.357(9) . ?
C25 H25 0.9300 . ?
C26 C27 1.369(11) . ?
C26 H26 0.9300 . ?
C27 C28 1.374(9) . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
C29 C30 1.374(6) . ?
C29 H29 0.9300 . ?
C30 C31 1.363(6) . ?
C30 H30 0.9300 . ?
C31 H31 0.9300 . ?
C32 C33 1.511(6) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C33 C34 1.350(6) . ?
C33 C35 1.367(6) . ?
C34 C35 1.381(7) 2_556 ?
C34 H34 0.9300 . ?
C35 C34 1.381(7) 2_556 ?
C35 H35 0.9300 . ?
C36 C37 1.379(6) . ?
C36 H36 0.9300 . ?
C37 C38 1.351(6) . ?
C37 H37 0.9300 . ?
C38 H38 0.9300 . ?
C39 C40 1.508(6) . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
C40 C45 1.374(6) . ?
C40 C41 1.379(6) . ?
C41 C42 1.389(6) . ?
C41 H41 0.9300 . ?
C42 C43 1.374(6) . ?
C42 H42 0.9300 . ?
C43 C44 1.371(6) . ?
C43 C46 1.501(6) . ?
C44 C45 1.385(7) . ?
C44 H44 0.9300 . ?
C45 H45 0.9300 . ?
C46 H46A 0.9700 . ?
C46 H46B 0.9700 . ?
C47 C48 1.354(7) . ?
C47 H47 0.9300 . ?
C48 C49 1.374(7) . ?
C48 H48 0.9300 . ?
N10 C49 1.317(6) . ?
N10 Ag1 2.189(4) 1_455 ?
C49 H49 0.9300 . ?
O1W H1A 0.852(10) . ?
O1W H1B 0.851(10) . ?

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
N10 Ag1 N1 143.46(13) 1_655 . ?
N10 Ag1 O1 112.24(15) 1_655 . ?
N1 Ag1 O1 96.01(16) . . ?
N5 Ag2 O2 156.80(14) . . ?
N5 Ag2 O8 90.39(12) . . ?
O2 Ag2 O8 111.73(14) . . ?
N7 Ag3 N4 130.60(12) . 1_465 ?
N7 Ag3 O2 131.42(12) . . ?
N4 Ag3 O2 93.89(13) 1_465 . ?
N7 Ag3 O3 85.52(11) . . ?
N4 Ag3 O3 120.91(13) 1_465 . ?
O2 Ag3 O3 86.43(13) . . ?
O4 S1 O3 118.0(3) . . ?
O4 S1 O5 111.1(3) . . ?
O3 S1 O5 110.1(2) . . ?
O4 S1 C17 107.6(2) . . ?
O3 S1 C17 105.5(2) . . ?
O5 S1 C17 103.3(2) . . ?
O10 S2 O9 114.0(2) . . ?
O10 S2 O8 112.9(2) . . ?
O9 S2 O8 111.1(2) . . ?
O10 S2 C24 106.6(2) . . ?
O9 S2 C24 106.3(2) . . ?
O8 S2 C24 105.2(2) . . ?
N2 N1 C1 105.5(4) . . ?
N2 N1 Ag1 124.3(3) . . ?
C1 N1 Ag1 129.8(3) . . ?
N1 N2 C3 112.1(3) . . ?
N1 N2 C4 119.6(3) . . ?
C3 N2 C4 128.3(4) . . ?
C12 N3 N4 111.8(4) . . ?
C12 N3 C11 128.3(4) . . ?
N4 N3 C11 119.6(3) . . ?
C14 N4 N3 104.2(4) . . ?
C14 N4 Ag3 133.6(3) . 1_645 ?
N3 N4 Ag3 122.2(3) . 1_645 ?
C29 N5 N6 104.6(3) . . ?
C29 N5 Ag2 126.1(3) . . ?
N6 N5 Ag2 124.9(2) . . ?
C31 N6 N5 111.3(3) . . ?
C31 N6 C32 126.9(4) . . ?
N5 N6 C32 121.8(3) . . ?
C36 N7 N8 104.9(3) . . ?
C36 N7 Ag3 129.4(3) . . ?
N8 N7 Ag3 124.6(3) . . ?
C38 N8 N7 111.1(4) . . ?
C38 N8 C39 128.3(4) . . ?
N7 N8 C39 120.5(4) . . ?
C47 N9 N10 111.4(4) . . ?
C47 N9 C46 127.5(4) . . ?
N10 N9 C46 121.1(4) . . ?
C15 O1 Ag1 159.3(4) . . ?
C15 O2 Ag2 111.1(3) . . ?
C15 O2 Ag3 125.0(3) . . ?
Ag2 O2 Ag3 123.97(15) . . ?
S1 O3 Ag3 117.3(2) . . ?
C22 O6 O7' 44.6(5) . . ?
C22 O7 O7' 51.5(4) . . ?
C22 O7 H7A 63(4) . . ?
O7' O7 H7A 104(5) . . ?
C22 O7' O7 54.7(5) . . ?
C22 O7' O6 40.1(4) . . ?
O7 O7' O6 76.8(5) . . ?
S2 O8 Ag2 125.08(19) . . ?
N1 C1 C2 110.4(4) . . ?
C3 C2 C1 105.4(4) . . ?
N2 C3 C2 106.7(4) . . ?
N2 C4 C5 113.1(3) . . ?
N2 C4 H4A 109.0 . . ?
C5 C4 H4A 109.0 . . ?
N2 C4 H4B 109.0 . . ?
C5 C4 H4B 109.0 . . ?
H4A C4 H4B 107.8 . . ?
C10 C5 C6 118.5(4) . . ?
C10 C5 C4 120.0(3) . . ?
C6 C5 C4 121.5(4) . . ?
C5 C6 C7 120.8(4) . . ?
C5 C6 H6 119.6 . . ?
C7 C6 H6 119.6 . . ?
C8 C7 C6 121.0(4) . . ?
C8 C7 H7 119.5 . . ?
C6 C7 H7 119.5 . . ?
C7 C8 C9 118.5(4) . . ?
C7 C8 C11 119.7(4) . . ?
C9 C8 C11 121.8(4) . . ?
C8 C9 C10 120.8(4) . . ?
C8 C9 H9 119.6 . . ?
C10 C9 H9 119.6 . . ?
C5 C10 C9 120.5(4) . . ?
C5 C10 H10 119.7 . . ?
C9 C10 H10 119.7 . . ?
N3 C11 C8 112.8(3) . . ?
N3 C11 H11A 109.0 . . ?
C8 C11 H11A 109.0 . . ?
N3 C11 H11B 109.0 . . ?
C8 C11 H11B 109.0 . . ?
H11A C11 H11B 107.8 . . ?
N3 C12 C13 107.7(5) . . ?
N3 C12 H12 126.2 . . ?
C13 C12 H12 126.2 . . ?
C12 C13 C14 105.4(5) . . ?
C12 C13 H13 127.3 . . ?
C14 C13 H13 127.3 . . ?
N4 C14 C13 110.9(5) . . ?
N4 C14 H14 124.5 . . ?
C13 C14 H14 124.5 . . ?
O1 C15 O2 124.0(5) . . ?
O1 C15 C16 117.6(5) . . ?
O2 C15 C16 118.1(4) . . ?
C17 C16 C21 117.1(4) . . ?
C17 C16 C15 125.9(4) . . ?
C21 C16 C15 117.0(4) . . ?
C16 C17 C18 120.1(4) . . ?
C16 C17 S1 122.8(3) . . ?
C18 C17 S1 117.1(3) . . ?
C19 C18 C17 121.7(5) . . ?
C19 C18 H18 119.2 . . ?
C17 C18 H18 119.2 . . ?
C18 C19 C20 119.4(5) . . ?
C18 C19 H19 120.3 . . ?
C20 C19 H19 120.3 . . ?
C19 C20 C21 120.4(5) . . ?
C19 C20 H20 119.8 . . ?
C21 C20 H20 119.8 . . ?
C20 C21 C16 121.4(5) . . ?
C20 C21 H21 119.3 . . ?
C16 C21 H21 119.3 . . ?
O6 C22 O7' 95.3(8) . . ?
O6 C22 O7 114.6(7) . . ?
O7' C22 O7 73.8(7) . . ?
O6 C22 C23 120.1(6) . . ?
O7' C22 C23 123.0(6) . . ?
O7 C22 C23 119.2(6) . . ?
O6 C22 H7A 89(2) . . ?
O7' C22 H7A 103(2) . . ?
O7 C22 H7A 37.6(7) . . ?
C23 C22 H7A 120(3) . . ?
C24 C23 C28 118.2(5) . . ?
C24 C23 C22 125.4(4) . . ?
C28 C23 C22 116.1(5) . . ?
C23 C24 C25 119.8(5) . . ?
C23 C24 S2 124.2(4) . . ?
C25 C24 S2 116.0(4) . . ?
C26 C25 C24 121.4(7) . . ?
C26 C25 H25 119.3 . . ?
C24 C25 H25 119.3 . . ?
C25 C26 C27 119.8(7) . . ?
C25 C26 H26 120.1 . . ?
C27 C26 H26 120.1 . . ?
C26 C27 C28 120.3(6) . . ?
C26 C27 H27 119.9 . . ?
C28 C27 H27 119.9 . . ?
C27 C28 C23 120.5(6) . . ?
C27 C28 H28 119.8 . . ?
C23 C28 H28 119.8 . . ?
N5 C29 C30 111.6(4) . . ?
N5 C29 H29 124.2 . . ?
C30 C29 H29 124.2 . . ?
C31 C30 C29 104.9(4) . . ?
C31 C30 H30 127.6 . . ?
C29 C30 H30 127.6 . . ?
N6 C31 C30 107.6(4) . . ?
N6 C31 H31 126.2 . . ?
C30 C31 H31 126.2 . . ?
N6 C32 C33 114.7(3) . . ?
N6 C32 H32A 108.6 . . ?
C33 C32 H32A 108.6 . . ?
N6 C32 H32B 108.6 . . ?
C33 C32 H32B 108.6 . . ?
H32A C32 H32B 107.6 . . ?
C34 C33 C35 117.0(4) . . ?
C34 C33 C32 119.7(4) . . ?
C35 C33 C32 123.2(4) . . ?
C33 C34 C35 121.7(4) . 2_556 ?
C33 C34 H34 119.1 . . ?
C35 C34 H34 119.1 2_556 . ?
C33 C35 C34 121.3(4) . 2_556 ?
C33 C35 H35 119.3 . . ?
C34 C35 H35 119.3 2_556 . ?
N7 C36 C37 111.1(4) . . ?
N7 C36 H36 124.5 . . ?
C37 C36 H36 124.5 . . ?
C38 C37 C36 105.2(4) . . ?
C38 C37 H37 127.4 . . ?
C36 C37 H37 127.4 . . ?
N8 C38 C37 107.8(4) . . ?
N8 C38 H38 126.1 . . ?
C37 C38 H38 126.1 . . ?
N8 C39 C40 111.9(3) . . ?
N8 C39 H39A 109.2 . . ?
C40 C39 H39A 109.2 . . ?
N8 C39 H39B 109.2 . . ?
C40 C39 H39B 109.2 . . ?
H39A C39 H39B 107.9 . . ?
C45 C40 C41 118.7(4) . . ?
C45 C40 C39 120.8(4) . . ?
C41 C40 C39 120.5(4) . . ?
C40 C41 C42 120.9(4) . . ?
C40 C41 H41 119.6 . . ?
C42 C41 H41 119.6 . . ?
C43 C42 C41 120.3(4) . . ?
C43 C42 H42 119.9 . . ?
C41 C42 H42 119.9 . . ?
C44 C43 C42 118.6(4) . . ?
C44 C43 C46 121.5(4) . . ?
C42 C43 C46 119.9(4) . . ?
C43 C44 C45 121.4(4) . . ?
C43 C44 H44 119.3 . . ?
C45 C44 H44 119.3 . . ?
C40 C45 C44 120.1(5) . . ?
C40 C45 H45 119.9 . . ?
C44 C45 H45 119.9 . . ?
N9 C46 C43 112.2(3) . . ?
N9 C46 H46A 109.2 . . ?
C43 C46 H46A 109.2 . . ?
N9 C46 H46B 109.2 . . ?
C43 C46 H46B 109.2 . . ?
H46A C46 H46B 107.9 . . ?
N9 C47 C48 107.6(4) . . ?
N9 C47 H47 126.2 . . ?
C48 C47 H47 126.2 . . ?
C47 C48 C49 104.8(5) . . ?
C47 C48 H48 127.6 . . ?
C49 C48 H48 127.6 . . ?
C49 N10 N9 104.4(4) . . ?
C49 N10 Ag1 128.7(3) . 1_455 ?
N9 N10 Ag1 125.9(3) . 1_455 ?
N10 C49 C48 111.8(4) . . ?
N10 C49 H49 124.1 . . ?
C48 C49 H49 124.1 . . ?
H1A O1W H1B 108(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N10 Ag1 N1 N2 63.5(4) 1_655 . . . ?
O1 Ag1 N1 N2 -155.2(3) . . . . ?
N10 Ag1 N1 C1 -108.0(4) 1_655 . . . ?
O1 Ag1 N1 C1 33.4(4) . . . . ?
C1 N1 N2 C3 0.1(4) . . . . ?
Ag1 N1 N2 C3 -173.1(3) . . . . ?
C1 N1 N2 C4 -178.3(3) . . . . ?
Ag1 N1 N2 C4 8.6(4) . . . . ?
C12 N3 N4 C14 -0.5(5) . . . . ?
C11 N3 N4 C14 -174.1(4) . . . . ?
C12 N3 N4 Ag3 -178.0(3) . . . 1_645 ?
C11 N3 N4 Ag3 8.4(5) . . . 1_645 ?
O2 Ag2 N5 C29 168.3(3) . . . . ?
O8 Ag2 N5 C29 -28.9(3) . . . . ?
O2 Ag2 N5 N6 15.4(5) . . . . ?
O8 Ag2 N5 N6 178.3(3) . . . . ?
C29 N5 N6 C31 -0.3(4) . . . . ?
Ag2 N5 N6 C31 157.4(3) . . . . ?
C29 N5 N6 C32 177.2(3) . . . . ?
Ag2 N5 N6 C32 -25.2(5) . . . . ?
N4 Ag3 N7 C36 129.0(3) 1_465 . . . ?
O2 Ag3 N7 C36 -80.0(4) . . . . ?
O3 Ag3 N7 C36 1.3(4) . . . . ?
N4 Ag3 N7 N8 -37.4(3) 1_465 . . . ?
O2 Ag3 N7 N8 113.7(3) . . . . ?
O3 Ag3 N7 N8 -165.1(3) . . . . ?
C36 N7 N8 C38 0.4(4) . . . . ?
Ag3 N7 N8 C38 169.6(3) . . . . ?
C36 N7 N8 C39 179.1(3) . . . . ?
Ag3 N7 N8 C39 -11.7(5) . . . . ?
N10 Ag1 O1 C15 163.2(11) 1_655 . . . ?
N1 Ag1 O1 C15 6.9(12) . . . . ?
N5 Ag2 O2 C15 -124.2(4) . . . . ?
O8 Ag2 O2 C15 74.3(3) . . . . ?
N5 Ag2 O2 Ag3 57.0(4) . . . . ?
O8 Ag2 O2 Ag3 -104.5(2) . . . . ?
N7 Ag3 O2 C15 145.7(4) . . . . ?
N4 Ag3 O2 C15 -55.9(4) 1_465 . . . ?
O3 Ag3 O2 C15 64.9(4) . . . . ?
N7 Ag3 O2 Ag2 -35.7(3) . . . . ?
N4 Ag3 O2 Ag2 122.7(2) 1_465 . . . ?
O3 Ag3 O2 Ag2 -116.5(2) . . . . ?
O4 S1 O3 Ag3 80.3(3) . . . . ?
O5 S1 O3 Ag3 -150.7(2) . . . . ?
C17 S1 O3 Ag3 -39.8(3) . . . . ?
N7 Ag3 O3 S1 -162.0(3) . . . . ?
N4 Ag3 O3 S1 62.5(3) 1_465 . . . ?
O2 Ag3 O3 S1 -29.9(3) . . . . ?
C22 O7 O7' O6 -37.2(4) . . . . ?
C22 O6 O7' O7 49.9(6) . . . . ?
O10 S2 O8 Ag2 -9.4(3) . . . . ?
O9 S2 O8 Ag2 -138.9(2) . . . . ?
C24 S2 O8 Ag2 106.4(2) . . . . ?
N5 Ag2 O8 S2 84.9(3) . . . . ?
O2 Ag2 O8 S2 -102.3(3) . . . . ?
N2 N1 C1 C2 -0.2(5) . . . . ?
Ag1 N1 C1 C2 172.5(3) . . . . ?
N1 C1 C2 C3 0.2(5) . . . . ?
N1 N2 C3 C2 0.0(4) . . . . ?
C4 N2 C3 C2 178.2(4) . . . . ?
C1 C2 C3 N2 -0.1(5) . . . . ?
N1 N2 C4 C5 -70.3(4) . . . . ?
C3 N2 C4 C5 111.6(4) . . . . ?
N2 C4 C5 C10 133.4(4) . . . . ?
N2 C4 C5 C6 -49.1(5) . . . . ?
C10 C5 C6 C7 0.6(6) . . . . ?
C4 C5 C6 C7 -177.0(4) . . . . ?
C5 C6 C7 C8 -0.2(6) . . . . ?
C6 C7 C8 C9 0.1(6) . . . . ?
C6 C7 C8 C11 -178.4(4) . . . . ?
C7 C8 C9 C10 -0.2(6) . . . . ?
C11 C8 C9 C10 178.2(4) . . . . ?
C6 C5 C10 C9 -0.7(6) . . . . ?
C4 C5 C10 C9 176.9(4) . . . . ?
C8 C9 C10 C5 0.5(6) . . . . ?
C12 N3 C11 C8 -101.3(5) . . . . ?
N4 N3 C11 C8 71.0(5) . . . . ?
C7 C8 C11 N3 -146.1(4) . . . . ?
C9 C8 C11 N3 35.6(5) . . . . ?
N4 N3 C12 C13 -0.3(6) . . . . ?
C11 N3 C12 C13 172.5(4) . . . . ?
N3 C12 C13 C14 1.0(6) . . . . ?
N3 N4 C14 C13 1.2(5) . . . . ?
Ag3 N4 C14 C13 178.3(3) 1_645 . . . ?
C12 C13 C14 N4 -1.4(6) . . . . ?
Ag1 O1 C15 O2 49.1(14) . . . . ?
Ag1 O1 C15 C16 -136.5(10) . . . . ?
Ag2 O2 C15 O1 -6.4(7) . . . . ?
Ag3 O2 C15 O1 172.3(4) . . . . ?
Ag2 O2 C15 C16 179.2(3) . . . . ?
Ag3 O2 C15 C16 -2.1(6) . . . . ?
O1 C15 C16 C17 125.6(5) . . . . ?
O2 C15 C16 C17 -59.6(6) . . . . ?
O1 C15 C16 C21 -57.4(6) . . . . ?
O2 C15 C16 C21 117.3(5) . . . . ?
C21 C16 C17 C18 -2.4(6) . . . . ?
C15 C16 C17 C18 174.5(4) . . . . ?
C21 C16 C17 S1 176.6(3) . . . . ?
C15 C16 C17 S1 -6.5(6) . . . . ?
O4 S1 C17 C16 -35.1(4) . . . . ?
O3 S1 C17 C16 91.7(4) . . . . ?
O5 S1 C17 C16 -152.7(3) . . . . ?
O4 S1 C17 C18 143.9(3) . . . . ?
O3 S1 C17 C18 -89.3(3) . . . . ?
O5 S1 C17 C18 26.4(4) . . . . ?
C16 C17 C18 C19 0.2(6) . . . . ?
S1 C17 C18 C19 -178.9(4) . . . . ?
C17 C18 C19 C20 1.8(7) . . . . ?
C18 C19 C20 C21 -1.6(8) . . . . ?
C19 C20 C21 C16 -0.8(8) . . . . ?
C17 C16 C21 C20 2.7(6) . . . . ?
C15 C16 C21 C20 -174.5(4) . . . . ?
O7' O6 C22 O7 -74.6(8) . . . . ?
O7' O6 C22 C23 133.3(9) . . . . ?
O7 O7' C22 O6 -114.1(7) . . . . ?
O6 O7' C22 O7 114.1(7) . . . . ?
O7 O7' C22 C23 114.6(8) . . . . ?
O6 O7' C22 C23 -131.4(10) . . . . ?
O7' O7 C22 O6 88.4(9) . . . . ?
O7' O7 C22 C23 -119.2(7) . . . . ?
O6 C22 C23 C24 -162.0(8) . . . . ?
O7' C22 C23 C24 -41.7(10) . . . . ?
O7 C22 C23 C24 47.2(9) . . . . ?
O6 C22 C23 C28 24.4(10) . . . . ?
O7' C22 C23 C28 144.6(8) . . . . ?
O7 C22 C23 C28 -126.5(7) . . . . ?
C28 C23 C24 C25 0.3(7) . . . . ?
C22 C23 C24 C25 -173.2(5) . . . . ?
C28 C23 C24 S2 178.8(4) . . . . ?
C22 C23 C24 S2 5.3(7) . . . . ?
O10 S2 C24 C23 -76.4(4) . . . . ?
O9 S2 C24 C23 45.6(4) . . . . ?
O8 S2 C24 C23 163.5(4) . . . . ?
O10 S2 C24 C25 102.2(4) . . . . ?
O9 S2 C24 C25 -135.8(4) . . . . ?
O8 S2 C24 C25 -17.9(5) . . . . ?
C23 C24 C25 C26 0.2(10) . . . . ?
S2 C24 C25 C26 -178.4(6) . . . . ?
C24 C25 C26 C27 -1.3(13) . . . . ?
C25 C26 C27 C28 1.9(14) . . . . ?
C26 C27 C28 C23 -1.4(11) . . . . ?
C24 C23 C28 C27 0.2(8) . . . . ?
C22 C23 C28 C27 174.4(6) . . . . ?
N6 N5 C29 C30 -0.4(4) . . . . ?
Ag2 N5 C29 C30 -157.7(3) . . . . ?
N5 C29 C30 C31 0.9(5) . . . . ?
N5 N6 C31 C30 0.8(5) . . . . ?
C32 N6 C31 C30 -176.4(4) . . . . ?
C29 C30 C31 N6 -1.0(5) . . . . ?
C31 N6 C32 C33 84.8(5) . . . . ?
N5 N6 C32 C33 -92.2(5) . . . . ?
N6 C32 C33 C34 153.1(5) . . . . ?
N6 C32 C33 C35 -30.4(7) . . . . ?
C35 C33 C34 C35 -1.0(10) . . . 2_556 ?
C32 C33 C34 C35 175.8(6) . . . 2_556 ?
C34 C33 C35 C34 1.0(10) . . . 2_556 ?
C32 C33 C35 C34 -175.6(5) . . . 2_556 ?
N8 N7 C36 C37 -0.1(4) . . . . ?
Ag3 N7 C36 C37 -168.6(3) . . . . ?
N7 C36 C37 C38 -0.2(5) . . . . ?
N7 N8 C38 C37 -0.6(5) . . . . ?
C39 N8 C38 C37 -179.1(4) . . . . ?
C36 C37 C38 N8 0.5(5) . . . . ?
C38 N8 C39 C40 112.1(5) . . . . ?
N7 N8 C39 C40 -66.3(5) . . . . ?
N8 C39 C40 C45 -68.8(5) . . . . ?
N8 C39 C40 C41 110.0(5) . . . . ?
C45 C40 C41 C42 -0.4(7) . . . . ?
C39 C40 C41 C42 -179.2(4) . . . . ?
C40 C41 C42 C43 -1.4(7) . . . . ?
C41 C42 C43 C44 2.6(7) . . . . ?
C41 C42 C43 C46 -176.4(4) . . . . ?
C42 C43 C44 C45 -2.1(7) . . . . ?
C46 C43 C44 C45 176.9(4) . . . . ?
C41 C40 C45 C44 0.9(7) . . . . ?
C39 C40 C45 C44 179.6(4) . . . . ?
C43 C44 C45 C40 0.4(8) . . . . ?
C47 N9 C46 C43 -110.0(5) . . . . ?
N10 N9 C46 C43 69.2(5) . . . . ?
C44 C43 C46 N9 -112.5(5) . . . . ?
C42 C43 C46 N9 66.5(5) . . . . ?
N10 N9 C47 C48 0.0(5) . . . . ?
C46 N9 C47 C48 179.4(4) . . . . ?
N9 C47 C48 C49 -0.4(6) . . . . ?
C47 N9 N10 C49 0.4(5) . . . . ?
C46 N9 N10 C49 -179.0(4) . . . . ?
C47 N9 N10 Ag1 -168.6(3) . . . 1_455 ?
C46 N9 N10 Ag1 12.0(5) . . . 1_455 ?
N9 N10 C49 C48 -0.6(5) . . . . ?
Ag1 N10 C49 C48 167.9(3) 1_455 . . . ?
C47 C48 C49 N10 0.7(6) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.10
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.929
_refine_diff_density_min         -0.664
_refine_diff_density_rms         0.072
_database_code_depnum_ccdc_archive 'CCDC 958100'

data_12-5-19-11

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C28 H25 Ag N6 O5 S'
_chemical_formula_weight         665.47

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'
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'

_symmetry_cell_setting           ?
_symmetry_space_group_name_H-M   ?

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.4087(4)
_cell_length_b                   11.5583(5)
_cell_length_c                   12.1619(6)
_cell_angle_alpha                88.778(4)
_cell_angle_beta                 72.109(4)
_cell_angle_gamma                80.521(4)
_cell_volume                     1372.73(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    295(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.610
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             676
_exptl_absorpt_coefficient_mu    0.861
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.7137
_exptl_absorpt_correction_T_max  0.8817
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      295(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            8719
_diffrn_reflns_av_R_equivalents  0.0245
_diffrn_reflns_av_sigmaI/netI    0.0412
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_theta_min         2.96
_diffrn_reflns_theta_max         25.10
_reflns_number_total             4869
_reflns_number_gt                4263
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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     
'calc w=1/[σ²(Fo²)+(0.0431P)²+0.6152P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4869
_refine_ls_number_parameters     370
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0398
_refine_ls_R_factor_gt           0.0317
_refine_ls_wR_factor_ref         0.0817
_refine_ls_wR_factor_gt          0.0760
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_restrained_S_all      1.000
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.76602(2) 0.162578(19) 0.422266(19) 0.02615(9) Uani 1 1 d . . .
S1 S 1.06232(7) 0.35705(6) 0.24531(6) 0.02497(17) Uani 1 1 d . . .
N1 N 0.8536(2) -0.0336(2) 0.3845(2) 0.0219(5) Uani 1 1 d . . .
N2 N 0.8398(2) -0.1020(2) 0.3018(2) 0.0218(5) Uani 1 1 d . . .
N3 N 0.7552(2) 0.23264(19) 0.5962(2) 0.0210(5) Uani 1 1 d . . .
N4 N 0.7665(2) 0.34356(19) 0.6211(2) 0.0192(5) Uani 1 1 d . . .
N5 N 0.6654(2) 0.24054(19) 0.2903(2) 0.0204(5) Uani 1 1 d . . .
N6 N 0.5289(2) 0.25669(19) 0.3049(2) 0.0190(5) Uani 1 1 d . . .
O1 O 1.2039(2) 0.09801(18) 0.24293(19) 0.0387(6) Uani 1 1 d . . .
H1A H 1.1333 0.1429 0.2452 0.058 Uiso 1 1 calc R . .
O2 O 1.4169(3) 0.0618(2) 0.1342(2) 0.0418(6) Uani 1 1 d . . .
O3 O 0.9908(2) 0.25585(19) 0.27766(18) 0.0334(5) Uani 1 1 d . . .
O4 O 1.1502(2) 0.36817(18) 0.31504(17) 0.0304(5) Uani 1 1 d . . .
O5 O 0.9705(2) 0.4623(2) 0.2364(2) 0.0406(6) Uani 1 1 d . . .
C1 C 0.8949(3) -0.1087(3) 0.4569(3) 0.0273(7) Uani 1 1 d . . .
H1 H 0.9132 -0.0865 0.5229 0.033 Uiso 1 1 calc R . .
C2 C 0.9068(3) -0.2243(3) 0.4208(3) 0.0303(7) Uani 1 1 d . . .
H2 H 0.9326 -0.2920 0.4568 0.036 Uiso 1 1 calc R . .
C3 C 0.8724(3) -0.2171(3) 0.3212(3) 0.0291(7) Uani 1 1 d . . .
H3 H 0.8715 -0.2798 0.2749 0.035 Uiso 1 1 calc R . .
C4 C 0.7911(3) -0.0502(3) 0.2090(2) 0.0238(6) Uani 1 1 d . . .
H4A H 0.7297 0.0227 0.2381 0.029 Uiso 1 1 calc R . .
H4B H 0.7384 -0.1028 0.1877 0.029 Uiso 1 1 calc R . .
C5 C 0.9018(3) -0.0252(2) 0.1014(2) 0.0192(6) Uani 1 1 d . . .
C6 C 1.0394(3) -0.0422(2) 0.0941(2) 0.0225(6) Uani 1 1 d . . .
H6 H 1.0667 -0.0702 0.1570 0.027 Uiso 1 1 calc R . .
C7 C 0.8638(3) 0.0175(2) 0.0067(2) 0.0227(6) Uani 1 1 d . . .
H7 H 0.7718 0.0298 0.0109 0.027 Uiso 1 1 calc R . .
C8 C 0.7410(3) 0.1780(3) 0.6957(3) 0.0251(7) Uani 1 1 d . . .
H8 H 0.7317 0.0994 0.7051 0.030 Uiso 1 1 calc R . .
C9 C 0.7415(3) 0.2519(3) 0.7833(3) 0.0283(7) Uani 1 1 d . . .
H9 H 0.7329 0.2339 0.8599 0.034 Uiso 1 1 calc R . .
C10 C 0.7578(3) 0.3579(3) 0.7323(3) 0.0249(6) Uani 1 1 d . . .
H10 H 0.7620 0.4268 0.7682 0.030 Uiso 1 1 calc R . .
C11 C 0.7664(3) 0.4327(2) 0.5352(2) 0.0221(6) Uani 1 1 d . . .
H11A H 0.8337 0.4038 0.4624 0.027 Uiso 1 1 calc R . .
H11B H 0.7930 0.5021 0.5596 0.027 Uiso 1 1 calc R . .
C12 C 0.6277(3) 0.4659(2) 0.5173(2) 0.0180(6) Uani 1 1 d . . .
C13 C 0.5068(3) 0.4671(2) 0.6086(2) 0.0195(6) Uani 1 1 d . . .
H13 H 0.5109 0.4449 0.6816 0.023 Uiso 1 1 calc R . .
C14 C 0.6191(3) 0.4986(2) 0.4093(2) 0.0198(6) Uani 1 1 d . . .
H14 H 0.6990 0.4975 0.3478 0.024 Uiso 1 1 calc R . .
C15 C 0.7210(3) 0.2820(2) 0.1863(3) 0.0250(7) Uani 1 1 d . . .
H15 H 0.8143 0.2813 0.1525 0.030 Uiso 1 1 calc R . .
C16 C 0.6215(3) 0.3262(3) 0.1352(3) 0.0291(7) Uani 1 1 d . . .
H16 H 0.6344 0.3602 0.0634 0.035 Uiso 1 1 calc R . .
C17 C 0.5003(3) 0.3088(2) 0.2135(3) 0.0249(6) Uani 1 1 d . . .
H17 H 0.4138 0.3293 0.2048 0.030 Uiso 1 1 calc R . .
C18 C 0.4316(3) 0.2317(2) 0.4144(2) 0.0221(6) Uani 1 1 d . . .
H18A H 0.3414 0.2392 0.4049 0.027 Uiso 1 1 calc R . .
H18B H 0.4272 0.2898 0.4723 0.027 Uiso 1 1 calc R . .
C19 C 0.4678(3) 0.1106(2) 0.4575(2) 0.0175(6) Uani 1 1 d . . .
C20 C 0.4754(3) 0.0102(2) 0.3939(2) 0.0194(6) Uani 1 1 d . . .
H20 H 0.4594 0.0164 0.3227 0.023 Uiso 1 1 calc R . .
C21 C 0.4931(3) 0.0994(2) 0.5633(2) 0.0193(6) Uani 1 1 d . . .
H21 H 0.4889 0.1664 0.6061 0.023 Uiso 1 1 calc R . .
C22 C 1.3047(3) 0.1219(3) 0.1540(3) 0.0291(7) Uani 1 1 d . . .
C23 C 1.2800(3) 0.2201(2) 0.0749(2) 0.0201(6) Uani 1 1 d . . .
C24 C 1.1784(3) 0.3201(2) 0.1024(2) 0.0214(6) Uani 1 1 d . . .
C25 C 1.1689(3) 0.4021(3) 0.0193(3) 0.0285(7) Uani 1 1 d . . .
H25 H 1.1012 0.4682 0.0383 0.034 Uiso 1 1 calc R . .
C26 C 1.2591(3) 0.3865(3) -0.0914(3) 0.0334(8) Uani 1 1 d . . .
H26 H 1.2503 0.4409 -0.1472 0.040 Uiso 1 1 calc R . .
C27 C 1.3618(3) 0.2910(3) -0.1192(3) 0.0314(7) Uani 1 1 d . . .
H27 H 1.4240 0.2817 -0.1932 0.038 Uiso 1 1 calc R . .
C28 C 1.3727(3) 0.2083(3) -0.0372(3) 0.0266(7) Uani 1 1 d . . .
H28 H 1.4427 0.1438 -0.0567 0.032 Uiso 1 1 calc R . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N3 2.245(2) . ?
Ag1 N5 2.268(2) . ?
Ag1 N1 2.300(2) . ?
S1 O5 1.442(2) . ?
S1 O4 1.447(2) . ?
S1 O3 1.471(2) . ?
S1 C24 1.799(3) . ?
N1 C1 1.338(4) . ?
N1 N2 1.348(3) . ?
N2 C3 1.352(4) . ?
N2 C4 1.452(4) . ?
N3 C8 1.331(4) . ?
N3 N4 1.355(3) . ?
N4 C10 1.339(4) . ?
N4 C11 1.452(3) . ?
N5 C15 1.333(4) . ?
N5 N6 1.358(3) . ?
N6 C17 1.343(4) . ?
N6 C18 1.461(3) . ?
O1 C22 1.316(4) . ?
O1 H1A 0.8200 . ?
O2 C22 1.213(4) . ?
C1 C2 1.389(4) . ?
C1 H1 0.9300 . ?
C2 C3 1.362(5) . ?
C2 H2 0.9300 . ?
C3 H3 0.9300 . ?
C4 C5 1.514(4) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C7 1.384(4) . ?
C5 C6 1.388(4) . ?
C6 C7 1.386(4) 2_755 ?
C6 H6 0.9300 . ?
C7 C6 1.386(4) 2_755 ?
C7 H7 0.9300 . ?
C8 C9 1.382(4) . ?
C8 H8 0.9300 . ?
C9 C10 1.373(4) . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C11 C12 1.512(4) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 C14 1.384(4) . ?
C12 C13 1.398(4) . ?
C13 C14 1.387(4) 2_666 ?
C13 H13 0.9300 . ?
C14 C13 1.387(4) 2_666 ?
C14 H14 0.9300 . ?
C15 C16 1.389(4) . ?
C15 H15 0.9300 . ?
C16 C17 1.369(4) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C18 C19 1.514(4) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C20 1.387(4) . ?
C19 C21 1.389(4) . ?
C20 C21 1.387(4) 2_656 ?
C20 H20 0.9300 . ?
C21 C20 1.387(4) 2_656 ?
C21 H21 0.9300 . ?
C22 C23 1.513(4) . ?
C23 C28 1.402(4) . ?
C23 C24 1.401(4) . ?
C24 C25 1.385(4) . ?
C25 C26 1.380(4) . ?
C25 H25 0.9300 . ?
C26 C27 1.372(5) . ?
C26 H26 0.9300 . ?
C27 C28 1.384(4) . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N3 Ag1 N5 130.64(8) . . ?
N3 Ag1 N1 115.81(8) . . ?
N5 Ag1 N1 112.15(8) . . ?
O5 S1 O4 115.68(14) . . ?
O5 S1 O3 112.05(13) . . ?
O4 S1 O3 111.90(13) . . ?
O5 S1 C24 106.84(14) . . ?
O4 S1 C24 104.44(12) . . ?
O3 S1 C24 104.90(13) . . ?
C1 N1 N2 104.9(2) . . ?
C1 N1 Ag1 126.2(2) . . ?
N2 N1 Ag1 126.68(18) . . ?
N1 N2 C3 111.3(2) . . ?
N1 N2 C4 120.7(2) . . ?
C3 N2 C4 128.0(3) . . ?
C8 N3 N4 104.3(2) . . ?
C8 N3 Ag1 129.75(18) . . ?
N4 N3 Ag1 125.95(17) . . ?
C10 N4 N3 111.8(2) . . ?
C10 N4 C11 128.2(2) . . ?
N3 N4 C11 119.4(2) . . ?
C15 N5 N6 105.1(2) . . ?
C15 N5 Ag1 129.86(19) . . ?
N6 N5 Ag1 125.02(16) . . ?
C17 N6 N5 111.0(2) . . ?
C17 N6 C18 127.4(2) . . ?
N5 N6 C18 121.2(2) . . ?
C22 O1 H1A 109.5 . . ?
N1 C1 C2 111.2(3) . . ?
N1 C1 H1 124.4 . . ?
C2 C1 H1 124.4 . . ?
C3 C2 C1 105.1(3) . . ?
C3 C2 H2 127.4 . . ?
C1 C2 H2 127.4 . . ?
N2 C3 C2 107.5(3) . . ?
N2 C3 H3 126.3 . . ?
C2 C3 H3 126.3 . . ?
N2 C4 C5 115.2(2) . . ?
N2 C4 H4A 108.5 . . ?
C5 C4 H4A 108.5 . . ?
N2 C4 H4B 108.5 . . ?
C5 C4 H4B 108.5 . . ?
H4A C4 H4B 107.5 . . ?
C7 C5 C6 118.8(2) . . ?
C7 C5 C4 118.5(2) . . ?
C6 C5 C4 122.8(3) . . ?
C7 C6 C5 120.2(3) 2_755 . ?
C7 C6 H6 119.9 2_755 . ?
C5 C6 H6 119.9 . . ?
C6 C7 C5 121.0(3) 2_755 . ?
C6 C7 H7 119.5 2_755 . ?
C5 C7 H7 119.5 . . ?
N3 C8 C9 112.0(3) . . ?
N3 C8 H8 124.0 . . ?
C9 C8 H8 124.0 . . ?
C10 C9 C8 104.7(3) . . ?
C10 C9 H9 127.7 . . ?
C8 C9 H9 127.7 . . ?
N4 C10 C9 107.2(3) . . ?
N4 C10 H10 126.4 . . ?
C9 C10 H10 126.4 . . ?
N4 C11 C12 112.2(2) . . ?
N4 C11 H11A 109.2 . . ?
C12 C11 H11A 109.2 . . ?
N4 C11 H11B 109.2 . . ?
C12 C11 H11B 109.2 . . ?
H11A C11 H11B 107.9 . . ?
C14 C12 C13 118.9(3) . . ?
C14 C12 C11 119.8(2) . . ?
C13 C12 C11 121.3(3) . . ?
C14 C13 C12 120.1(3) 2_666 . ?
C14 C13 H13 119.9 2_666 . ?
C12 C13 H13 119.9 . . ?
C12 C14 C13 121.0(3) . 2_666 ?
C12 C14 H14 119.5 . . ?
C13 C14 H14 119.5 2_666 . ?
N5 C15 C16 111.2(3) . . ?
N5 C15 H15 124.4 . . ?
C16 C15 H15 124.4 . . ?
C17 C16 C15 105.0(3) . . ?
C17 C16 H16 127.5 . . ?
C15 C16 H16 127.5 . . ?
N6 C17 C16 107.7(3) . . ?
N6 C17 H17 126.2 . . ?
C16 C17 H17 126.2 . . ?
N6 C18 C19 113.6(2) . . ?
N6 C18 H18A 108.8 . . ?
C19 C18 H18A 108.8 . . ?
N6 C18 H18B 108.8 . . ?
C19 C18 H18B 108.8 . . ?
H18A C18 H18B 107.7 . . ?
C20 C19 C21 119.1(3) . . ?
C20 C19 C18 121.3(3) . . ?
C21 C19 C18 119.6(2) . . ?
C21 C20 C19 119.8(3) 2_656 . ?
C21 C20 H20 120.1 2_656 . ?
C19 C20 H20 120.1 . . ?
C20 C21 C19 121.1(3) 2_656 . ?
C20 C21 H21 119.5 2_656 . ?
C19 C21 H21 119.5 . . ?
O2 C22 O1 119.0(3) . . ?
O2 C22 C23 120.4(3) . . ?
O1 C22 C23 120.6(3) . . ?
C28 C23 C24 117.9(3) . . ?
C28 C23 C22 114.7(3) . . ?
C24 C23 C22 127.3(3) . . ?
C25 C24 C23 120.3(3) . . ?
C25 C24 S1 115.7(2) . . ?
C23 C24 S1 123.9(2) . . ?
C26 C25 C24 120.6(3) . . ?
C26 C25 H25 119.7 . . ?
C24 C25 H25 119.7 . . ?
C27 C26 C25 120.1(3) . . ?
C27 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
C26 C27 C28 120.0(3) . . ?
C26 C27 H27 120.0 . . ?
C28 C27 H27 120.0 . . ?
C27 C28 C23 121.1(3) . . ?
C27 C28 H28 119.5 . . ?
C23 C28 H28 119.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N3 Ag1 N1 C1 1.6(2) . . . . ?
N5 Ag1 N1 C1 -166.3(2) . . . . ?
N3 Ag1 N1 N2 162.25(19) . . . . ?
N5 Ag1 N1 N2 -5.7(2) . . . . ?
C1 N1 N2 C3 -0.4(3) . . . . ?
Ag1 N1 N2 C3 -164.29(18) . . . . ?
C1 N1 N2 C4 177.8(2) . . . . ?
Ag1 N1 N2 C4 13.9(3) . . . . ?
N5 Ag1 N3 C8 136.7(2) . . . . ?
N1 Ag1 N3 C8 -28.6(3) . . . . ?
N5 Ag1 N3 N4 -45.5(2) . . . . ?
N1 Ag1 N3 N4 149.26(19) . . . . ?
C8 N3 N4 C10 -0.8(3) . . . . ?
Ag1 N3 N4 C10 -179.06(18) . . . . ?
C8 N3 N4 C11 -172.3(2) . . . . ?
Ag1 N3 N4 C11 9.4(3) . . . . ?
N3 Ag1 N5 C15 110.6(2) . . . . ?
N1 Ag1 N5 C15 -83.7(2) . . . . ?
N3 Ag1 N5 N6 -67.8(2) . . . . ?
N1 Ag1 N5 N6 97.9(2) . . . . ?
C15 N5 N6 C17 -1.2(3) . . . . ?
Ag1 N5 N6 C17 177.58(17) . . . . ?
C15 N5 N6 C18 -174.2(2) . . . . ?
Ag1 N5 N6 C18 4.5(3) . . . . ?
N2 N1 C1 C2 -0.2(3) . . . . ?
Ag1 N1 C1 C2 163.76(18) . . . . ?
N1 C1 C2 C3 0.8(3) . . . . ?
N1 N2 C3 C2 0.9(3) . . . . ?
C4 N2 C3 C2 -177.2(2) . . . . ?
C1 C2 C3 N2 -1.0(3) . . . . ?
N1 N2 C4 C5 91.4(3) . . . . ?
C3 N2 C4 C5 -90.7(3) . . . . ?
N2 C4 C5 C7 176.1(2) . . . . ?
N2 C4 C5 C6 -4.5(4) . . . . ?
C7 C5 C6 C7 -0.5(4) . . . 2_755 ?
C4 C5 C6 C7 -179.9(3) . . . 2_755 ?
C6 C5 C7 C6 0.5(4) . . . 2_755 ?
C4 C5 C7 C6 179.9(3) . . . 2_755 ?
N4 N3 C8 C9 0.6(3) . . . . ?
Ag1 N3 C8 C9 178.80(19) . . . . ?
N3 C8 C9 C10 -0.2(3) . . . . ?
N3 N4 C10 C9 0.7(3) . . . . ?
C11 N4 C10 C9 171.3(3) . . . . ?
C8 C9 C10 N4 -0.3(3) . . . . ?
C10 N4 C11 C12 -100.0(3) . . . . ?
N3 N4 C11 C12 70.0(3) . . . . ?
N4 C11 C12 C14 -147.4(2) . . . . ?
N4 C11 C12 C13 34.1(3) . . . . ?
C14 C12 C13 C14 -0.5(4) . . . 2_666 ?
C11 C12 C13 C14 178.0(2) . . . 2_666 ?
C13 C12 C14 C13 0.5(4) . . . 2_666 ?
C11 C12 C14 C13 -178.0(2) . . . 2_666 ?
N6 N5 C15 C16 1.0(3) . . . . ?
Ag1 N5 C15 C16 -177.65(19) . . . . ?
N5 C15 C16 C17 -0.5(3) . . . . ?
N5 N6 C17 C16 0.9(3) . . . . ?
C18 N6 C17 C16 173.4(3) . . . . ?
C15 C16 C17 N6 -0.2(3) . . . . ?
C17 N6 C18 C19 136.6(3) . . . . ?
N5 N6 C18 C19 -51.6(3) . . . . ?
N6 C18 C19 C20 -61.3(3) . . . . ?
N6 C18 C19 C21 119.1(3) . . . . ?
C21 C19 C20 C21 0.5(4) . . . 2_656 ?
C18 C19 C20 C21 -179.1(2) . . . 2_656 ?
C20 C19 C21 C20 -0.5(4) . . . 2_656 ?
C18 C19 C21 C20 179.1(2) . . . 2_656 ?
O2 C22 C23 C28 22.3(4) . . . . ?
O1 C22 C23 C28 -155.4(3) . . . . ?
O2 C22 C23 C24 -156.3(3) . . . . ?
O1 C22 C23 C24 26.0(4) . . . . ?
C28 C23 C24 C25 1.8(4) . . . . ?
C22 C23 C24 C25 -179.6(3) . . . . ?
C28 C23 C24 S1 -173.4(2) . . . . ?
C22 C23 C24 S1 5.2(4) . . . . ?
O5 S1 C24 C25 7.2(3) . . . . ?
O4 S1 C24 C25 -115.9(2) . . . . ?
O3 S1 C24 C25 126.3(2) . . . . ?
O5 S1 C24 C23 -177.4(2) . . . . ?
O4 S1 C24 C23 59.5(3) . . . . ?
O3 S1 C24 C23 -58.3(3) . . . . ?
C23 C24 C25 C26 0.1(4) . . . . ?
S1 C24 C25 C26 175.6(2) . . . . ?
C24 C25 C26 C27 -1.9(5) . . . . ?
C25 C26 C27 C28 1.8(5) . . . . ?
C26 C27 C28 C23 0.1(5) . . . . ?
C24 C23 C28 C27 -1.9(4) . . . . ?
C22 C23 C28 C27 179.4(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.10
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.855
_refine_diff_density_min         -0.503
_refine_diff_density_rms         0.074
_database_code_depnum_ccdc_archive 'CCDC 958101'

data_m

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C35 H40 Ag2 N8 O9 S'
_chemical_formula_weight         964.55

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           ?
_symmetry_space_group_name_H-M   ?

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.6331(3)
_cell_length_b                   11.3717(3)
_cell_length_c                   18.0884(5)
_cell_angle_alpha                98.0970(10)
_cell_angle_beta                 98.2860(10)
_cell_angle_gamma                113.9710(10)
_cell_volume                     1928.99(9)
_cell_formula_units_Z            2
_cell_measurement_temperature    295(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.661
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             976
_exptl_absorpt_coefficient_mu    1.133
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      295(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            19941
_diffrn_reflns_av_R_equivalents  0.0258
_diffrn_reflns_av_sigmaI/netI    0.0250
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.17
_diffrn_reflns_theta_max         25.10
_reflns_number_total             6820
_reflns_number_gt                6009
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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     
'calc w=1/[σ²(Fo²)+(0.0613P)²+2.2631P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6820
_refine_ls_number_parameters     520
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0438
_refine_ls_R_factor_gt           0.0380
_refine_ls_wR_factor_ref         0.1166
_refine_ls_wR_factor_gt          0.1071
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_restrained_S_all      1.063
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.16774(3) 0.73267(3) 0.377259(19) 0.05922(12) Uani 1 1 d . . .
Ag2 Ag 0.06903(3) 0.17741(3) 0.095842(18) 0.05607(12) Uani 1 1 d . . .
S1 S 0.39586(11) 0.23123(10) 0.21068(6) 0.0530(2) Uani 1 1 d . . .
N1 N 0.3089(3) 0.8471(3) 0.49342(17) 0.0429(7) Uani 1 1 d . . .
N2 N 0.3422(3) 0.9748(3) 0.52197(17) 0.0397(6) Uani 1 1 d . . .
N3 N -0.0530(3) 0.7055(3) 0.33706(19) 0.0499(7) Uani 1 1 d . . .
N4 N -0.1703(4) 0.6007(4) 0.3410(2) 0.0593(9) Uani 1 1 d . . .
N5 N 0.1524(4) 0.1642(3) -0.00257(18) 0.0538(8) Uani 1 1 d . . .
N6 N 0.1099(4) 0.1882(3) -0.0700(2) 0.0608(9) Uani 1 1 d . . .
N7 N 0.1780(3) 0.8170(3) -0.16758(18) 0.0469(7) Uani 1 1 d . . .
N8 N 0.0498(3) 0.8189(3) -0.17925(19) 0.0510(8) Uani 1 1 d . . .
O1 O 0.2613(4) 0.6180(3) 0.30641(18) 0.0669(8) Uani 1 1 d . . .
O2 O 0.3354(4) 0.7676(3) 0.2374(2) 0.0729(9) Uani 1 1 d . . .
O3 O 0.4701(5) 0.2696(4) 0.2901(2) 0.0984(13) Uani 1 1 d . . .
O4 O 0.2509(4) 0.1477(3) 0.1959(3) 0.0852(12) Uani 1 1 d . . .
O5 O 0.4677(4) 0.1796(3) 0.1631(3) 0.0908(12) Uani 1 1 d . . .
C1 C 0.3190(4) 0.6613(4) 0.2542(2) 0.0503(9) Uani 1 1 d . . .
C2 C 0.3729(4) 0.5756(3) 0.2093(2) 0.0431(8) Uani 1 1 d . . .
C3 C 0.3534(4) 0.4540(4) 0.2245(2) 0.0434(8) Uani 1 1 d . . .
H3 H 0.3016 0.4216 0.2604 0.052 Uiso 1 1 calc R . .
C4 C 0.4118(4) 0.3801(4) 0.1858(2) 0.0450(8) Uani 1 1 d . . .
C5 C 0.4851(5) 0.4261(4) 0.1315(2) 0.0576(10) Uani 1 1 d . . .
H5 H 0.5227 0.3762 0.1057 0.069 Uiso 1 1 calc R . .
C6 C 0.5034(5) 0.5462(4) 0.1150(3) 0.0616(11) Uani 1 1 d . . .
H6 H 0.5530 0.5772 0.0781 0.074 Uiso 1 1 calc R . .
C7 C 0.4469(5) 0.6202(4) 0.1542(2) 0.0533(9) Uani 1 1 d . . .
H7 H 0.4592 0.7011 0.1431 0.064 Uiso 1 1 calc R . .
C8 C 0.3674(4) 0.8094(4) 0.5495(2) 0.0514(9) Uani 1 1 d . . .
H8 H 0.3620 0.7251 0.5463 0.062 Uiso 1 1 calc R . .
C9 C 0.4376(4) 0.9115(5) 0.6135(2) 0.0560(10) Uani 1 1 d . . .
H9 H 0.4868 0.9096 0.6599 0.067 Uiso 1 1 calc R . .
C10 C 0.4188(4) 1.0148(4) 0.5939(2) 0.0499(9) Uani 1 1 d . . .
H10 H 0.4531 1.0987 0.6249 0.060 Uiso 1 1 calc R . .
C11 C 0.2816(4) 1.0460(4) 0.4800(2) 0.0455(8) Uani 1 1 d . . .
H11A H 0.2770 1.0202 0.4259 0.055 Uiso 1 1 calc R . .
H11B H 0.3428 1.1398 0.4967 0.055 Uiso 1 1 calc R . .
C12 C 0.1353(3) 1.0202(3) 0.49139(18) 0.0356(7) Uani 1 1 d . . .
C13 C 0.0535(4) 0.9143(3) 0.51936(19) 0.0391(7) Uani 1 1 d . . .
H13 H 0.0891 0.8558 0.5326 0.047 Uiso 1 1 calc R . .
C14 C 0.0801(4) 1.1062(3) 0.4720(2) 0.0390(7) Uani 1 1 d . . .
H14 H 0.1335 1.1780 0.4531 0.047 Uiso 1 1 calc R . .
C15 C -0.0963(5) 0.7969(5) 0.3240(2) 0.0601(11) Uani 1 1 d . . .
H15 H -0.0371 0.8806 0.3190 0.072 Uiso 1 1 calc R . .
C16 C -0.2359(6) 0.7535(7) 0.3189(3) 0.0776(15) Uani 1 1 d . . .
H16 H -0.2895 0.7994 0.3096 0.093 Uiso 1 1 calc R . .
C17 C -0.2817(5) 0.6301(7) 0.3301(3) 0.0827(16) Uani 1 1 d . . .
H17 H -0.3743 0.5744 0.3303 0.099 Uiso 1 1 calc R . .
C18 C -0.1641(6) 0.4790(5) 0.3512(3) 0.0744(13) Uani 1 1 d . . .
H18A H -0.1238 0.4505 0.3115 0.089 Uiso 1 1 calc R . .
H18B H -0.2593 0.4113 0.3453 0.089 Uiso 1 1 calc R . .
C19 C -0.0772(5) 0.4929(4) 0.4288(2) 0.0580(10) Uani 1 1 d . . .
C20 C -0.1099(5) 0.5349(4) 0.4958(3) 0.0624(11) Uani 1 1 d . . .
H20 H -0.1839 0.5590 0.4937 0.075 Uiso 1 1 calc R . .
C21 C 0.0321(5) 0.4587(4) 0.4335(3) 0.0623(11) Uani 1 1 d . . .
H21 H 0.0553 0.4307 0.3888 0.075 Uiso 1 1 calc R . .
C22 C 0.2553(5) 0.1283(4) -0.0113(3) 0.0625(11) Uani 1 1 d . . .
H22 H 0.3044 0.1056 0.0266 0.075 Uiso 1 1 calc R . .
C23 C 0.2782(7) 0.1297(5) -0.0836(3) 0.0797(16) Uani 1 1 d . . .
H23 H 0.3435 0.1083 -0.1041 0.096 Uiso 1 1 calc R . .
C24 C 0.1867(7) 0.1685(5) -0.1187(3) 0.0848(17) Uani 1 1 d . . .
H24 H 0.1779 0.1798 -0.1688 0.102 Uiso 1 1 calc R . .
C25 C 0.0021(5) 0.2361(5) -0.0811(3) 0.0767(14) Uani 1 1 d . . .
H25A H -0.0462 0.2241 -0.0393 0.092 Uiso 1 1 calc R . .
H25B H -0.0669 0.1838 -0.1282 0.092 Uiso 1 1 calc R . .
C26 C 0.0626(4) 0.3805(4) -0.0851(2) 0.0557(10) Uani 1 1 d . . .
C27 C 0.1630(6) 0.4789(5) -0.0255(3) 0.0760(15) Uani 1 1 d . . .
H27 H 0.1951 0.4569 0.0187 0.091 Uiso 1 1 calc R . .
C28 C 0.2162(5) 0.6092(5) -0.0307(2) 0.0688(13) Uani 1 1 d . . .
H28 H 0.2847 0.6735 0.0099 0.083 Uiso 1 1 calc R . .
C29 C 0.1702(4) 0.6463(4) -0.0946(2) 0.0461(8) Uani 1 1 d . . .
C30 C 0.0682(5) 0.5477(4) -0.1537(2) 0.0561(10) Uani 1 1 d . . .
H30 H 0.0338 0.5699 -0.1972 0.067 Uiso 1 1 calc R . .
C31 C 0.0167(5) 0.4165(4) -0.1489(2) 0.0593(10) Uani 1 1 d . . .
H31 H -0.0503 0.3518 -0.1898 0.071 Uiso 1 1 calc R . .
C32 C 0.2351(4) 0.7899(4) -0.0976(2) 0.0532(9) Uani 1 1 d . . .
H32A H 0.2205 0.8400 -0.0543 0.064 Uiso 1 1 calc R . .
H32B H 0.3360 0.8203 -0.0923 0.064 Uiso 1 1 calc R . .
C33 C 0.2345(4) 0.8395(4) -0.2281(2) 0.0580(10) Uani 1 1 d . . .
H33 H 0.3213 0.8422 -0.2335 0.070 Uiso 1 1 calc R . .
C34 C 0.1431(5) 0.8579(5) -0.2807(3) 0.0659(11) Uani 1 1 d . . .
H34 H 0.1548 0.8762 -0.3284 0.079 Uiso 1 1 calc R . .
C35 C 0.0298(5) 0.8436(4) -0.2485(2) 0.0570(10) Uani 1 1 d . . .
H35 H -0.0500 0.8503 -0.2720 0.068 Uiso 1 1 calc R . .
O1W O 0.2000(4) 0.9256(4) 0.2758(2) 0.0802(10) Uani 1 1 d D . .
O2W O 0.4489(5) 0.6057(4) 0.4319(2) 0.0949(13) Uani 1 1 d D . .
O3W O 0.3953(6) -0.0984(4) 0.1134(3) 0.1070(15) Uani 1 1 d D . .
O4W O 0.3803(6) 0.3397(5) 0.4218(3) 0.1156(16) Uani 1 1 d D . .
H3A H 0.406(6) -0.020(2) 0.126(2) 0.080 Uiso 1 1 d D . .
H1B H 0.221(5) 0.993(3) 0.256(3) 0.080 Uiso 1 1 d D . .
H3B H 0.380(6) -0.132(4) 0.1519(18) 0.080 Uiso 1 1 d D . .
H1A H 0.252(5) 0.889(4) 0.262(3) 0.080 Uiso 1 1 d D . .
H2A H 0.401(5) 0.618(4) 0.3944(19) 0.080 Uiso 1 1 d D . .
H4B H 0.396(4) 0.327(5) 0.4671(13) 0.080 Uiso 1 1 d D . .
H2B H 0.431(5) 0.5247(17) 0.423(3) 0.080 Uiso 1 1 d D . .
H4A H 0.465(2) 0.376(5) 0.413(3) 0.080 Uiso 1 1 d 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 N3 2.234(3) . ?
Ag1 N1 2.257(3) . ?
Ag1 O1 2.299(3) . ?
Ag2 N8 2.110(3) 2_565 ?
Ag2 N5 2.113(3) . ?
S1 O4 1.404(4) . ?
S1 O5 1.442(4) . ?
S1 O3 1.447(4) . ?
S1 C4 1.761(4) . ?
N1 C8 1.326(5) . ?
N1 N2 1.349(4) . ?
N2 C10 1.338(5) . ?
N2 C11 1.449(4) . ?
N3 C15 1.332(5) . ?
N3 N4 1.350(5) . ?
N4 C17 1.353(6) . ?
N4 C18 1.447(6) . ?
N5 C22 1.335(6) . ?
N5 N6 1.343(5) . ?
N6 C24 1.340(7) . ?
N6 C25 1.455(7) . ?
N7 C33 1.330(5) . ?
N7 N8 1.358(4) . ?
N7 C32 1.452(5) . ?
N8 C35 1.328(5) . ?
N8 Ag2 2.110(3) 2_565 ?
O1 C1 1.250(5) . ?
O2 C1 1.237(5) . ?
C1 C2 1.517(5) . ?
C2 C7 1.384(6) . ?
C2 C3 1.386(5) . ?
C3 C4 1.402(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.371(6) . ?
C5 C6 1.381(6) . ?
C5 H5 0.9300 . ?
C6 C7 1.392(6) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 C9 1.383(6) . ?
C8 H8 0.9300 . ?
C9 C10 1.354(6) . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C11 C12 1.513(4) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 C13 1.382(5) . ?
C12 C14 1.388(5) . ?
C13 C14 1.379(5) 2_576 ?
C13 H13 0.9300 . ?
C14 C13 1.379(5) 2_576 ?
C14 H14 0.9300 . ?
C15 C16 1.345(7) . ?
C15 H15 0.9300 . ?
C16 C17 1.341(8) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C18 C19 1.514(7) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C21 1.363(7) . ?
C19 C20 1.382(6) . ?
C20 C21 1.395(7) 2_566 ?
C20 H20 0.9300 . ?
C21 C20 1.395(7) 2_566 ?
C21 H21 0.9300 . ?
C22 C23 1.366(7) . ?
C22 H22 0.9300 . ?
C23 C24 1.340(9) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 C26 1.518(6) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 C31 1.369(6) . ?
C26 C27 1.383(6) . ?
C27 C28 1.377(7) . ?
C27 H27 0.9300 . ?
C28 C29 1.377(6) . ?
C28 H28 0.9300 . ?
C29 C30 1.384(5) . ?
C29 C32 1.505(6) . ?
C30 C31 1.385(6) . ?
C30 H30 0.9300 . ?
C31 H31 0.9300 . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C33 C34 1.359(6) . ?
C33 H33 0.9300 . ?
C34 C35 1.373(6) . ?
C34 H34 0.9300 . ?
C35 H35 0.9300 . ?
O1W H1B 0.858(10) . ?
O1W H1A 0.858(10) . ?
O2W H2A 0.849(10) . ?
O2W H2B 0.847(10) . ?
O3W H3A 0.849(10) . ?
O3W H3B 0.848(10) . ?
O4W H4B 0.855(10) . ?
O4W H4A 0.878(10) . ?

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
N3 Ag1 N1 125.54(11) . . ?
N3 Ag1 O1 120.92(12) . . ?
N1 Ag1 O1 113.04(11) . . ?
N8 Ag2 N5 169.24(13) 2_565 . ?
O4 S1 O5 112.1(3) . . ?
O4 S1 O3 115.7(3) . . ?
O5 S1 O3 110.3(3) . . ?
O4 S1 C4 106.78(17) . . ?
O5 S1 C4 106.6(2) . . ?
O3 S1 C4 104.6(2) . . ?
C8 N1 N2 104.8(3) . . ?
C8 N1 Ag1 131.3(3) . . ?
N2 N1 Ag1 123.7(2) . . ?
C10 N2 N1 111.1(3) . . ?
C10 N2 C11 127.6(3) . . ?
N1 N2 C11 120.8(3) . . ?
C15 N3 N4 105.0(4) . . ?
C15 N3 Ag1 128.0(3) . . ?
N4 N3 Ag1 124.9(3) . . ?
N3 N4 C17 109.2(4) . . ?
N3 N4 C18 120.4(4) . . ?
C17 N4 C18 130.3(5) . . ?
C22 N5 N6 105.9(4) . . ?
C22 N5 Ag2 127.6(3) . . ?
N6 N5 Ag2 126.4(3) . . ?
C24 N6 N5 109.3(4) . . ?
C24 N6 C25 129.0(4) . . ?
N5 N6 C25 121.7(4) . . ?
C33 N7 N8 110.5(3) . . ?
C33 N7 C32 128.2(3) . . ?
N8 N7 C32 121.3(3) . . ?
C35 N8 N7 105.4(3) . . ?
C35 N8 Ag2 127.3(3) . 2_565 ?
N7 N8 Ag2 126.2(2) . 2_565 ?
C1 O1 Ag1 120.7(3) . . ?
O2 C1 O1 124.9(4) . . ?
O2 C1 C2 118.7(4) . . ?
O1 C1 C2 116.4(3) . . ?
C7 C2 C3 119.0(3) . . ?
C7 C2 C1 120.2(3) . . ?
C3 C2 C1 120.8(3) . . ?
C2 C3 C4 119.9(4) . . ?
C2 C3 H3 120.0 . . ?
C4 C3 H3 120.0 . . ?
C5 C4 C3 120.2(3) . . ?
C5 C4 S1 120.6(3) . . ?
C3 C4 S1 119.1(3) . . ?
C4 C5 C6 120.4(4) . . ?
C4 C5 H5 119.8 . . ?
C6 C5 H5 119.8 . . ?
C5 C6 C7 119.2(4) . . ?
C5 C6 H6 120.4 . . ?
C7 C6 H6 120.4 . . ?
C2 C7 C6 121.2(4) . . ?
C2 C7 H7 119.4 . . ?
C6 C7 H7 119.4 . . ?
N1 C8 C9 111.4(3) . . ?
N1 C8 H8 124.3 . . ?
C9 C8 H8 124.3 . . ?
C10 C9 C8 104.8(3) . . ?
C10 C9 H9 127.6 . . ?
C8 C9 H9 127.6 . . ?
N2 C10 C9 107.9(4) . . ?
N2 C10 H10 126.1 . . ?
C9 C10 H10 126.1 . . ?
N2 C11 C12 112.4(3) . . ?
N2 C11 H11A 109.1 . . ?
C12 C11 H11A 109.1 . . ?
N2 C11 H11B 109.1 . . ?
C12 C11 H11B 109.1 . . ?
H11A C11 H11B 107.8 . . ?
C13 C12 C14 118.6(3) . . ?
C13 C12 C11 123.0(3) . . ?
C14 C12 C11 118.4(3) . . ?
C14 C13 C12 121.0(3) 2_576 . ?
C14 C13 H13 119.5 2_576 . ?
C12 C13 H13 119.5 . . ?
C13 C14 C12 120.4(3) 2_576 . ?
C13 C14 H14 119.8 2_576 . ?
C12 C14 H14 119.8 . . ?
N3 C15 C16 111.9(5) . . ?
N3 C15 H15 124.1 . . ?
C16 C15 H15 124.1 . . ?
C17 C16 C15 105.6(5) . . ?
C17 C16 H16 127.2 . . ?
C15 C16 H16 127.2 . . ?
C16 C17 N4 108.3(5) . . ?
C16 C17 H17 125.8 . . ?
N4 C17 H17 125.8 . . ?
N4 C18 C19 112.8(4) . . ?
N4 C18 H18A 109.0 . . ?
C19 C18 H18A 109.0 . . ?
N4 C18 H18B 109.0 . . ?
C19 C18 H18B 109.0 . . ?
H18A C18 H18B 107.8 . . ?
C21 C19 C20 118.7(4) . . ?
C21 C19 C18 120.0(4) . . ?
C20 C19 C18 121.2(5) . . ?
C19 C20 C21 120.2(4) . 2_566 ?
C19 C20 H20 119.9 . . ?
C21 C20 H20 119.9 2_566 . ?
C19 C21 C20 121.1(4) . 2_566 ?
C19 C21 H21 119.4 . . ?
C20 C21 H21 119.4 2_566 . ?
N5 C22 C23 110.5(5) . . ?
N5 C22 H22 124.8 . . ?
C23 C22 H22 124.8 . . ?
C24 C23 C22 105.3(5) . . ?
C24 C23 H23 127.3 . . ?
C22 C23 H23 127.3 . . ?
N6 C24 C23 109.0(4) . . ?
N6 C24 H24 125.5 . . ?
C23 C24 H24 125.5 . . ?
N6 C25 C26 112.7(4) . . ?
N6 C25 H25A 109.1 . . ?
C26 C25 H25A 109.1 . . ?
N6 C25 H25B 109.1 . . ?
C26 C25 H25B 109.1 . . ?
H25A C25 H25B 107.8 . . ?
C31 C26 C27 118.0(4) . . ?
C31 C26 C25 119.8(4) . . ?
C27 C26 C25 122.1(4) . . ?
C28 C27 C26 120.9(4) . . ?
C28 C27 H27 119.6 . . ?
C26 C27 H27 119.6 . . ?
C27 C28 C29 121.5(4) . . ?
C27 C28 H28 119.3 . . ?
C29 C28 H28 119.3 . . ?
C28 C29 C30 117.6(4) . . ?
C28 C29 C32 118.9(4) . . ?
C30 C29 C32 123.6(3) . . ?
C29 C30 C31 120.9(4) . . ?
C29 C30 H30 119.5 . . ?
C31 C30 H30 119.5 . . ?
C26 C31 C30 121.2(4) . . ?
C26 C31 H31 119.4 . . ?
C30 C31 H31 119.4 . . ?
N7 C32 C29 113.9(3) . . ?
N7 C32 H32A 108.8 . . ?
C29 C32 H32A 108.8 . . ?
N7 C32 H32B 108.8 . . ?
C29 C32 H32B 108.8 . . ?
H32A C32 H32B 107.7 . . ?
N7 C33 C34 107.9(4) . . ?
N7 C33 H33 126.0 . . ?
C34 C33 H33 126.0 . . ?
C33 C34 C35 105.5(4) . . ?
C33 C34 H34 127.2 . . ?
C35 C34 H34 127.2 . . ?
N8 C35 C34 110.7(4) . . ?
N8 C35 H35 124.6 . . ?
C34 C35 H35 124.6 . . ?
H1B O1W H1A 105.6(16) . . ?
H2A O2W H2B 107.7(17) . . ?
H3A O3W H3B 107.3(17) . . ?
H4B O4W H4A 103.7(16) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N3 Ag1 N1 C8 118.1(3) . . . . ?
O1 Ag1 N1 C8 -53.8(3) . . . . ?
N3 Ag1 N1 N2 -56.4(3) . . . . ?
O1 Ag1 N1 N2 131.8(2) . . . . ?
C8 N1 N2 C10 -0.2(4) . . . . ?
Ag1 N1 N2 C10 175.5(2) . . . . ?
C8 N1 N2 C11 -172.5(3) . . . . ?
Ag1 N1 N2 C11 3.2(4) . . . . ?
N1 Ag1 N3 C15 66.2(4) . . . . ?
O1 Ag1 N3 C15 -122.5(3) . . . . ?
N1 Ag1 N3 N4 -94.9(3) . . . . ?
O1 Ag1 N3 N4 76.4(3) . . . . ?
C15 N3 N4 C17 0.2(5) . . . . ?
Ag1 N3 N4 C17 164.8(3) . . . . ?
C15 N3 N4 C18 177.1(4) . . . . ?
Ag1 N3 N4 C18 -18.3(5) . . . . ?
N8 Ag2 N5 C22 -148.9(6) 2_565 . . . ?
N8 Ag2 N5 N6 29.8(9) 2_565 . . . ?
C22 N5 N6 C24 -0.6(5) . . . . ?
Ag2 N5 N6 C24 -179.5(3) . . . . ?
C22 N5 N6 C25 -177.1(4) . . . . ?
Ag2 N5 N6 C25 4.0(5) . . . . ?
C33 N7 N8 C35 -0.1(4) . . . . ?
C32 N7 N8 C35 -178.7(3) . . . . ?
C33 N7 N8 Ag2 -168.5(3) . . . 2_565 ?
C32 N7 N8 Ag2 12.9(5) . . . 2_565 ?
N3 Ag1 O1 C1 86.4(3) . . . . ?
N1 Ag1 O1 C1 -101.3(3) . . . . ?
Ag1 O1 C1 O2 2.4(6) . . . . ?
Ag1 O1 C1 C2 -178.0(2) . . . . ?
O2 C1 C2 C7 4.2(5) . . . . ?
O1 C1 C2 C7 -175.4(4) . . . . ?
O2 C1 C2 C3 -178.2(4) . . . . ?
O1 C1 C2 C3 2.3(5) . . . . ?
C7 C2 C3 C4 1.8(5) . . . . ?
C1 C2 C3 C4 -175.9(3) . . . . ?
C2 C3 C4 C5 -1.7(6) . . . . ?
C2 C3 C4 S1 175.8(3) . . . . ?
O4 S1 C4 C5 -121.3(4) . . . . ?
O5 S1 C4 C5 -1.4(4) . . . . ?
O3 S1 C4 C5 115.6(4) . . . . ?
O4 S1 C4 C3 61.3(4) . . . . ?
O5 S1 C4 C3 -178.8(3) . . . . ?
O3 S1 C4 C3 -61.8(4) . . . . ?
C3 C4 C5 C6 0.7(6) . . . . ?
S1 C4 C5 C6 -176.7(4) . . . . ?
C4 C5 C6 C7 0.2(7) . . . . ?
C3 C2 C7 C6 -0.9(6) . . . . ?
C1 C2 C7 C6 176.8(4) . . . . ?
C5 C6 C7 C2 0.0(7) . . . . ?
N2 N1 C8 C9 0.0(4) . . . . ?
Ag1 N1 C8 C9 -175.2(3) . . . . ?
N1 C8 C9 C10 0.1(4) . . . . ?
N1 N2 C10 C9 0.3(4) . . . . ?
C11 N2 C10 C9 171.9(3) . . . . ?
C8 C9 C10 N2 -0.3(4) . . . . ?
C10 N2 C11 C12 -88.8(4) . . . . ?
N1 N2 C11 C12 82.0(4) . . . . ?
N2 C11 C12 C13 -17.5(5) . . . . ?
N2 C11 C12 C14 163.2(3) . . . . ?
C14 C12 C13 C14 0.0(6) . . . 2_576 ?
C11 C12 C13 C14 -179.3(3) . . . 2_576 ?
C13 C12 C14 C13 0.0(6) . . . 2_576 ?
C11 C12 C14 C13 179.3(3) . . . 2_576 ?
N4 N3 C15 C16 -0.6(5) . . . . ?
Ag1 N3 C15 C16 -164.6(3) . . . . ?
N3 C15 C16 C17 0.7(6) . . . . ?
C15 C16 C17 N4 -0.5(6) . . . . ?
N3 N4 C17 C16 0.2(6) . . . . ?
C18 N4 C17 C16 -176.3(5) . . . . ?
N3 N4 C18 C19 66.9(6) . . . . ?
C17 N4 C18 C19 -116.9(5) . . . . ?
N4 C18 C19 C21 -125.1(5) . . . . ?
N4 C18 C19 C20 57.5(6) . . . . ?
C21 C19 C20 C21 -0.3(7) . . . 2_566 ?
C18 C19 C20 C21 177.1(4) . . . 2_566 ?
C20 C19 C21 C20 0.3(7) . . . 2_566 ?
C18 C19 C21 C20 -177.2(4) . . . 2_566 ?
N6 N5 C22 C23 0.1(5) . . . . ?
Ag2 N5 C22 C23 179.0(3) . . . . ?
N5 C22 C23 C24 0.4(6) . . . . ?
N5 N6 C24 C23 0.8(6) . . . . ?
C25 N6 C24 C23 177.1(4) . . . . ?
C22 C23 C24 N6 -0.8(6) . . . . ?
C24 N6 C25 C26 -69.3(6) . . . . ?
N5 N6 C25 C26 106.6(5) . . . . ?
N6 C25 C26 C31 121.2(5) . . . . ?
N6 C25 C26 C27 -59.4(7) . . . . ?
C31 C26 C27 C28 -0.7(8) . . . . ?
C25 C26 C27 C28 179.9(5) . . . . ?
C26 C27 C28 C29 0.9(9) . . . . ?
C27 C28 C29 C30 0.0(7) . . . . ?
C27 C28 C29 C32 -178.5(5) . . . . ?
C28 C29 C30 C31 -1.2(7) . . . . ?
C32 C29 C30 C31 177.3(4) . . . . ?
C27 C26 C31 C30 -0.5(7) . . . . ?
C25 C26 C31 C30 179.0(5) . . . . ?
C29 C30 C31 C26 1.4(7) . . . . ?
C33 N7 C32 C29 -101.5(5) . . . . ?
N8 N7 C32 C29 76.8(4) . . . . ?
C28 C29 C32 N7 -179.9(4) . . . . ?
C30 C29 C32 N7 1.7(5) . . . . ?
N8 N7 C33 C34 0.5(5) . . . . ?
C32 N7 C33 C34 179.0(4) . . . . ?
N7 C33 C34 C35 -0.6(5) . . . . ?
N7 N8 C35 C34 -0.3(5) . . . . ?
Ag2 N8 C35 C34 167.9(3) 2_565 . . . ?
C33 C34 C35 N8 0.6(6) . . . . ?

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        25.10
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         1.172
_refine_diff_density_min         -0.749
_refine_diff_density_rms         0.078
_database_code_depnum_ccdc_archive 'CCDC 958102'

data_mo_20111210a_0m

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C21 H23 Ag N4 O7 S'
_chemical_formula_weight         583.36

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'
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'

_symmetry_cell_setting           ?
_symmetry_space_group_name_H-M   ?

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.2280(4)
_cell_length_b                   10.4465(5)
_cell_length_c                   13.3444(7)
_cell_angle_alpha                92.4270(10)
_cell_angle_beta                 90.6310(10)
_cell_angle_gamma                94.1050(10)
_cell_volume                     1142.92(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    295(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.695
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             592
_exptl_absorpt_coefficient_mu    1.024
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      295(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            9446
_diffrn_reflns_av_R_equivalents  0.0240
_diffrn_reflns_av_sigmaI/netI    0.0341
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.53
_diffrn_reflns_theta_max         25.10
_reflns_number_total             4005
_reflns_number_gt                3413
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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     
'calc w=1/[σ²(Fo²)+(0.0708P)²+0.6010P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4005
_refine_ls_number_parameters     322
_refine_ls_number_restraints     7
_refine_ls_R_factor_all          0.0417
_refine_ls_R_factor_gt           0.0322
_refine_ls_wR_factor_ref         0.1180
_refine_ls_wR_factor_gt          0.0945
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_restrained_S_all      1.087
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.83750(4) 0.86947(3) 0.71387(2) 0.04540(15) Uani 1 1 d . . .
S1 S 0.74698(13) 1.15961(9) 0.81541(7) 0.0398(2) Uani 1 1 d . . .
N1 N 0.6090(4) 0.7833(3) 0.7638(2) 0.0369(7) Uani 1 1 d . . .
N2 N 0.5631(4) 0.6576(3) 0.7527(2) 0.0335(7) Uani 1 1 d . . .
N3 N 1.0553(4) 0.9015(3) 0.6285(2) 0.0392(7) Uani 1 1 d . . .
N4 N 1.0848(4) 0.8590(3) 0.5333(2) 0.0375(7) Uani 1 1 d . . .
O1 O 0.7962(4) 1.7559(3) 1.0213(2) 0.0498(7) Uani 1 1 d D . .
H1A H 0.811(7) 1.833(2) 1.042(4) 0.080 Uiso 1 1 d D . .
O2 O 0.9743(4) 1.7877(3) 0.8983(2) 0.0459(7) Uani 1 1 d . . .
O3 O 0.8940(4) 1.1051(3) 0.7856(3) 0.0790(12) Uani 1 1 d . . .
O4 O 0.6700(5) 1.0973(3) 0.8984(2) 0.0663(10) Uani 1 1 d . . .
O5 O 0.6337(4) 1.1703(3) 0.7331(2) 0.0587(8) Uani 1 1 d . . .
C1 C 0.4888(5) 0.8364(4) 0.8134(3) 0.0461(10) Uani 1 1 d . . .
H1 H 0.4879 0.9231 0.8319 0.055 Uiso 1 1 calc R . .
C2 C 0.3646(5) 0.7429(4) 0.8334(3) 0.0492(10) Uani 1 1 d . . .
H2 H 0.2683 0.7544 0.8675 0.059 Uiso 1 1 calc R . .
C3 C 0.4157(5) 0.6310(4) 0.7921(3) 0.0416(9) Uani 1 1 d . . .
H3 H 0.3586 0.5508 0.7913 0.050 Uiso 1 1 calc R . .
C4 C 0.6556(5) 0.5690(4) 0.6925(3) 0.0373(8) Uani 1 1 d . . .
H4A H 0.6673 0.4918 0.7290 0.045 Uiso 1 1 calc R . .
H4B H 0.7637 0.6087 0.6814 0.045 Uiso 1 1 calc R . .
C5 C 0.5734(4) 0.5332(4) 0.5926(3) 0.0323(8) Uani 1 1 d . . .
C6 C 0.5233(5) 0.6279(4) 0.5318(3) 0.0364(8) Uani 1 1 d . . .
H6 H 0.5388 0.7139 0.5530 0.044 Uiso 1 1 calc R . .
C7 C 0.4502(5) 0.5943(4) 0.4394(3) 0.0364(8) Uani 1 1 d . . .
H7 H 0.4169 0.6579 0.3988 0.044 Uiso 1 1 calc R . .
C8 C 1.1918(5) 0.9719(4) 0.6593(3) 0.0471(10) Uani 1 1 d . . .
H8 H 1.2070 1.0126 0.7224 0.056 Uiso 1 1 calc R . .
C9 C 1.3057(5) 0.9751(4) 0.5844(4) 0.0521(11) Uani 1 1 d . . .
H9 H 1.4088 1.0179 0.5869 0.063 Uiso 1 1 calc R . .
C10 C 1.2366(6) 0.9029(4) 0.5059(3) 0.0494(11) Uani 1 1 d . . .
H10 H 1.2846 0.8865 0.4444 0.059 Uiso 1 1 calc R . .
C11 C 0.9681(5) 0.7730(4) 0.4769(3) 0.0431(9) Uani 1 1 d . . .
H11A H 0.9781 0.7899 0.4062 0.052 Uiso 1 1 calc R . .
H11B H 0.8591 0.7919 0.4970 0.052 Uiso 1 1 calc R . .
C12 C 0.9883(5) 0.6320(3) 0.4906(3) 0.0332(8) Uani 1 1 d . . .
C13 C 0.9039(5) 0.5432(4) 0.4248(3) 0.0363(8) Uani 1 1 d . . .
H13 H 0.8389 0.5717 0.3741 0.044 Uiso 1 1 calc R . .
C14 C 0.9160(5) 0.4122(4) 0.4345(3) 0.0357(8) Uani 1 1 d . . .
H14 H 0.8592 0.3539 0.3901 0.043 Uiso 1 1 calc R . .
C15 C 0.8820(4) 1.7163(3) 0.9463(3) 0.0325(8) Uani 1 1 d . . .
C16 C 0.8564(4) 1.5765(3) 0.9201(2) 0.0293(7) Uani 1 1 d . . .
C17 C 0.7267(5) 1.5036(3) 0.9588(3) 0.0366(8) Uani 1 1 d . . .
H17 H 0.6602 1.5409 1.0060 0.044 Uiso 1 1 calc R . .
C18 C 0.6948(5) 1.3761(4) 0.9281(3) 0.0373(8) Uani 1 1 d . . .
H18 H 0.6047 1.3285 0.9521 0.045 Uiso 1 1 calc R . .
C19 C 0.7993(4) 1.3201(3) 0.8608(3) 0.0322(8) Uani 1 1 d . . .
C20 C 0.9340(4) 1.3902(4) 0.8252(3) 0.0345(8) Uani 1 1 d . . .
H20 H 1.0060 1.3514 0.7823 0.041 Uiso 1 1 calc R . .
C21 C 0.9599(4) 1.5182(3) 0.8542(3) 0.0334(8) Uani 1 1 d . . .
H21 H 1.0485 1.5664 0.8290 0.040 Uiso 1 1 calc R . .
O1W O 0.8091(4) 1.9935(3) 1.0614(2) 0.0515(7) Uani 1 1 d D . .
O2W O 0.6721(5) 1.6972(4) 1.2292(3) 0.0755(10) Uani 1 1 d D . .
H1B H 0.898(4) 2.038(4) 1.076(4) 0.080 Uiso 1 1 d D . .
H1C H 0.776(6) 2.022(5) 1.006(2) 0.080 Uiso 1 1 d D . .
H2B H 0.592(5) 1.740(5) 1.246(4) 0.080 Uiso 1 1 d D . .
H2A H 0.712(6) 1.730(5) 1.176(3) 0.080 Uiso 1 1 d 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 N3 2.148(3) . ?
Ag1 N1 2.151(3) . ?
Ag1 O3 2.612(3) . ?
Ag1 O2 2.883(3) 1_545 ?
S1 O3 1.427(4) . ?
S1 O4 1.439(3) . ?
S1 O5 1.446(3) . ?
S1 C19 1.780(4) . ?
N1 C1 1.335(5) . ?
N1 N2 1.342(4) . ?
N2 C3 1.342(5) . ?
N2 C4 1.460(4) . ?
N3 C8 1.348(5) . ?
N3 N4 1.359(4) . ?
N4 C10 1.358(5) . ?
N4 C11 1.448(5) . ?
O1 C15 1.301(5) . ?
O1 H1A 0.841(10) . ?
O2 C15 1.230(5) . ?
C1 C2 1.398(6) . ?
C1 H1 0.9300 . ?
C2 C3 1.368(6) . ?
C2 H2 0.9300 . ?
C3 H3 0.9300 . ?
C4 C5 1.508(5) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C7 1.381(5) 2_666 ?
C5 C6 1.388(5) . ?
C6 C7 1.386(5) . ?
C6 H6 0.9300 . ?
C7 C5 1.381(5) 2_666 ?
C7 H7 0.9300 . ?
C8 C9 1.378(6) . ?
C8 H8 0.9300 . ?
C9 C10 1.359(7) . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C11 C12 1.513(5) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 C14 1.381(5) 2_766 ?
C12 C13 1.392(5) . ?
C13 C14 1.390(5) . ?
C13 H13 0.9300 . ?
C14 C12 1.381(5) 2_766 ?
C14 H14 0.9300 . ?
C15 C16 1.487(5) . ?
C16 C17 1.383(5) . ?
C16 C21 1.384(5) . ?
C17 C18 1.384(5) . ?
C17 H17 0.9300 . ?
C18 C19 1.390(5) . ?
C18 H18 0.9300 . ?
C19 C20 1.385(5) . ?
C20 C21 1.378(5) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
O1W H1B 0.858(10) . ?
O1W H1C 0.855(10) . ?
O2W H2B 0.852(10) . ?
O2W H2A 0.856(10) . ?

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
N3 Ag1 N1 160.69(12) . . ?
N3 Ag1 O3 86.61(12) . . ?
N1 Ag1 O3 112.03(12) . . ?
N3 Ag1 O2 100.22(11) . 1_545 ?
N1 Ag1 O2 86.20(10) . 1_545 ?
O3 Ag1 O2 87.26(12) . 1_545 ?
O3 S1 O4 113.2(3) . . ?
O3 S1 O5 113.3(2) . . ?
O4 S1 O5 111.7(2) . . ?
O3 S1 C19 107.5(2) . . ?
O4 S1 C19 104.92(18) . . ?
O5 S1 C19 105.44(17) . . ?
C1 N1 N2 105.9(3) . . ?
C1 N1 Ag1 129.9(3) . . ?
N2 N1 Ag1 124.2(2) . . ?
N1 N2 C3 111.2(3) . . ?
N1 N2 C4 122.1(3) . . ?
C3 N2 C4 126.2(3) . . ?
C8 N3 N4 105.6(3) . . ?
C8 N3 Ag1 126.1(3) . . ?
N4 N3 Ag1 128.3(3) . . ?
C10 N4 N3 110.0(3) . . ?
C10 N4 C11 128.2(3) . . ?
N3 N4 C11 121.7(3) . . ?
C15 O1 H1A 119(4) . . ?
S1 O3 Ag1 111.4(2) . . ?
N1 C1 C2 110.3(4) . . ?
N1 C1 H1 124.8 . . ?
C2 C1 H1 124.8 . . ?
C3 C2 C1 104.9(4) . . ?
C3 C2 H2 127.6 . . ?
C1 C2 H2 127.6 . . ?
N2 C3 C2 107.7(3) . . ?
N2 C3 H3 126.1 . . ?
C2 C3 H3 126.1 . . ?
N2 C4 C5 111.8(3) . . ?
N2 C4 H4A 109.3 . . ?
C5 C4 H4A 109.3 . . ?
N2 C4 H4B 109.3 . . ?
C5 C4 H4B 109.3 . . ?
H4A C4 H4B 107.9 . . ?
C7 C5 C6 119.6(3) 2_666 . ?
C7 C5 C4 120.0(3) 2_666 . ?
C6 C5 C4 120.4(3) . . ?
C7 C6 C5 120.0(3) . . ?
C7 C6 H6 120.0 . . ?
C5 C6 H6 120.0 . . ?
C5 C7 C6 120.4(3) 2_666 . ?
C5 C7 H7 119.8 2_666 . ?
C6 C7 H7 119.8 . . ?
N3 C8 C9 110.6(4) . . ?
N3 C8 H8 124.7 . . ?
C9 C8 H8 124.7 . . ?
C10 C9 C8 105.9(4) . . ?
C10 C9 H9 127.0 . . ?
C8 C9 H9 127.0 . . ?
N4 C10 C9 107.9(4) . . ?
N4 C10 H10 126.0 . . ?
C9 C10 H10 126.0 . . ?
N4 C11 C12 114.2(3) . . ?
N4 C11 H11A 108.7 . . ?
C12 C11 H11A 108.7 . . ?
N4 C11 H11B 108.7 . . ?
C12 C11 H11B 108.7 . . ?
H11A C11 H11B 107.6 . . ?
C14 C12 C13 118.9(3) 2_766 . ?
C14 C12 C11 123.2(3) 2_766 . ?
C13 C12 C11 117.9(3) . . ?
C14 C13 C12 120.4(3) . . ?
C14 C13 H13 119.8 . . ?
C12 C13 H13 119.8 . . ?
C12 C14 C13 120.7(3) 2_766 . ?
C12 C14 H14 119.7 2_766 . ?
C13 C14 H14 119.7 . . ?
O2 C15 O1 123.6(3) . . ?
O2 C15 C16 121.7(3) . . ?
O1 C15 C16 114.6(3) . . ?
C17 C16 C21 119.1(3) . . ?
C17 C16 C15 120.7(3) . . ?
C21 C16 C15 120.2(3) . . ?
C16 C17 C18 120.8(3) . . ?
C16 C17 H17 119.6 . . ?
C18 C17 H17 119.6 . . ?
C17 C18 C19 119.0(4) . . ?
C17 C18 H18 120.5 . . ?
C19 C18 H18 120.5 . . ?
C20 C19 C18 120.8(3) . . ?
C20 C19 S1 121.0(3) . . ?
C18 C19 S1 118.0(3) . . ?
C21 C20 C19 119.0(3) . . ?
C21 C20 H20 120.5 . . ?
C19 C20 H20 120.5 . . ?
C20 C21 C16 121.2(3) . . ?
C20 C21 H21 119.4 . . ?
C16 C21 H21 119.4 . . ?
H1B O1W H1C 105.4(17) . . ?
H2B O2W H2A 106.6(17) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N3 Ag1 N1 C1 -154.8(4) . . . . ?
O3 Ag1 N1 C1 9.3(4) . . . . ?
O2 Ag1 N1 C1 94.8(4) 1_545 . . . ?
N3 Ag1 N1 N2 27.8(6) . . . . ?
O3 Ag1 N1 N2 -168.0(3) . . . . ?
O2 Ag1 N1 N2 -82.5(3) 1_545 . . . ?
C1 N1 N2 C3 1.4(4) . . . . ?
Ag1 N1 N2 C3 179.2(3) . . . . ?
C1 N1 N2 C4 173.3(3) . . . . ?
Ag1 N1 N2 C4 -8.8(4) . . . . ?
N1 Ag1 N3 C8 -158.6(4) . . . . ?
O3 Ag1 N3 C8 36.1(4) . . . . ?
O2 Ag1 N3 C8 -50.5(3) 1_545 . . . ?
N1 Ag1 N3 N4 22.9(6) . . . . ?
O3 Ag1 N3 N4 -142.4(3) . . . . ?
O2 Ag1 N3 N4 131.0(3) 1_545 . . . ?
C8 N3 N4 C10 -0.2(4) . . . . ?
Ag1 N3 N4 C10 178.5(3) . . . . ?
C8 N3 N4 C11 176.3(3) . . . . ?
Ag1 N3 N4 C11 -5.0(5) . . . . ?
O4 S1 O3 Ag1 65.6(3) . . . . ?
O5 S1 O3 Ag1 -62.9(3) . . . . ?
C19 S1 O3 Ag1 -179.03(17) . . . . ?
N3 Ag1 O3 S1 153.2(3) . . . . ?
N1 Ag1 O3 S1 -21.6(3) . . . . ?
O2 Ag1 O3 S1 -106.4(3) 1_545 . . . ?
N2 N1 C1 C2 -0.3(5) . . . . ?
Ag1 N1 C1 C2 -178.0(3) . . . . ?
N1 C1 C2 C3 -0.8(5) . . . . ?
N1 N2 C3 C2 -1.9(4) . . . . ?
C4 N2 C3 C2 -173.5(4) . . . . ?
C1 C2 C3 N2 1.6(5) . . . . ?
N1 N2 C4 C5 -104.1(4) . . . . ?
C3 N2 C4 C5 66.6(5) . . . . ?
N2 C4 C5 C7 -130.5(4) . . . 2_666 ?
N2 C4 C5 C6 50.5(5) . . . . ?
C7 C5 C6 C7 -0.1(6) 2_666 . . . ?
C4 C5 C6 C7 179.0(3) . . . . ?
C5 C6 C7 C5 0.1(6) . . . 2_666 ?
N4 N3 C8 C9 0.6(5) . . . . ?
Ag1 N3 C8 C9 -178.2(3) . . . . ?
N3 C8 C9 C10 -0.8(5) . . . . ?
N3 N4 C10 C9 -0.3(5) . . . . ?
C11 N4 C10 C9 -176.5(4) . . . . ?
C8 C9 C10 N4 0.6(5) . . . . ?
C10 N4 C11 C12 86.7(5) . . . . ?
N3 N4 C11 C12 -89.1(4) . . . . ?
N4 C11 C12 C14 13.5(6) . . . 2_766 ?
N4 C11 C12 C13 -167.5(3) . . . . ?
C14 C12 C13 C14 -0.1(6) 2_766 . . . ?
C11 C12 C13 C14 -179.2(4) . . . . ?
C12 C13 C14 C12 0.1(6) . . . 2_766 ?
O2 C15 C16 C17 -165.0(4) . . . . ?
O1 C15 C16 C17 13.2(5) . . . . ?
O2 C15 C16 C21 13.1(5) . . . . ?
O1 C15 C16 C21 -168.7(3) . . . . ?
C21 C16 C17 C18 -3.6(6) . . . . ?
C15 C16 C17 C18 174.6(3) . . . . ?
C16 C17 C18 C19 2.8(6) . . . . ?
C17 C18 C19 C20 0.3(6) . . . . ?
C17 C18 C19 S1 -175.4(3) . . . . ?
O3 S1 C19 C20 28.8(4) . . . . ?
O4 S1 C19 C20 149.5(3) . . . . ?
O5 S1 C19 C20 -92.4(3) . . . . ?
O3 S1 C19 C18 -155.5(3) . . . . ?
O4 S1 C19 C18 -34.8(4) . . . . ?
O5 S1 C19 C18 83.3(3) . . . . ?
C18 C19 C20 C21 -2.6(5) . . . . ?
S1 C19 C20 C21 173.0(3) . . . . ?
C19 C20 C21 C16 1.8(5) . . . . ?
C17 C16 C21 C20 1.2(5) . . . . ?
C15 C16 C21 C20 -176.9(3) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1 H1A O1W 0.841(10) 1.687(18) 2.511(4) 166(6) .
O1W H1B O2 0.858(10) 2.05(3) 2.825(4) 150(5) 2_797
O1W H1C O4 0.855(10) 1.902(15) 2.745(5) 169(6) 1_565
O2W H2B O5 0.852(10) 2.152(16) 2.994(5) 170(6) 2_687
O2W H2A O1 0.856(10) 2.210(19) 3.039(5) 163(5) .

_diffrn_measured_fraction_theta_max 0.984
_diffrn_reflns_theta_full        25.10
_diffrn_measured_fraction_theta_full 0.984
_refine_diff_density_max         0.531
_refine_diff_density_min         -0.634
_refine_diff_density_rms         0.109
_database_code_depnum_ccdc_archive 'CCDC 958103'
