Supplementary Material (ESI) for Dalton Transactions
This journal is © The Royal Society of Chemistry 2003

data_global

_journal_coden_Cambridge         222

loop_
_publ_author_name
'Xianhe Bu'
'Miao Du'
'Jian-Rong Li'
'Ruo-Hua Zhang'
'Yan Zheng'

_publ_contact_author_name        'Dr Xian-He Bu'
_publ_contact_author_address     
;
Department of Chemistry 
Nankai University 
Tianjin 
300071 
CHINA 
;

_publ_contact_author_email       BUXH@NANKAI.EDU.CN

_publ_requested_journal          Dalton Trans.

_publ_section_title              
;
Tuning the Framework Formation of Novel Silver(I) Coordination Architectures 
with Heterocyclic Thioethers by Altering the Chain Length of the Linker 
Unit or Terminal Groups of Ligands
;

data_1
_database_code_CSD               200123

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C9 H8 Ag N5 O3 S2'
_chemical_formula_weight         406.19

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           Monoclinic
_symmetry_space_group_name_H-M   P2(1)

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

_cell_length_a                   7.431(3)
_cell_length_b                   8.826(3)
_cell_length_c                   10.210(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 106.562(6)
_cell_angle_gamma                90.00
_cell_volume                     641.9(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    273(2)
_cell_measurement_reflns_used    918
_cell_measurement_theta_min      3.02
_cell_measurement_theta_max      26.27

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      0
_exptl_crystal_density_diffrn    2.102
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             400
_exptl_absorpt_coefficient_mu    1.909
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.6468
_exptl_absorpt_correction_T_max  0.8320
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
? 
;

_diffrn_ambient_temperature      273(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            2651
_diffrn_reflns_av_R_equivalents  0.0163
_diffrn_reflns_av_sigmaI/netI    0.0339
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         2.08
_diffrn_reflns_theta_max         25.01
_reflns_number_total             1860
_reflns_number_gt                1667
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and 
goodness of fit S are based on F^2^, conventional R-factors R are based 
on F, with F set to zero for negative F^2^. The threshold expression of 
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is 
not relevant to the choice of reflections for refinement.  R-factors based 
on F^2^ 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/[\s^2^(Fo^2^)+(0.0130P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/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_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.01(3)
_refine_ls_number_reflns         1860
_refine_ls_number_parameters     181
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0295
_refine_ls_R_factor_gt           0.0232
_refine_ls_wR_factor_ref         0.0458
_refine_ls_wR_factor_gt          0.0442
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_restrained_S_all      1.094
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.001

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 0.85234(4) 0.75162(6) 0.45926(3) 0.04800(11) Uani 1 1 d . . .
S1 S 0.8098(2) 0.08186(13) 0.59240(15) 0.0396(3) Uani 1 1 d . . .
S2 S 0.8389(2) 0.42140(14) 0.60906(15) 0.0424(4) Uani 1 1 d . . .
N1 N 0.9782(4) -0.1703(4) 0.6835(4) 0.0357(8) Uani 1 1 d . . .
N2 N 0.9974(5) 0.0177(4) 0.8543(4) 0.0428(9) Uani 1 1 d . . .
N3 N 0.5683(5) 0.2928(4) 0.4142(4) 0.0416(10) Uani 1 1 d . . .
N4 N 0.6780(5) 0.5345(4) 0.3671(4) 0.0374(8) Uani 1 1 d . . .
C1 C 1.0813(5) -0.2623(8) 0.7805(4) 0.0441(10) Uani 1 1 d . . .
H1A H 1.1119 -0.3581 0.7554 0.053 Uiso 1 1 calc R . .
C2 C 1.1437(6) -0.2207(6) 0.9160(4) 0.0523(15) Uani 1 1 d . . .
H2A H 1.2133 -0.2862 0.9828 0.063 Uiso 1 1 calc R . .
C3 C 1.0978(7) -0.0780(6) 0.9470(5) 0.0530(12) Uani 1 1 d . . .
H3A H 1.1389 -0.0462 1.0375 0.064 Uiso 1 1 calc R . .
C4 C 0.9435(5) -0.0316(4) 0.7261(4) 0.0328(9) Uani 1 1 d . . .
C5 C 0.7799(5) 0.2496(8) 0.6832(3) 0.0384(8) Uani 1 1 d . . .
H5A H 0.8581 0.2419 0.7769 0.046 Uiso 1 1 calc R . .
H5B H 0.6503 0.2556 0.6850 0.046 Uiso 1 1 calc R . .
C6 C 0.6723(6) 0.4153(5) 0.4461(4) 0.0360(10) Uani 1 1 d . . .
C7 C 0.4597(5) 0.2856(5) 0.2834(4) 0.0436(14) Uani 1 1 d . . .
H7A H 0.3830 0.2016 0.2545 0.052 Uiso 1 1 calc R . .
C8 C 0.4602(6) 0.4002(5) 0.1919(5) 0.0438(11) Uani 1 1 d . . .
H8A H 0.3880 0.3938 0.1012 0.053 Uiso 1 1 calc R . .
C9 C 0.5697(6) 0.5228(5) 0.2386(5) 0.0421(11) Uani 1 1 d . . .
H9A H 0.5691 0.6020 0.1784 0.050 Uiso 1 1 calc R . .
N5 N 0.6370(6) 0.9233(4) 0.1882(4) 0.0450(9) Uani 1 1 d . . .
O1 O 0.6110(6) 0.9025(5) 0.3020(4) 0.0690(11) Uani 1 1 d . . .
O2 O 0.7730(5) 0.8645(5) 0.1611(4) 0.0725(11) Uani 1 1 d . . .
O3 O 0.5312(5) 1.0070(5) 0.1046(4) 0.0801(12) Uani 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ag1 0.05611(19) 0.04135(17) 0.04430(17) -0.0019(3) 0.01072(13) -0.0042(3)
S1 0.0509(8) 0.0316(7) 0.0350(7) 0.0018(6) 0.0101(6) 0.0064(6)
S2 0.0528(8) 0.0319(7) 0.0374(8) 0.0036(6) 0.0047(6) -0.0083(6)
N1 0.036(2) 0.0284(18) 0.042(2) 0.0025(16) 0.0096(16) 0.0008(15)
N2 0.051(2) 0.042(2) 0.037(2) 0.0038(18) 0.0149(18) -0.0006(18)
N3 0.042(2) 0.032(3) 0.049(2) 0.0005(15) 0.0104(16) 0.0030(15)
N4 0.041(2) 0.030(2) 0.041(2) 0.0024(18) 0.0120(17) 0.0043(16)
C1 0.040(2) 0.030(2) 0.059(3) 0.006(3) 0.0089(18) -0.001(3)
C2 0.058(3) 0.048(4) 0.045(2) 0.019(2) 0.004(2) 0.005(2)
C3 0.064(3) 0.057(3) 0.034(3) 0.007(2) 0.008(2) 0.003(3)
C4 0.035(2) 0.033(2) 0.032(2) 0.0031(18) 0.0130(19) -0.0034(18)
C5 0.050(2) 0.0296(17) 0.0393(19) 0.007(4) 0.0186(16) 0.001(4)
C6 0.040(2) 0.028(2) 0.043(3) 0.001(2) 0.017(2) 0.0041(19)
C7 0.034(2) 0.050(4) 0.043(2) -0.008(2) 0.0049(18) -0.0022(19)
C8 0.040(3) 0.052(3) 0.037(2) -0.004(2) 0.008(2) 0.007(2)
C9 0.051(3) 0.037(3) 0.041(3) 0.007(2) 0.017(2) 0.013(2)
N5 0.053(3) 0.032(2) 0.040(2) -0.0044(19) -0.002(2) -0.0071(19)
O1 0.083(3) 0.068(3) 0.062(3) 0.014(2) 0.030(2) 0.003(2)
O2 0.057(2) 0.083(3) 0.075(3) -0.007(2) 0.016(2) 0.015(2)
O3 0.090(3) 0.084(3) 0.050(2) 0.000(2) -0.006(2) 0.035(2)

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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.318(4) 1_565 ?
Ag1 N4 2.354(4) . ?
Ag1 O1 2.434(4) . ?
S1 C4 1.755(4) . ?
S1 C5 1.794(7) . ?
S2 C6 1.769(4) . ?
S2 C5 1.804(6) . ?
N1 C1 1.340(6) . ?
N1 C4 1.349(5) . ?
N1 Ag1 2.318(4) 1_545 ?
N2 C4 1.328(5) . ?
N2 C3 1.328(6) . ?
N3 C6 1.315(5) . ?
N3 C7 1.350(5) . ?
N4 C6 1.334(5) . ?
N4 C9 1.334(6) . ?
C1 C2 1.378(6) . ?
C1 H1A 0.9300 . ?
C2 C3 1.365(7) . ?
C2 H2A 0.9300 . ?
C3 H3A 0.9300 . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C7 C8 1.378(6) . ?
C7 H7A 0.9300 . ?
C8 C9 1.356(6) . ?
C8 H8A 0.9300 . ?
C9 H9A 0.9300 . ?
N5 O3 1.229(5) . ?
N5 O2 1.235(5) . ?
N5 O1 1.245(5) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ag1 N4 131.16(12) 1_565 . ?
N1 Ag1 O1 120.20(13) 1_565 . ?
N4 Ag1 O1 87.91(15) . . ?
C4 S1 C5 101.2(2) . . ?
C6 S2 C5 100.40(19) . . ?
C1 N1 C4 115.7(4) . . ?
C1 N1 Ag1 122.3(3) . 1_545 ?
C4 N1 Ag1 121.9(3) . 1_545 ?
C4 N2 C3 116.4(4) . . ?
C6 N3 C7 115.3(4) . . ?
C6 N4 C9 114.8(4) . . ?
C6 N4 Ag1 120.6(3) . . ?
C9 N4 Ag1 124.5(3) . . ?
N1 C1 C2 122.6(6) . . ?
N1 C1 H1A 118.7 . . ?
C2 C1 H1A 118.7 . . ?
C3 C2 C1 116.4(5) . . ?
C3 C2 H2A 121.8 . . ?
C1 C2 H2A 121.8 . . ?
N2 C3 C2 123.2(4) . . ?
N2 C3 H3A 118.4 . . ?
C2 C3 H3A 118.4 . . ?
N2 C4 N1 125.7(4) . . ?
N2 C4 S1 121.6(3) . . ?
N1 C4 S1 112.7(3) . . ?
S1 C5 S2 113.33(17) . . ?
S1 C5 H5A 108.9 . . ?
S2 C5 H5A 108.9 . . ?
S1 C5 H5B 108.9 . . ?
S2 C5 H5B 108.9 . . ?
H5A C5 H5B 107.7 . . ?
N3 C6 N4 128.1(4) . . ?
N3 C6 S2 117.5(3) . . ?
N4 C6 S2 114.2(3) . . ?
N3 C7 C8 121.3(4) . . ?
N3 C7 H7A 119.4 . . ?
C8 C7 H7A 119.4 . . ?
C9 C8 C7 117.7(4) . . ?
C9 C8 H8A 121.1 . . ?
C7 C8 H8A 121.1 . . ?
N4 C9 C8 122.8(4) . . ?
N4 C9 H9A 118.6 . . ?
C8 C9 H9A 118.6 . . ?
O3 N5 O2 120.0(4) . . ?
O3 N5 O1 119.9(5) . . ?
O2 N5 O1 120.1(4) . . ?
N5 O1 Ag1 114.5(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
N1 Ag1 N4 C6 -15.4(4) 1_565 . . . ?
O1 Ag1 N4 C6 -144.9(3) . . . . ?
N1 Ag1 N4 C9 160.0(3) 1_565 . . . ?
O1 Ag1 N4 C9 30.4(3) . . . . ?
C4 N1 C1 C2 1.9(6) . . . . ?
Ag1 N1 C1 C2 -174.6(3) 1_545 . . . ?
N1 C1 C2 C3 -1.1(7) . . . . ?
C4 N2 C3 C2 -0.8(7) . . . . ?
C1 C2 C3 N2 0.5(7) . . . . ?
C3 N2 C4 N1 1.7(6) . . . . ?
C3 N2 C4 S1 179.9(3) . . . . ?
C1 N1 C4 N2 -2.2(6) . . . . ?
Ag1 N1 C4 N2 174.3(3) 1_545 . . . ?
C1 N1 C4 S1 179.4(3) . . . . ?
Ag1 N1 C4 S1 -4.0(4) 1_545 . . . ?
C5 S1 C4 N2 -1.2(4) . . . . ?
C5 S1 C4 N1 177.2(3) . . . . ?
C4 S1 C5 S2 129.9(2) . . . . ?
C6 S2 C5 S1 61.9(2) . . . . ?
C7 N3 C6 N4 2.6(6) . . . . ?
C7 N3 C6 S2 -172.3(3) . . . . ?
C9 N4 C6 N3 -3.0(6) . . . . ?
Ag1 N4 C6 N3 172.8(3) . . . . ?
C9 N4 C6 S2 172.1(3) . . . . ?
Ag1 N4 C6 S2 -12.1(4) . . . . ?
C5 S2 C6 N3 -6.5(4) . . . . ?
C5 S2 C6 N4 177.9(3) . . . . ?
C6 N3 C7 C8 0.0(6) . . . . ?
N3 C7 C8 C9 -1.9(6) . . . . ?
C6 N4 C9 C8 0.7(6) . . . . ?
Ag1 N4 C9 C8 -174.9(3) . . . . ?
C7 C8 C9 N4 1.5(6) . . . . ?
O3 N5 O1 Ag1 -174.7(3) . . . . ?
O2 N5 O1 Ag1 2.6(5) . . . . ?
N1 Ag1 O1 N5 133.7(3) 1_565 . . . ?
N4 Ag1 O1 N5 -88.5(3) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.285
_refine_diff_density_min         -0.472
_refine_diff_density_rms         0.058

#===END

data_2
_database_code_CSD               200124

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20 H20 Ag2 N10 O6 S4'
_chemical_formula_weight         840.44

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           Monoclinic
_symmetry_space_group_name_H-M   C2/c

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

_cell_length_a                   24.747(13)
_cell_length_b                   8.267(4)
_cell_length_c                   16.055(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 123.818(8)
_cell_angle_gamma                90.00
_cell_volume                     2729(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    273(2)
_cell_measurement_reflns_used    752
_cell_measurement_theta_min      2.78
_cell_measurement_theta_max      24.95

_exptl_crystal_description       noodle
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      0
_exptl_crystal_density_diffrn    2.046
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1664
_exptl_absorpt_coefficient_mu    1.800
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.6617
_exptl_absorpt_correction_T_max  0.8405
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
? 
;

_diffrn_ambient_temperature      273(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            5227
_diffrn_reflns_av_R_equivalents  0.0396
_diffrn_reflns_av_sigmaI/netI    0.0544
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.55
_diffrn_reflns_theta_max         25.03
_reflns_number_total             2304
_reflns_number_gt                1701
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and 
goodness of fit S are based on F^2^, conventional R-factors R are based 
on F, with F set to zero for negative F^2^. The threshold expression of 
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is 
not relevant to the choice of reflections for refinement.  R-factors based 
on F^2^ 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/[\s^2^(Fo^2^)+(0.0449P)^2^+3.0874P] where P=(Fo^2^+2Fc^2^)/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         2304
_refine_ls_number_parameters     190
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0634
_refine_ls_R_factor_gt           0.0399
_refine_ls_wR_factor_ref         0.0992
_refine_ls_wR_factor_gt          0.0901
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_restrained_S_all      1.026
_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 0.23370(2) 0.80033(5) 0.35125(3) 0.05314(19) Uani 1 1 d . . .
S1 S 0.21352(6) 0.53212(17) 0.23267(9) 0.0408(3) Uani 1 1 d . . .
S2 S 0.18425(6) 0.56349(16) 0.41767(9) 0.0394(3) Uani 1 1 d . . .
O1 O 0.1198(2) 0.9031(6) 0.2010(3) 0.0737(13) Uani 1 1 d . . .
O2 O 0.1629(2) 1.0019(6) 0.3447(4) 0.0781(14) Uani 1 1 d . . .
O3 O 0.0720(2) 1.0929(5) 0.2242(4) 0.0911(17) Uani 1 1 d . . .
N1 N 0.1796(2) 0.7224(5) 0.0844(4) 0.0473(11) Uani 1 1 d . . .
N2 N 0.0931(2) 0.5691(5) 0.0692(3) 0.0431(11) Uani 1 1 d . . .
N3 N 0.1599(2) 0.7457(5) 0.5248(3) 0.0351(9) Uani 1 1 d . . .
N4 N 0.0697(2) 0.6848(5) 0.3614(3) 0.0476(11) Uani 1 1 d . . .
N5 N 0.1169(2) 1.0001(5) 0.2558(4) 0.0475(11) Uani 1 1 d . . .
C1 C 0.1373(4) 0.7840(7) -0.0064(5) 0.0576(17) Uani 1 1 d . . .
H1A H 0.1522 0.8575 -0.0330 0.069 Uiso 1 1 calc R . .
C2 C 0.0740(4) 0.7438(8) -0.0608(5) 0.0626(18) Uani 1 1 d . . .
H2 H 0.0452 0.7870 -0.1243 0.075 Uiso 1 1 calc R . .
C3 C 0.0538(3) 0.6366(7) -0.0188(4) 0.0516(15) Uani 1 1 d . . .
H3 H 0.0099 0.6101 -0.0543 0.062 Uiso 1 1 calc R . .
C4 C 0.1540(3) 0.6162(6) 0.1155(4) 0.0374(12) Uani 1 1 d . . .
C5 C 0.1673(3) 0.4009(6) 0.2586(4) 0.0412(12) Uani 1 1 d . . .
H5A H 0.1374 0.3396 0.1984 0.049 Uiso 1 1 calc R . .
H5B H 0.1968 0.3243 0.3098 0.049 Uiso 1 1 calc R . .
C6 C 0.1286(3) 0.4834(6) 0.2932(4) 0.0428(12) Uani 1 1 d . . .
H6A H 0.0993 0.4066 0.2939 0.051 Uiso 1 1 calc R . .
H6B H 0.1029 0.5704 0.2475 0.051 Uiso 1 1 calc R . .
C7 C 0.1316(2) 0.6761(5) 0.4348(3) 0.0345(11) Uani 1 1 d . . .
C8 C 0.1213(3) 0.8326(6) 0.5398(4) 0.0420(13) Uani 1 1 d . . .
H8 H 0.1389 0.8851 0.6009 0.050 Uiso 1 1 calc R . .
C9 C 0.0569(3) 0.8479(7) 0.4692(5) 0.0536(15) Uani 1 1 d . . .
H9 H 0.0304 0.9091 0.4813 0.064 Uiso 1 1 calc R . .
C10 C 0.0321(3) 0.7716(7) 0.3805(5) 0.0561(15) Uani 1 1 d . . .
H10 H -0.0122 0.7797 0.3316 0.067 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ag1 0.0355(3) 0.0624(3) 0.0471(3) -0.0076(2) 0.0140(2) 0.0001(2)
S1 0.0359(7) 0.0531(8) 0.0319(6) -0.0056(6) 0.0180(6) 0.0000(6)
S2 0.0359(7) 0.0491(8) 0.0319(6) -0.0025(6) 0.0180(6) 0.0010(6)
O1 0.083(3) 0.078(3) 0.069(3) -0.020(3) 0.047(3) -0.002(3)
O2 0.073(3) 0.085(3) 0.063(3) -0.011(3) 0.030(3) 0.016(3)
O3 0.050(3) 0.053(3) 0.137(5) 0.000(3) 0.032(3) 0.019(2)
N1 0.056(3) 0.045(3) 0.051(3) -0.008(2) 0.036(3) -0.007(2)
N2 0.035(2) 0.049(3) 0.035(2) -0.006(2) 0.013(2) 0.002(2)
N3 0.038(2) 0.035(2) 0.034(2) 0.0033(18) 0.021(2) -0.0003(19)
N4 0.037(3) 0.058(3) 0.036(2) -0.006(2) 0.013(2) 0.002(2)
N5 0.041(3) 0.041(3) 0.056(3) -0.002(2) 0.024(3) -0.006(2)
C1 0.086(5) 0.044(3) 0.053(4) 0.004(3) 0.045(4) 0.007(3)
C2 0.075(5) 0.057(4) 0.044(3) 0.011(3) 0.025(4) 0.029(4)
C3 0.039(3) 0.053(3) 0.049(3) -0.010(3) 0.015(3) 0.007(3)
C4 0.045(3) 0.039(3) 0.032(3) -0.009(2) 0.023(2) 0.004(3)
C5 0.052(3) 0.035(3) 0.034(3) 0.001(2) 0.023(3) 0.003(3)
C6 0.042(3) 0.049(3) 0.037(3) -0.009(2) 0.022(3) -0.009(3)
C7 0.035(3) 0.033(3) 0.031(3) 0.003(2) 0.016(2) -0.003(2)
C8 0.054(3) 0.037(3) 0.041(3) -0.002(2) 0.030(3) 0.000(3)
C9 0.056(4) 0.048(3) 0.067(4) 0.004(3) 0.041(3) 0.014(3)
C10 0.038(3) 0.069(4) 0.054(4) -0.007(3) 0.021(3) 0.006(3)

_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 2.282(4) 7_566 ?
Ag1 O2 2.378(5) . ?
Ag1 S1 2.7807(17) . ?
Ag1 S2 2.8142(17) . ?
S1 C4 1.763(5) . ?
S1 C5 1.786(5) . ?
S2 C7 1.743(5) . ?
S2 C6 1.807(5) . ?
O1 N5 1.221(6) . ?
O2 N5 1.234(6) . ?
O3 N5 1.206(6) . ?
N1 C4 1.332(7) . ?
N1 C1 1.335(8) . ?
N2 C4 1.314(6) . ?
N2 C3 1.313(7) . ?
N3 C8 1.320(7) . ?
N3 C7 1.336(6) . ?
N3 Ag1 2.282(4) 7_566 ?
N4 C7 1.317(7) . ?
N4 C10 1.339(7) . ?
C1 C2 1.343(10) . ?
C1 H1A 0.9300 . ?
C2 C3 1.366(9) . ?
C2 H2 0.9300 . ?
C3 H3 0.9300 . ?
C5 C6 1.510(7) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C8 C9 1.352(8) . ?
C8 H8 0.9300 . ?
C9 C10 1.352(8) . ?
C9 H9 0.9300 . ?
C10 H10 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 O2 128.32(16) 7_566 . ?
N3 Ag1 S1 98.31(11) 7_566 . ?
O2 Ag1 S1 132.95(12) . . ?
N3 Ag1 S2 95.03(11) 7_566 . ?
O2 Ag1 S2 92.24(14) . . ?
S1 Ag1 S2 75.79(5) . . ?
C4 S1 C5 103.0(3) . . ?
C4 S1 Ag1 98.13(16) . . ?
C5 S1 Ag1 102.64(17) . . ?
C7 S2 C6 101.2(2) . . ?
C7 S2 Ag1 102.07(16) . . ?
C6 S2 Ag1 93.44(18) . . ?
N5 O2 Ag1 103.0(4) . . ?
C4 N1 C1 114.4(5) . . ?
C4 N2 C3 114.4(5) . . ?
C8 N3 C7 115.8(5) . . ?
C8 N3 Ag1 122.2(3) . 7_566 ?
C7 N3 Ag1 121.8(3) . 7_566 ?
C7 N4 C10 115.8(5) . . ?
O3 N5 O1 121.6(6) . . ?
O3 N5 O2 121.3(5) . . ?
O1 N5 O2 117.1(5) . . ?
N1 C1 C2 122.5(6) . . ?
N1 C1 H1A 118.7 . . ?
C2 C1 H1A 118.7 . . ?
C1 C2 C3 117.0(6) . . ?
C1 C2 H2 121.5 . . ?
C3 C2 H2 121.5 . . ?
N2 C3 C2 123.4(6) . . ?
N2 C3 H3 118.3 . . ?
C2 C3 H3 118.3 . . ?
N2 C4 N1 128.2(5) . . ?
N2 C4 S1 120.1(4) . . ?
N1 C4 S1 111.7(4) . . ?
C6 C5 S1 115.5(4) . . ?
C6 C5 H5A 108.4 . . ?
S1 C5 H5A 108.4 . . ?
C6 C5 H5B 108.4 . . ?
S1 C5 H5B 108.4 . . ?
H5A C5 H5B 107.5 . . ?
C5 C6 S2 108.9(4) . . ?
C5 C6 H6A 109.9 . . ?
S2 C6 H6A 109.9 . . ?
C5 C6 H6B 109.9 . . ?
S2 C6 H6B 109.9 . . ?
H6A C6 H6B 108.3 . . ?
N4 C7 N3 126.3(5) . . ?
N4 C7 S2 119.2(4) . . ?
N3 C7 S2 114.4(4) . . ?
N3 C8 C9 122.2(5) . . ?
N3 C8 H8 118.9 . . ?
C9 C8 H8 118.9 . . ?
C8 C9 C10 118.1(5) . . ?
C8 C9 H9 120.9 . . ?
C10 C9 H9 120.9 . . ?
N4 C10 C9 121.7(5) . . ?
N4 C10 H10 119.1 . . ?
C9 C10 H10 119.1 . . ?

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 S1 C4 -150.1(2) 7_566 . . . ?
O2 Ag1 S1 C4 37.2(3) . . . . ?
S2 Ag1 S1 C4 116.75(19) . . . . ?
N3 Ag1 S1 C5 104.5(2) 7_566 . . . ?
O2 Ag1 S1 C5 -68.2(3) . . . . ?
S2 Ag1 S1 C5 11.40(18) . . . . ?
N3 Ag1 S2 C7 123.26(19) 7_566 . . . ?
O2 Ag1 S2 C7 -5.5(2) . . . . ?
S1 Ag1 S2 C7 -139.43(17) . . . . ?
N3 Ag1 S2 C6 -134.5(2) 7_566 . . . ?
O2 Ag1 S2 C6 96.7(2) . . . . ?
S1 Ag1 S2 C6 -37.23(18) . . . . ?
N3 Ag1 O2 N5 165.6(3) 7_566 . . . ?
S1 Ag1 O2 N5 -23.6(5) . . . . ?
S2 Ag1 O2 N5 -96.2(4) . . . . ?
Ag1 O2 N5 O3 -177.4(5) . . . . ?
Ag1 O2 N5 O1 0.7(6) . . . . ?
C4 N1 C1 C2 1.1(8) . . . . ?
N1 C1 C2 C3 0.6(9) . . . . ?
C4 N2 C3 C2 1.6(8) . . . . ?
C1 C2 C3 N2 -2.1(9) . . . . ?
C3 N2 C4 N1 0.4(8) . . . . ?
C3 N2 C4 S1 -178.0(4) . . . . ?
C1 N1 C4 N2 -1.7(7) . . . . ?
C1 N1 C4 S1 176.7(4) . . . . ?
C5 S1 C4 N2 -3.0(4) . . . . ?
Ag1 S1 C4 N2 -108.0(4) . . . . ?
C5 S1 C4 N1 178.4(3) . . . . ?
Ag1 S1 C4 N1 73.4(3) . . . . ?
C4 S1 C5 C6 -76.4(4) . . . . ?
Ag1 S1 C5 C6 25.2(4) . . . . ?
S1 C5 C6 S2 -69.7(4) . . . . ?
C7 S2 C6 C5 171.8(4) . . . . ?
Ag1 S2 C6 C5 68.8(3) . . . . ?
C10 N4 C7 N3 -0.4(8) . . . . ?
C10 N4 C7 S2 179.2(4) . . . . ?
C8 N3 C7 N4 -0.8(7) . . . . ?
Ag1 N3 C7 N4 174.4(4) 7_566 . . . ?
C8 N3 C7 S2 179.6(4) . . . . ?
Ag1 N3 C7 S2 -5.2(5) 7_566 . . . ?
C6 S2 C7 N4 -2.3(5) . . . . ?
Ag1 S2 C7 N4 93.8(4) . . . . ?
C6 S2 C7 N3 177.4(4) . . . . ?
Ag1 S2 C7 N3 -86.6(3) . . . . ?
C7 N3 C8 C9 1.2(7) . . . . ?
Ag1 N3 C8 C9 -173.9(4) 7_566 . . . ?
N3 C8 C9 C10 -0.4(9) . . . . ?
C7 N4 C10 C9 1.3(9) . . . . ?
C8 C9 C10 N4 -0.9(9) . . . . ?

_diffrn_measured_fraction_theta_max 0.954
_diffrn_reflns_theta_full        25.03
_diffrn_measured_fraction_theta_full 0.954
_refine_diff_density_max         0.907
_refine_diff_density_min         -0.443
_refine_diff_density_rms         0.090

#===END 

data_3
_database_code_CSD               200125

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C7 H10 Ag N5 O4 S4'
_chemical_formula_weight         464.31

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'
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           Monoclinic
_symmetry_space_group_name_H-M   C2/c

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

_cell_length_a                   13.831(5)
_cell_length_b                   18.293(6)
_cell_length_c                   8.351(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 122.308(5)
_cell_angle_gamma                90.00
_cell_volume                     1785.9(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       noodle
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.727
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             920
_exptl_absorpt_coefficient_mu    1.613
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.6432
_exptl_absorpt_correction_T_max  0.7939
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
? 
;

_diffrn_ambient_temperature      293(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            3521
_diffrn_reflns_av_R_equivalents  0.0365
_diffrn_reflns_av_sigmaI/netI    0.0507
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_theta_min         4.90
_diffrn_reflns_theta_max         25.03
_reflns_number_total             1528
_reflns_number_gt                1101
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and 
goodness of fit S are based on F^2^, conventional R-factors R are based 
on F, with F set to zero for negative F^2^. The threshold expression of 
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is 
not relevant to the choice of reflections for refinement.  R-factors based 
on F^2^ 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/[\s^2^(Fo^2^)+(0.0500P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/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         1528
_refine_ls_number_parameters     102
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0608
_refine_ls_R_factor_gt           0.0388
_refine_ls_wR_factor_ref         0.0941
_refine_ls_wR_factor_gt          0.0864
_refine_ls_goodness_of_fit_ref   0.983
_refine_ls_restrained_S_all      0.989
_refine_ls_shift/su_max          0.096
_refine_ls_shift/su_mean         0.009

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 1.0000 0.48154(3) 0.2500 0.0469(2) Uani 1 2 d S . .
S1 S 0.77662(15) 0.68256(9) 0.2410(2) 0.0673(5) Uani 1 1 d . . .
S2 S 0.87160(16) 0.68280(9) 0.6642(2) 0.0742(5) Uani 1 1 d . . .
N1 N 0.8826(4) 0.5642(2) 0.2887(6) 0.0436(10) Uani 1 1 d . . .
N2 N 0.9056(3) 0.5833(2) 0.4646(5) 0.0420(10) Uani 1 1 d . . .
C1 C 0.7785(6) 0.6021(4) -0.0449(8) 0.0760(18) Uani 1 1 d . . .
H1A H 0.8105 0.5582 -0.0606 0.114 Uiso 1 1 calc R . .
H1B H 0.8038 0.6434 -0.0840 0.114 Uiso 1 1 calc R . .
H1C H 0.6965 0.5994 -0.1209 0.114 Uiso 1 1 calc R . .
C2 C 0.8165(5) 0.6106(3) 0.1572(7) 0.0490(13) Uani 1 1 d . . .
C3 C 0.8568(5) 0.6453(3) 0.4606(7) 0.0497(13) Uani 1 1 d . . .
C4 C 1.0000 0.7353(4) 0.7500 0.088(3) Uani 1 2 d S . .
H4A H 1.0102 0.7667 0.8516 0.105 Uiso 0.50 1 calc PR . .
H4B H 0.9898 0.7667 0.6484 0.105 Uiso 0.50 1 calc PR . .
N3 N 1.0000 0.7771(6) 0.2500 0.106(3) Uani 1 2 d SD . .
O1 O 0.9531(7) 0.7414(7) 0.1032(9) 0.180(4) Uani 1 1 d D . .
O2 O 1.0000 0.8435(8) 0.2500 0.37(2) Uani 1 2 d SD . .
O3 O 0.6134(15) 0.5727(8) 0.386(4) 0.197(8) Uani 0.50 1 d P . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ag1 0.0661(4) 0.0349(3) 0.0380(3) 0.000 0.0268(3) 0.000
S1 0.0924(12) 0.0660(9) 0.0472(8) 0.0194(7) 0.0397(8) 0.0438(8)
S2 0.1062(14) 0.0813(11) 0.0486(9) 0.0144(7) 0.0503(10) 0.0457(10)
N1 0.053(3) 0.042(2) 0.040(2) 0.0046(18) 0.027(2) 0.008(2)
N2 0.052(3) 0.040(2) 0.038(2) 0.0085(18) 0.027(2) 0.0097(19)
C1 0.096(5) 0.085(4) 0.044(3) 0.010(3) 0.035(3) 0.022(4)
C2 0.057(3) 0.053(3) 0.041(3) 0.009(2) 0.029(3) 0.013(3)
C3 0.062(4) 0.050(3) 0.045(3) 0.011(2) 0.034(3) 0.015(3)
C4 0.168(11) 0.037(4) 0.065(6) 0.000 0.067(7) 0.000
N3 0.054(6) 0.103(8) 0.128(10) 0.000 0.027(7) 0.000
O1 0.128(6) 0.317(11) 0.064(4) 0.004(6) 0.031(4) 0.004(7)
O2 0.177(16) 0.130(12) 0.54(4) 0.000 0.014(19) 0.000
O3 0.151(14) 0.103(10) 0.32(2) -0.012(12) 0.116(15) 0.009(9)

_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 N2 2.338(4) 6_565 ?
Ag1 N2 2.338(4) 5_766 ?
Ag1 N1 2.364(4) 2_755 ?
Ag1 N1 2.364(4) . ?
S1 C3 1.698(5) . ?
S1 C2 1.715(5) . ?
S2 C3 1.740(5) . ?
S2 C4 1.797(5) . ?
N1 C2 1.299(6) . ?
N1 N2 1.371(5) . ?
N2 C3 1.312(6) . ?
N2 Ag1 2.338(4) 5_766 ?
C1 C2 1.483(8) . ?
C4 S2 1.797(5) 2_756 ?
N3 O2 1.215(9) . ?
N3 O1 1.224(8) . ?
N3 O1 1.224(8) 2_755 ?

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
N2 Ag1 N2 119.0(2) 6_565 5_766 ?
N2 Ag1 N1 103.61(13) 6_565 2_755 ?
N2 Ag1 N1 114.46(14) 5_766 2_755 ?
N2 Ag1 N1 114.46(14) 6_565 . ?
N2 Ag1 N1 103.61(13) 5_766 . ?
N1 Ag1 N1 100.4(2) 2_755 . ?
C3 S1 C2 88.1(2) . . ?
C3 S2 C4 100.1(2) . . ?
C2 N1 N2 113.3(4) . . ?
C2 N1 Ag1 121.8(3) . . ?
N2 N1 Ag1 121.7(3) . . ?
C3 N2 N1 111.8(4) . . ?
C3 N2 Ag1 117.6(3) . 5_766 ?
N1 N2 Ag1 130.3(3) . 5_766 ?
N1 C2 C1 123.8(5) . . ?
N1 C2 S1 113.0(4) . . ?
C1 C2 S1 123.3(4) . . ?
N2 C3 S1 113.8(4) . . ?
N2 C3 S2 121.7(4) . . ?
S1 C3 S2 124.4(3) . . ?
S2 C4 S2 115.4(4) . 2_756 ?
O2 N3 O1 122.2(6) . . ?
O2 N3 O1 122.2(6) . 2_755 ?
O1 N3 O1 115.7(12) . 2_755 ?

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
N2 Ag1 N1 C2 -49.2(4) 6_565 . . . ?
N2 Ag1 N1 C2 179.6(4) 5_766 . . . ?
N1 Ag1 N1 C2 61.1(4) 2_755 . . . ?
N2 Ag1 N1 N2 152.5(3) 6_565 . . . ?
N2 Ag1 N1 N2 21.3(4) 5_766 . . . ?
N1 Ag1 N1 N2 -97.2(3) 2_755 . . . ?
C2 N1 N2 C3 -1.2(6) . . . . ?
Ag1 N1 N2 C3 158.9(3) . . . . ?
C2 N1 N2 Ag1 172.4(4) . . . 5_766 ?
Ag1 N1 N2 Ag1 -27.6(5) . . . 5_766 ?
N2 N1 C2 C1 -179.6(5) . . . . ?
Ag1 N1 C2 C1 20.4(8) . . . . ?
N2 N1 C2 S1 0.0(6) . . . . ?
Ag1 N1 C2 S1 -160.1(2) . . . . ?
C3 S1 C2 N1 0.9(4) . . . . ?
C3 S1 C2 C1 -179.6(5) . . . . ?
N1 N2 C3 S1 1.8(5) . . . . ?
Ag1 N2 C3 S1 -172.6(2) 5_766 . . . ?
N1 N2 C3 S2 -179.9(4) . . . . ?
Ag1 N2 C3 S2 5.6(6) 5_766 . . . ?
C2 S1 C3 N2 -1.6(4) . . . . ?
C2 S1 C3 S2 -179.7(4) . . . . ?
C4 S2 C3 N2 88.2(5) . . . . ?
C4 S2 C3 S1 -93.8(4) . . . . ?
C3 S2 C4 S2 -68.85(18) . . . 2_756 ?

_diffrn_measured_fraction_theta_max 0.968
_diffrn_reflns_theta_full        25.03
_diffrn_measured_fraction_theta_full 0.968
_refine_diff_density_max         0.555
_refine_diff_density_min         -0.441
_refine_diff_density_rms         0.095

#===END

data_4
_database_code_CSD               200126

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C8 H10 Ag2 N6 O6 S4'
_chemical_formula_weight         630.20

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           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

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

_cell_length_a                   13.641(6)
_cell_length_b                   8.579(4)
_cell_length_c                   16.480(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 107.818(8)
_cell_angle_gamma                90.00
_cell_volume                     1836.2(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.280
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1224
_exptl_absorpt_coefficient_mu    2.627
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.5062
_exptl_absorpt_correction_T_max  0.6216
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
? 
;

_diffrn_ambient_temperature      293(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            7304
_diffrn_reflns_av_R_equivalents  0.0963
_diffrn_reflns_av_sigmaI/netI    0.1579
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.57
_diffrn_reflns_theta_max         25.02
_reflns_number_total             3244
_reflns_number_gt                1364
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and 
goodness of fit S are based on F^2^, conventional R-factors R are based 
on F, with F set to zero for negative F^2^. The threshold expression of 
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is 
not relevant to the choice of reflections for refinement.  R-factors based 
on F^2^ 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/[\s^2^(Fo^2^)+(0.0188P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/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         3244
_refine_ls_number_parameters     235
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1521
_refine_ls_R_factor_gt           0.0471
_refine_ls_wR_factor_ref         0.0923
_refine_ls_wR_factor_gt          0.0739
_refine_ls_goodness_of_fit_ref   0.906
_refine_ls_restrained_S_all      0.906
_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 0.87671(6) 1.02680(10) 0.01418(6) 0.0617(3) Uani 1 1 d . . .
Ag2 Ag 0.38928(6) 1.03125(10) -0.04755(5) 0.0493(3) Uani 1 1 d . . .
O1 O 0.3025(6) 0.9065(9) -0.1867(5) 0.065(2) Uani 1 1 d . . .
O2 O 0.3516(8) 0.7148(9) -0.2512(6) 0.105(4) Uani 1 1 d . . .
O3 O 0.4555(7) 0.8153(11) -0.1393(5) 0.095(3) Uani 1 1 d . . .
O4 O 0.7822(6) 0.8177(11) 0.0593(5) 0.091(3) Uani 1 1 d . . .
O5 O 0.9269(7) 0.7152(10) 0.0813(6) 0.103(4) Uani 1 1 d . . .
O6 O 0.7998(8) 0.5757(12) 0.0845(6) 0.111(4) Uani 1 1 d . . .
C1 C 0.9264(9) 1.2750(13) 0.2030(7) 0.080(4) Uani 1 1 d . . .
H1A H 0.8646 1.2295 0.1659 0.120 Uiso 1 1 calc R . .
H1B H 0.9210 1.3865 0.1999 0.120 Uiso 1 1 calc R . .
H1C H 0.9356 1.2417 0.2605 0.120 Uiso 1 1 calc R . .
C2 C 1.0168(7) 1.2237(12) 0.1761(6) 0.039(3) Uani 1 1 d . . .
C3 C 1.1842(7) 1.1781(11) 0.1631(6) 0.034(3) Uani 1 1 d . . .
C4 C 1.3815(7) 1.2396(11) 0.2654(6) 0.034(3) Uani 1 1 d . . .
H4A H 1.4513 1.2640 0.2665 0.041 Uiso 1 1 calc R . .
H4B H 1.3497 1.3353 0.2761 0.041 Uiso 1 1 calc R . .
C5 C 1.3852(7) 1.1232(10) 0.3366(5) 0.039(3) Uani 1 1 d . . .
H5A H 1.4200 1.0294 0.3272 0.047 Uiso 1 1 calc R . .
H5B H 1.3154 1.0949 0.3336 0.047 Uiso 1 1 calc R . .
C6 C 0.5793(7) 1.2936(10) -0.0601(5) 0.026(2) Uani 1 1 d . . .
C7 C 0.7503(7) 1.3392(12) -0.0665(6) 0.036(3) Uani 1 1 d . . .
C8 C 0.8484(7) 1.3885(11) -0.0808(7) 0.055(3) Uani 1 1 d . . .
H8A H 0.9000 1.3102 -0.0589 0.082 Uiso 1 1 calc R . .
H8B H 0.8709 1.4853 -0.0519 0.082 Uiso 1 1 calc R . .
H8C H 0.8376 1.4017 -0.1407 0.082 Uiso 1 1 calc R . .
N1 N 1.1102(6) 1.1024(9) 0.1066(5) 0.038(2) Uani 1 1 d . . .
N2 N 1.0152(6) 1.1288(10) 0.1163(6) 0.047(3) Uani 1 1 d . . .
N3 N 0.6411(6) 1.1760(8) -0.0280(5) 0.033(2) Uani 1 1 d . . .
N4 N 0.7393(5) 1.2023(9) -0.0318(5) 0.035(2) Uani 1 1 d . . .
N5 N 0.3677(9) 0.8118(12) -0.1926(7) 0.057(3) Uani 1 1 d . . .
N6 N 0.8371(8) 0.7045(12) 0.0720(6) 0.051(3) Uani 1 1 d . . .
S3 S 0.45096(17) 1.3026(3) -0.05684(15) 0.0325(7) Uani 1 1 d . . .
S5 S 0.63731(19) 1.4443(3) -0.09467(17) 0.0442(8) Uani 1 1 d . . .
S6 S 1.3107(2) 1.1682(3) 0.16018(16) 0.0461(8) Uani 1 1 d . . .
S7 S 1.1393(2) 1.2888(3) 0.23206(18) 0.0498(9) Uani 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ag1 0.0376(5) 0.0585(6) 0.0732(6) -0.0226(6) -0.0066(4) 0.0071(5)
Ag2 0.0430(6) 0.0447(6) 0.0539(6) 0.0137(5) 0.0055(4) -0.0040(4)
O1 0.059(6) 0.054(6) 0.072(6) 0.001(5) 0.007(5) 0.006(4)
O2 0.199(12) 0.039(7) 0.064(7) -0.006(5) 0.020(7) 0.012(6)
O3 0.067(7) 0.157(9) 0.052(6) -0.007(6) 0.004(5) 0.044(6)
O4 0.056(6) 0.135(9) 0.092(7) 0.040(6) 0.038(5) 0.054(6)
O5 0.034(6) 0.143(9) 0.142(9) 0.039(7) 0.043(6) 0.021(5)
O6 0.153(10) 0.098(8) 0.118(8) -0.036(7) 0.095(7) -0.042(7)
C1 0.050(9) 0.104(11) 0.082(10) -0.024(8) 0.015(8) -0.009(7)
C2 0.022(6) 0.056(8) 0.032(7) -0.007(6) -0.002(5) -0.005(5)
C3 0.025(6) 0.044(7) 0.031(6) 0.001(5) 0.004(5) -0.006(5)
C4 0.032(6) 0.034(6) 0.028(6) -0.013(5) -0.004(5) -0.005(5)
C5 0.047(7) 0.030(7) 0.039(7) -0.007(5) 0.011(6) -0.004(5)
C6 0.027(6) 0.032(7) 0.017(5) -0.001(5) 0.006(5) -0.006(5)
C7 0.037(7) 0.034(7) 0.044(7) 0.001(6) 0.019(5) 0.001(5)
C8 0.035(7) 0.059(8) 0.073(9) 0.005(7) 0.020(6) -0.015(6)
N1 0.018(5) 0.045(6) 0.042(6) -0.003(4) -0.006(4) -0.003(4)
N2 0.021(6) 0.047(7) 0.059(7) -0.012(5) -0.010(5) -0.007(4)
N3 0.026(5) 0.032(5) 0.036(5) -0.003(4) 0.000(4) 0.006(4)
N4 0.013(5) 0.050(6) 0.043(6) 0.000(5) 0.008(4) 0.005(4)
N5 0.079(9) 0.041(8) 0.052(7) 0.020(6) 0.024(7) 0.015(6)
N6 0.040(7) 0.055(8) 0.061(7) 0.005(6) 0.020(6) 0.007(6)
S3 0.0235(15) 0.0367(17) 0.0337(16) 0.0027(13) 0.0032(12) 0.0059(11)
S5 0.0366(17) 0.0390(19) 0.0571(19) 0.0122(15) 0.0145(14) 0.0013(13)
S6 0.0374(18) 0.061(2) 0.0363(18) -0.0136(15) 0.0059(14) -0.0106(14)
S7 0.0402(19) 0.066(2) 0.0395(17) -0.0154(17) 0.0064(14) -0.0082(15)

_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 N2 2.285(7) . ?
Ag1 N1 2.332(8) 3_775 ?
Ag1 N4 2.343(7) . ?
Ag1 O4 2.454(9) . ?
Ag2 N3 2.281(8) 3_675 ?
Ag2 O1 2.478(7) . ?
Ag2 S3 2.496(3) . ?
Ag2 Ag2 2.9953(19) 3_675 ?
O1 N5 1.230(11) . ?
O2 N5 1.241(11) . ?
O3 N5 1.251(11) . ?
O4 N6 1.205(10) . ?
O5 N6 1.191(11) . ?
O6 N6 1.259(11) . ?
C1 C2 1.499(14) . ?
C2 N2 1.273(11) . ?
C2 S7 1.736(9) . ?
C3 N1 1.316(10) . ?
C3 S7 1.730(10) . ?
C3 S6 1.744(10) . ?
C4 C5 1.530(11) . ?
C4 S6 1.813(9) . ?
C5 S3 1.825(8) 4_686 ?
C6 N3 1.317(10) . ?
C6 S5 1.702(9) . ?
C6 S3 1.770(9) . ?
C7 N4 1.335(11) . ?
C7 C8 1.489(12) . ?
C7 S5 1.722(9) . ?
N1 N2 1.373(10) . ?
N1 Ag1 2.332(8) 3_775 ?
N3 N4 1.378(10) . ?
N3 Ag2 2.281(8) 3_675 ?
S3 C5 1.825(8) 4_485 ?

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
N2 Ag1 N1 123.3(3) . 3_775 ?
N2 Ag1 N4 113.0(3) . . ?
N1 Ag1 N4 107.0(3) 3_775 . ?
N2 Ag1 O4 116.7(3) . . ?
N1 Ag1 O4 95.5(3) 3_775 . ?
N4 Ag1 O4 97.2(3) . . ?
N3 Ag2 O1 93.1(3) 3_675 . ?
N3 Ag2 S3 151.86(19) 3_675 . ?
O1 Ag2 S3 114.86(19) . . ?
N3 Ag2 Ag2 84.1(2) 3_675 3_675 ?
O1 Ag2 Ag2 121.77(19) . 3_675 ?
S3 Ag2 Ag2 83.92(6) . 3_675 ?
N5 O1 Ag2 101.9(7) . . ?
N6 O4 Ag1 106.6(8) . . ?
N2 C2 C1 126.6(9) . . ?
N2 C2 S7 113.7(8) . . ?
C1 C2 S7 119.6(8) . . ?
N1 C3 S7 112.8(7) . . ?
N1 C3 S6 120.5(8) . . ?
S7 C3 S6 126.7(6) . . ?
C5 C4 S6 113.4(6) . . ?
C4 C5 S3 113.7(6) . 4_686 ?
N3 C6 S5 114.2(7) . . ?
N3 C6 S3 122.6(7) . . ?
S5 C6 S3 122.9(5) . . ?
N4 C7 C8 122.8(9) . . ?
N4 C7 S5 111.5(7) . . ?
C8 C7 S5 125.6(8) . . ?
C3 N1 N2 112.5(8) . . ?
C3 N1 Ag1 126.6(7) . 3_775 ?
N2 N1 Ag1 119.9(6) . 3_775 ?
C2 N2 N1 113.7(8) . . ?
C2 N2 Ag1 129.0(7) . . ?
N1 N2 Ag1 116.7(6) . . ?
C6 N3 N4 111.6(8) . . ?
C6 N3 Ag2 128.0(7) . 3_675 ?
N4 N3 Ag2 119.6(6) . 3_675 ?
C7 N4 N3 113.7(7) . . ?
C7 N4 Ag1 121.3(6) . . ?
N3 N4 Ag1 124.9(6) . . ?
O1 N5 O2 123.0(11) . . ?
O1 N5 O3 119.2(12) . . ?
O2 N5 O3 117.7(11) . . ?
O5 N6 O4 121.3(11) . . ?
O5 N6 O6 119.8(11) . . ?
O4 N6 O6 118.4(12) . . ?
C6 S3 C5 100.7(4) . 4_485 ?
C6 S3 Ag2 108.5(3) . . ?
C5 S3 Ag2 108.0(3) 4_485 . ?
C6 S5 C7 88.9(5) . . ?
C3 S6 C4 101.5(5) . . ?
C3 S7 C2 87.2(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 Ag2 O1 N5 -76.6(7) 3_675 . . . ?
S3 Ag2 O1 N5 107.0(7) . . . . ?
Ag2 Ag2 O1 N5 8.4(8) 3_675 . . . ?
N2 Ag1 O4 N6 -71.1(8) . . . . ?
N1 Ag1 O4 N6 60.6(8) 3_775 . . . ?
N4 Ag1 O4 N6 168.5(7) . . . . ?
S6 C4 C5 S3 -177.2(5) . . . 4_686 ?
S7 C3 N1 N2 -0.3(10) . . . . ?
S6 C3 N1 N2 -177.4(6) . . . . ?
S7 C3 N1 Ag1 168.5(4) . . . 3_775 ?
S6 C3 N1 Ag1 -8.6(11) . . . 3_775 ?
C1 C2 N2 N1 -179.4(9) . . . . ?
S7 C2 N2 N1 -2.2(12) . . . . ?
C1 C2 N2 Ag1 10.0(17) . . . . ?
S7 C2 N2 Ag1 -172.9(4) . . . . ?
C3 N1 N2 C2 1.6(12) . . . . ?
Ag1 N1 N2 C2 -168.0(7) 3_775 . . . ?
C3 N1 N2 Ag1 173.5(6) . . . . ?
Ag1 N1 N2 Ag1 3.9(8) 3_775 . . . ?
N1 Ag1 N2 C2 166.4(9) 3_775 . . . ?
N4 Ag1 N2 C2 35.2(11) . . . . ?
O4 Ag1 N2 C2 -76.3(10) . . . . ?
N1 Ag1 N2 N1 -4.0(9) 3_775 . . . ?
N4 Ag1 N2 N1 -135.2(6) . . . . ?
O4 Ag1 N2 N1 113.3(7) . . . . ?
S5 C6 N3 N4 -1.2(10) . . . . ?
S3 C6 N3 N4 -174.8(6) . . . . ?
S5 C6 N3 Ag2 168.1(4) . . . 3_675 ?
S3 C6 N3 Ag2 -5.5(11) . . . 3_675 ?
C8 C7 N4 N3 -177.0(8) . . . . ?
S5 C7 N4 N3 1.1(10) . . . . ?
C8 C7 N4 Ag1 1.7(13) . . . . ?
S5 C7 N4 Ag1 179.8(4) . . . . ?
C6 N3 N4 C7 0.1(11) . . . . ?
Ag2 N3 N4 C7 -170.3(6) 3_675 . . . ?
C6 N3 N4 Ag1 -178.6(5) . . . . ?
Ag2 N3 N4 Ag1 11.1(9) 3_675 . . . ?
N2 Ag1 N4 C7 59.3(8) . . . . ?
N1 Ag1 N4 C7 -79.6(7) 3_775 . . . ?
O4 Ag1 N4 C7 -177.6(7) . . . . ?
N2 Ag1 N4 N3 -122.1(7) . . . . ?
N1 Ag1 N4 N3 99.0(7) 3_775 . . . ?
O4 Ag1 N4 N3 1.0(7) . . . . ?
Ag2 O1 N5 O2 174.2(9) . . . . ?
Ag2 O1 N5 O3 -8.2(12) . . . . ?
Ag1 O4 N6 O5 17.3(13) . . . . ?
Ag1 O4 N6 O6 -170.3(8) . . . . ?
N3 C6 S3 C5 -138.4(7) . . . 4_485 ?
S5 C6 S3 C5 48.6(6) . . . 4_485 ?
N3 C6 S3 Ag2 -25.2(8) . . . . ?
S5 C6 S3 Ag2 161.8(4) . . . . ?
N3 Ag2 S3 C6 96.5(5) 3_675 . . . ?
O1 Ag2 S3 C6 -91.1(4) . . . . ?
Ag2 Ag2 S3 C6 31.2(3) 3_675 . . . ?
N3 Ag2 S3 C5 -155.2(5) 3_675 . . 4_485 ?
O1 Ag2 S3 C5 17.2(4) . . . 4_485 ?
Ag2 Ag2 S3 C5 139.4(3) 3_675 . . 4_485 ?
N3 C6 S5 C7 1.6(7) . . . . ?
S3 C6 S5 C7 175.1(6) . . . . ?
N4 C7 S5 C6 -1.5(7) . . . . ?
C8 C7 S5 C6 176.6(9) . . . . ?
N1 C3 S6 C4 -163.7(8) . . . . ?
S7 C3 S6 C4 19.6(7) . . . . ?
C5 C4 S6 C3 72.7(7) . . . . ?
N1 C3 S7 C2 -0.8(8) . . . . ?
S6 C3 S7 C2 176.1(7) . . . . ?
N2 C2 S7 C3 1.7(9) . . . . ?
C1 C2 S7 C3 179.1(9) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        25.02
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.565
_refine_diff_density_min         -0.600
_refine_diff_density_rms         0.139

#===END

data_5
_database_code_CSD               200127

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C16 H21 Ag2 Cl2 N8 O8 S6'
_chemical_formula_weight         932.41

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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           Triclinic
_symmetry_space_group_name_H-M   P-1

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

_cell_length_a                   8.233(19)
_cell_length_b                   13.30(3)
_cell_length_c                   15.49(3)
_cell_angle_alpha                78.25(4)
_cell_angle_beta                 83.02(4)
_cell_angle_gamma                84.41(4)
_cell_volume                     1644(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    699
_cell_measurement_theta_min      2.50
_cell_measurement_theta_max      22.62

_exptl_crystal_description       noodle
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      0
_exptl_crystal_density_diffrn    1.884
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             922
_exptl_absorpt_coefficient_mu    1.786
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.6637
_exptl_absorpt_correction_T_max  0.7165
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
? 
;

_diffrn_ambient_temperature      293(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            5574
_diffrn_reflns_av_R_equivalents  0.0778
_diffrn_reflns_av_sigmaI/netI    0.2152
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.50
_diffrn_reflns_theta_max         25.02
_reflns_number_total             5153
_reflns_number_gt                2371
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and 
goodness of fit S are based on F^2^, conventional R-factors R are based 
on F, with F set to zero for negative F^2^. The threshold expression of 
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is 
not relevant to the choice of reflections for refinement.  R-factors based 
on F^2^ 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/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/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         5153
_refine_ls_number_parameters     384
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.1849
_refine_ls_R_factor_gt           0.0888
_refine_ls_wR_factor_ref         0.2546
_refine_ls_wR_factor_gt          0.1985
_refine_ls_goodness_of_fit_ref   0.977
_refine_ls_restrained_S_all      0.977
_refine_ls_shift/su_max          0.010
_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 0.56464(16) 0.46814(10) 0.78186(8) 0.0480(4) Uani 1 1 d . . .
Ag2 Ag 0.42556(16) 0.23082(10) 0.87534(9) 0.0519(5) Uani 1 1 d . . .
S1 S 0.6705(5) 0.3713(4) 1.0801(3) 0.0487(11) Uani 1 1 d . . .
S2 S 0.7782(5) 0.5452(3) 0.9383(3) 0.0471(11) Uani 1 1 d . . .
S3 S 0.0121(5) 0.4488(4) 0.7419(3) 0.0536(12) Uani 1 1 d . . .
S4 S 0.2245(6) 0.6233(4) 0.6847(3) 0.0559(12) Uani 1 1 d . . .
S5 S 0.7517(5) 0.4544(3) 0.5722(3) 0.0495(11) Uani 1 1 d . . .
S6 S 0.7417(6) 0.2271(4) 0.6040(3) 0.0550(12) Uani 1 1 d . . .
N1 N 0.5513(15) 0.3097(10) 0.9639(9) 0.041(3) Uani 1 1 d . . .
N2 N 0.6244(15) 0.3932(10) 0.9225(8) 0.039(3) Uani 1 1 d . . .
N3 N 0.2388(14) 0.3520(9) 0.8208(8) 0.038(3) Uani 1 1 d . . .
N4 N 0.2932(14) 0.4434(10) 0.7821(7) 0.038(3) Uani 1 1 d . . .
N5 N 0.6178(15) 0.2380(10) 0.7540(8) 0.037(3) Uani 1 1 d . . .
N6 N 0.6465(15) 0.3353(10) 0.7142(8) 0.039(3) Uani 1 1 d . . .
N7 N 0.351(2) 0.0806(14) 0.9397(11) 0.075(5) Uani 1 1 d . . .
N8 N 0.6562(18) 0.6155(13) 0.7266(10) 0.059(4) Uani 1 1 d . . .
C1 C 0.497(2) 0.1950(15) 1.1080(12) 0.061(5) Uani 1 1 d . . .
H1A H 0.4134 0.2172 1.1506 0.091 Uiso 1 1 calc R . .
H1B H 0.5826 0.1539 1.1384 0.091 Uiso 1 1 calc R . .
H1C H 0.4498 0.1549 1.0738 0.091 Uiso 1 1 calc R . .
C2 C 0.5663(18) 0.2875(11) 1.0475(11) 0.041(4) Uani 1 1 d . . .
C3 C 0.6841(18) 0.4350(12) 0.9755(12) 0.046(4) Uani 1 1 d . . .
C4 C 0.9272(16) 0.5359(12) 1.0096(10) 0.033(3) Uani 1 1 d . . .
H4A H 0.9642 0.6039 1.0059 0.040 Uiso 1 1 calc R . .
H4B H 0.8789 0.5126 1.0698 0.040 Uiso 1 1 calc R . .
C5 C 0.006(2) 0.2541(14) 0.8334(13) 0.065(6) Uani 1 1 d . . .
H5A H 0.0373 0.2058 0.7949 0.097 Uiso 1 1 calc R . .
H5B H -0.1099 0.2718 0.8350 0.097 Uiso 1 1 calc R . .
H5C H 0.0335 0.2238 0.8920 0.097 Uiso 1 1 calc R . .
C6 C 0.0912(17) 0.3441(14) 0.8012(10) 0.044(4) Uani 1 1 d . . .
C7 C 0.1914(18) 0.5000(11) 0.7409(10) 0.034(3) Uani 1 1 d U . .
C8 C 0.302(2) 0.5968(13) 0.5794(10) 0.048(4) Uani 1 1 d . . .
H8A H 0.3571 0.6556 0.5450 0.058 Uiso 1 1 calc R . .
H8B H 0.3830 0.5383 0.5870 0.058 Uiso 1 1 calc R . .
C9 C 0.180(2) 0.5754(15) 0.5335(10) 0.052(5) Uani 1 1 d . . .
H9A H 0.1001 0.6346 0.5258 0.062 Uiso 1 1 calc R . .
H9B H 0.1235 0.5178 0.5692 0.062 Uiso 1 1 calc R . .
C10 C 0.7120(19) 0.3418(14) 0.6343(10) 0.048(4) Uani 1 1 d . . .
C11 C 0.656(2) 0.1767(12) 0.7052(11) 0.041(4) Uani 1 1 d . . .
C12 C 0.630(3) 0.0700(15) 0.7301(15) 0.087(8) Uani 1 1 d . . .
H12A H 0.6720 0.0426 0.7861 0.131 Uiso 1 1 calc R . .
H12B H 0.6868 0.0344 0.6859 0.131 Uiso 1 1 calc R . .
H12C H 0.5151 0.0610 0.7352 0.131 Uiso 1 1 calc R . .
C13 C 0.284(2) 0.0169(13) 0.9819(11) 0.046(4) Uani 1 1 d . . .
C14 C 0.201(2) -0.0595(14) 1.0432(13) 0.065(5) Uani 1 1 d . . .
H14A H 0.1414 -0.0295 1.0901 0.097 Uiso 1 1 calc R . .
H14B H 0.2792 -0.1129 1.0674 0.097 Uiso 1 1 calc R . .
H14C H 0.1259 -0.0882 1.0137 0.097 Uiso 1 1 calc R . .
C15 C 0.715(2) 0.6852(13) 0.6962(11) 0.049(5) Uani 1 1 d . . .
C16 C 0.800(3) 0.7764(17) 0.6557(14) 0.079(6) Uani 1 1 d . . .
H16A H 0.7914 0.8221 0.6969 0.119 Uiso 1 1 calc R . .
H16B H 0.7502 0.8105 0.6034 0.119 Uiso 1 1 calc R . .
H16C H 0.9130 0.7570 0.6400 0.119 Uiso 1 1 calc R . .
Cl1 Cl 0.7281(6) 0.7285(4) 0.4142(4) 0.0655(13) Uani 1 1 d . . .
O1 O 0.751(5) 0.793(2) 0.3439(18) 0.239(17) Uani 1 1 d . . .
O2 O 0.646(2) 0.6517(14) 0.3928(12) 0.109(6) Uani 1 1 d . . .
O3 O 0.628(2) 0.7787(19) 0.4703(15) 0.148(9) Uani 1 1 d . . .
O4 O 0.872(2) 0.692(2) 0.450(2) 0.181(11) Uani 1 1 d . . .
Cl2 Cl 0.0181(7) 0.1855(5) 0.1305(4) 0.0760(15) Uani 1 1 d . . .
O5 O 0.1338(19) 0.1119(12) 0.1703(12) 0.107(6) Uani 1 1 d . . .
O6 O 0.010(2) 0.2747(15) 0.1615(12) 0.119(7) Uani 1 1 d . . .
O7 O 0.050(4) 0.2129(17) 0.0432(14) 0.168(10) Uani 1 1 d . . .
O8 O -0.129(3) 0.152(2) 0.158(2) 0.232(16) Uani 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ag1 0.0500(8) 0.0547(9) 0.0380(8) -0.0032(6) -0.0047(6) -0.0089(6)
Ag2 0.0516(8) 0.0512(9) 0.0481(9) 0.0077(6) -0.0102(7) -0.0107(6)
S1 0.047(2) 0.069(3) 0.029(2) -0.003(2) -0.019(2) 0.002(2)
S2 0.041(2) 0.048(3) 0.052(3) -0.005(2) -0.015(2) 0.0010(18)
S3 0.036(2) 0.079(3) 0.040(3) 0.008(2) -0.015(2) -0.002(2)
S4 0.074(3) 0.056(3) 0.038(3) -0.010(2) -0.013(2) 0.003(2)
S5 0.057(3) 0.060(3) 0.029(2) -0.001(2) -0.001(2) -0.012(2)
S6 0.070(3) 0.055(3) 0.036(3) -0.009(2) 0.001(2) 0.007(2)
N1 0.040(7) 0.049(8) 0.033(8) -0.002(7) -0.010(6) -0.005(6)
N2 0.037(7) 0.037(8) 0.038(8) 0.006(6) -0.019(6) 0.006(6)
N3 0.036(7) 0.035(7) 0.037(8) 0.007(6) -0.007(6) -0.002(5)
N4 0.030(7) 0.066(9) 0.015(7) -0.003(6) -0.011(6) 0.014(6)
N5 0.038(7) 0.044(8) 0.026(7) 0.005(7) -0.006(6) -0.001(6)
N6 0.048(8) 0.051(9) 0.023(7) -0.019(6) 0.004(6) -0.010(6)
N7 0.077(12) 0.072(12) 0.063(12) 0.015(10) -0.011(10) 0.005(9)
N8 0.055(9) 0.063(11) 0.051(10) 0.003(8) 0.001(8) 0.006(8)
C1 0.060(12) 0.075(13) 0.043(11) 0.006(10) -0.003(10) -0.025(10)
C2 0.040(9) 0.037(9) 0.040(11) 0.009(8) -0.004(8) -0.004(7)
C3 0.029(8) 0.047(10) 0.057(12) -0.010(9) 0.010(8) 0.003(7)
C4 0.030(8) 0.048(9) 0.025(8) -0.010(7) -0.012(6) 0.002(6)
C5 0.060(11) 0.060(12) 0.069(13) 0.026(10) -0.029(10) -0.028(10)
C6 0.025(8) 0.083(13) 0.017(8) 0.009(8) -0.011(7) 0.003(8)
C7 0.036(5) 0.040(5) 0.027(5) -0.006(4) -0.003(4) 0.000(4)
C8 0.060(11) 0.048(10) 0.030(9) 0.017(8) -0.015(8) -0.011(8)
C9 0.046(10) 0.084(13) 0.022(9) 0.004(9) -0.015(8) -0.006(9)
C10 0.039(9) 0.087(13) 0.020(9) -0.010(9) -0.005(8) -0.013(9)
C11 0.058(10) 0.025(9) 0.036(10) 0.002(8) 0.000(8) -0.003(7)
C12 0.15(2) 0.048(13) 0.070(15) -0.041(11) 0.017(15) -0.015(12)
C13 0.056(11) 0.037(10) 0.034(10) 0.017(8) 0.004(9) -0.006(8)
C14 0.074(13) 0.044(11) 0.070(14) -0.005(10) 0.012(11) -0.007(9)
C15 0.066(12) 0.034(10) 0.046(11) -0.003(8) -0.002(9) -0.023(9)
C16 0.077(15) 0.102(17) 0.054(13) -0.001(12) 0.001(12) -0.023(13)
Cl1 0.058(3) 0.076(4) 0.061(3) -0.011(3) -0.008(3) -0.002(3)
O1 0.41(5) 0.15(2) 0.13(2) 0.054(18) -0.03(3) -0.06(3)
O2 0.109(12) 0.106(13) 0.127(15) -0.038(11) -0.063(12) 0.017(10)
O3 0.081(12) 0.24(2) 0.152(19) -0.124(19) -0.021(12) 0.037(14)
O4 0.089(13) 0.24(3) 0.26(3) -0.13(2) -0.099(17) 0.047(15)
Cl2 0.072(4) 0.085(4) 0.072(4) -0.008(3) -0.036(3) 0.013(3)
O5 0.082(10) 0.095(12) 0.122(14) 0.046(10) -0.055(10) 0.011(8)
O6 0.133(15) 0.135(16) 0.098(13) -0.054(12) -0.055(11) 0.065(12)
O7 0.30(3) 0.128(17) 0.077(14) -0.028(13) -0.039(17) 0.043(18)
O8 0.104(16) 0.18(2) 0.37(4) 0.08(3) -0.05(2) -0.084(16)

_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 N8 2.142(18) . ?
Ag1 N6 2.242(12) . ?
Ag1 N4 2.290(13) . ?
Ag1 N2 2.294(13) . ?
Ag2 N7 2.154(18) . ?
Ag2 N3 2.226(13) . ?
Ag2 N1 2.280(13) . ?
Ag2 N5 2.298(12) . ?
S1 C2 1.659(17) . ?
S1 C3 1.665(19) . ?
S2 C3 1.688(17) . ?
S2 C4 1.727(15) . ?
S3 C6 1.629(17) . ?
S3 C7 1.682(15) . ?
S4 C7 1.723(16) . ?
S4 C8 1.770(17) . ?
S5 C10 1.644(18) . ?
S5 C9 1.776(16) 2_666 ?
S6 C10 1.673(19) . ?
S6 C11 1.674(16) . ?
N1 C2 1.29(2) . ?
N1 N2 1.325(16) . ?
N2 C3 1.25(2) . ?
N3 C6 1.306(18) . ?
N3 N4 1.335(16) . ?
N4 C7 1.221(18) . ?
N5 C11 1.216(18) . ?
N5 N6 1.346(17) . ?
N6 C10 1.277(17) . ?
N7 C13 1.108(19) . ?
N8 C15 1.083(19) . ?
C1 C2 1.50(2) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C4 C4 1.50(3) 2_767 ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C6 1.42(2) . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C8 C9 1.39(2) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 S5 1.776(16) 2_666 ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C11 C12 1.42(2) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C14 1.41(2) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 C16 1.45(3) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
Cl1 O1 1.25(2) . ?
Cl1 O3 1.354(17) . ?
Cl1 O4 1.38(2) . ?
Cl1 O2 1.391(17) . ?
Cl2 O8 1.32(2) . ?
Cl2 O7 1.33(2) . ?
Cl2 O6 1.360(18) . ?
Cl2 O5 1.401(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
N8 Ag1 N6 119.1(5) . . ?
N8 Ag1 N4 120.5(5) . . ?
N6 Ag1 N4 92.4(4) . . ?
N8 Ag1 N2 117.1(5) . . ?
N6 Ag1 N2 98.9(5) . . ?
N4 Ag1 N2 104.3(4) . . ?
N7 Ag2 N3 119.6(6) . . ?
N7 Ag2 N1 113.4(6) . . ?
N3 Ag2 N1 103.1(5) . . ?
N7 Ag2 N5 116.8(6) . . ?
N3 Ag2 N5 100.2(5) . . ?
N1 Ag2 N5 101.2(5) . . ?
C2 S1 C3 87.1(9) . . ?
C3 S2 C4 103.1(9) . . ?
C6 S3 C7 87.2(8) . . ?
C7 S4 C8 99.5(7) . . ?
C10 S5 C9 103.6(8) . 2_666 ?
C10 S6 C11 87.3(8) . . ?
C2 N1 N2 113.2(12) . . ?
C2 N1 Ag2 131.9(10) . . ?
N2 N1 Ag2 114.9(10) . . ?
C3 N2 N1 111.5(13) . . ?
C3 N2 Ag1 126.8(12) . . ?
N1 N2 Ag1 119.0(9) . . ?
C6 N3 N4 111.2(12) . . ?
C6 N3 Ag2 130.3(11) . . ?
N4 N3 Ag2 116.5(9) . . ?
C7 N4 N3 112.8(12) . . ?
C7 N4 Ag1 127.5(11) . . ?
N3 N4 Ag1 118.9(9) . . ?
C11 N5 N6 112.8(12) . . ?
C11 N5 Ag2 130.0(11) . . ?
N6 N5 Ag2 112.4(9) . . ?
C10 N6 N5 112.6(13) . . ?
C10 N6 Ag1 125.8(12) . . ?
N5 N6 Ag1 121.3(9) . . ?
C13 N7 Ag2 163.4(16) . . ?
C15 N8 Ag1 173.5(15) . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
N1 C2 C1 122.9(14) . . ?
N1 C2 S1 112.8(11) . . ?
C1 C2 S1 124.3(13) . . ?
N2 C3 S1 115.2(13) . . ?
N2 C3 S2 120.1(14) . . ?
S1 C3 S2 124.6(11) . . ?
C4 C4 S2 113.7(13) 2_767 . ?
C4 C4 H4A 108.8 2_767 . ?
S2 C4 H4A 108.8 . . ?
C4 C4 H4B 108.8 2_767 . ?
S2 C4 H4B 108.8 . . ?
H4A C4 H4B 107.7 . . ?
C6 C5 H5A 109.5 . . ?
C6 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C6 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
N3 C6 C5 122.3(15) . . ?
N3 C6 S3 113.8(12) . . ?
C5 C6 S3 123.8(12) . . ?
N4 C7 S3 114.9(12) . . ?
N4 C7 S4 123.8(12) . . ?
S3 C7 S4 121.3(10) . . ?
C9 C8 S4 112.1(13) . . ?
C9 C8 H8A 109.2 . . ?
S4 C8 H8A 109.2 . . ?
C9 C8 H8B 109.2 . . ?
S4 C8 H8B 109.2 . . ?
H8A C8 H8B 107.9 . . ?
C8 C9 S5 114.8(13) . 2_666 ?
C8 C9 H9A 108.6 . . ?
S5 C9 H9A 108.6 2_666 . ?
C8 C9 H9B 108.6 . . ?
S5 C9 H9B 108.6 2_666 . ?
H9A C9 H9B 107.5 . . ?
N6 C10 S5 120.7(14) . . ?
N6 C10 S6 112.3(13) . . ?
S5 C10 S6 127.0(9) . . ?
N5 C11 C12 123.8(15) . . ?
N5 C11 S6 114.9(12) . . ?
C12 C11 S6 121.3(13) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N7 C13 C14 174(2) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N8 C15 C16 178(2) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O1 Cl1 O3 106(2) . . ?
O1 Cl1 O4 112(2) . . ?
O3 Cl1 O4 110.1(14) . . ?
O1 Cl1 O2 105.3(19) . . ?
O3 Cl1 O2 110.0(13) . . ?
O4 Cl1 O2 113.0(13) . . ?
O8 Cl2 O7 115(2) . . ?
O8 Cl2 O6 102.7(18) . . ?
O7 Cl2 O6 105.2(14) . . ?
O8 Cl2 O5 107.6(15) . . ?
O7 Cl2 O5 113.9(14) . . ?
O6 Cl2 O5 111.9(12) . . ?

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
N7 Ag2 N1 C2 -10.6(16) . . . . ?
N3 Ag2 N1 C2 120.1(15) . . . . ?
N5 Ag2 N1 C2 -136.6(15) . . . . ?
N7 Ag2 N1 N2 168.6(10) . . . . ?
N3 Ag2 N1 N2 -60.7(10) . . . . ?
N5 Ag2 N1 N2 42.6(10) . . . . ?
C2 N1 N2 C3 -3.7(18) . . . . ?
Ag2 N1 N2 C3 177.0(11) . . . . ?
C2 N1 N2 Ag1 -166.0(11) . . . . ?
Ag2 N1 N2 Ag1 14.6(12) . . . . ?
N8 Ag1 N2 C3 11.1(15) . . . . ?
N6 Ag1 N2 C3 140.4(13) . . . . ?
N4 Ag1 N2 C3 -124.8(13) . . . . ?
N8 Ag1 N2 N1 170.5(10) . . . . ?
N6 Ag1 N2 N1 -60.2(10) . . . . ?
N4 Ag1 N2 N1 34.5(11) . . . . ?
N7 Ag2 N3 C6 -18.3(15) . . . . ?
N1 Ag2 N3 C6 -145.2(13) . . . . ?
N5 Ag2 N3 C6 110.7(13) . . . . ?
N7 Ag2 N3 N4 179.7(9) . . . . ?
N1 Ag2 N3 N4 52.8(10) . . . . ?
N5 Ag2 N3 N4 -51.3(10) . . . . ?
C6 N3 N4 C7 3.0(17) . . . . ?
Ag2 N3 N4 C7 168.3(10) . . . . ?
C6 N3 N4 Ag1 -168.2(9) . . . . ?
Ag2 N3 N4 Ag1 -2.9(12) . . . . ?
N8 Ag1 N4 C7 13.3(14) . . . . ?
N6 Ag1 N4 C7 -112.8(13) . . . . ?
N2 Ag1 N4 C7 147.3(12) . . . . ?
N8 Ag1 N4 N3 -176.9(9) . . . . ?
N6 Ag1 N4 N3 57.0(10) . . . . ?
N2 Ag1 N4 N3 -42.8(10) . . . . ?
N7 Ag2 N5 C11 21.3(17) . . . . ?
N3 Ag2 N5 C11 -109.4(15) . . . . ?
N1 Ag2 N5 C11 145.0(15) . . . . ?
N7 Ag2 N5 N6 174.9(10) . . . . ?
N3 Ag2 N5 N6 44.2(10) . . . . ?
N1 Ag2 N5 N6 -61.5(10) . . . . ?
C11 N5 N6 C10 -1.9(18) . . . . ?
Ag2 N5 N6 C10 -160.2(11) . . . . ?
C11 N5 N6 Ag1 173.3(11) . . . . ?
Ag2 N5 N6 Ag1 15.1(12) . . . . ?
N8 Ag1 N6 C10 -17.9(15) . . . . ?
N4 Ag1 N6 C10 109.3(13) . . . . ?
N2 Ag1 N6 C10 -145.8(13) . . . . ?
N8 Ag1 N6 N5 167.6(10) . . . . ?
N4 Ag1 N6 N5 -65.2(11) . . . . ?
N2 Ag1 N6 N5 39.7(11) . . . . ?
N3 Ag2 N7 C13 -45(6) . . . . ?
N1 Ag2 N7 C13 77(6) . . . . ?
N5 Ag2 N7 C13 -166(6) . . . . ?
N6 Ag1 N8 C15 -33(14) . . . . ?
N4 Ag1 N8 C15 -145(14) . . . . ?
N2 Ag1 N8 C15 86(14) . . . . ?
N2 N1 C2 C1 -178.7(14) . . . . ?
Ag2 N1 C2 C1 0(2) . . . . ?
N2 N1 C2 S1 1.0(17) . . . . ?
Ag2 N1 C2 S1 -179.8(7) . . . . ?
C3 S1 C2 N1 1.3(13) . . . . ?
C3 S1 C2 C1 -179.0(15) . . . . ?
N1 N2 C3 S1 4.8(17) . . . . ?
Ag1 N2 C3 S1 165.4(7) . . . . ?
N1 N2 C3 S2 -178.0(10) . . . . ?
Ag1 N2 C3 S2 -17.3(19) . . . . ?
C2 S1 C3 N2 -3.5(14) . . . . ?
C2 S1 C3 S2 179.4(11) . . . . ?
C4 S2 C3 N2 -148.4(13) . . . . ?
C4 S2 C3 S1 28.6(12) . . . . ?
C3 S2 C4 C4 76.6(16) . . . 2_767 ?
N4 N3 C6 C5 179.5(15) . . . . ?
Ag2 N3 C6 C5 17(2) . . . . ?
N4 N3 C6 S3 -3.9(16) . . . . ?
Ag2 N3 C6 S3 -166.6(8) . . . . ?
C7 S3 C6 N3 2.9(12) . . . . ?
C7 S3 C6 C5 179.4(16) . . . . ?
N3 N4 C7 S3 -0.9(16) . . . . ?
Ag1 N4 C7 S3 169.5(6) . . . . ?
N3 N4 C7 S4 179.4(10) . . . . ?
Ag1 N4 C7 S4 -10.3(19) . . . . ?
C6 S3 C7 N4 -1.1(12) . . . . ?
C6 S3 C7 S4 178.6(10) . . . . ?
C8 S4 C7 N4 90.9(14) . . . . ?
C8 S4 C7 S3 -88.8(10) . . . . ?
C7 S4 C8 C9 75.6(14) . . . . ?
S4 C8 C9 S5 -178.9(9) . . . 2_666 ?
N5 N6 C10 S5 177.9(11) . . . . ?
Ag1 N6 C10 S5 2.9(19) . . . . ?
N5 N6 C10 S6 0.0(16) . . . . ?
Ag1 N6 C10 S6 -174.9(7) . . . . ?
C9 S5 C10 N6 -174.3(13) 2_666 . . . ?
C9 S5 C10 S6 3.2(14) 2_666 . . . ?
C11 S6 C10 N6 1.2(13) . . . . ?
C11 S6 C10 S5 -176.5(13) . . . . ?
N6 N5 C11 C12 -176.8(19) . . . . ?
Ag2 N5 C11 C12 -23(3) . . . . ?
N6 N5 C11 S6 2.9(18) . . . . ?
Ag2 N5 C11 S6 156.3(8) . . . . ?
C10 S6 C11 N5 -2.4(14) . . . . ?
C10 S6 C11 C12 177.3(19) . . . . ?
Ag2 N7 C13 C14 -57(22) . . . . ?
Ag1 N8 C15 C16 -20(67) . . . . ?

_diffrn_measured_fraction_theta_max 0.888
_diffrn_reflns_theta_full        25.02
_diffrn_measured_fraction_theta_full 0.888
_refine_diff_density_max         1.236
_refine_diff_density_min         -1.293
_refine_diff_density_rms         0.175

#===END