# Electronic Supplementary Material for CrystEngComm
# This journal is (c) The Royal Society of Chemistry 2008

data_global
_journal_name_full               CrystEngComm

_journal_coden_Cambridge         1350

_publ_contact_author_name        'Xian-He Bu'
_publ_contact_author_email       BUXH@NANKAI.EDU.CN

_publ_section_title              
;
Silver(I) coordination architectures with
quinoxaline-based N,S-donor ligands: structures and luminescent
properties
;
loop_
_publ_author_name
'Xian-He Bu.'
'Jian-Long Du.'
'Tong-Liang Hu.'
'Jian-Rong Li.'
;
Shu-Ming Zhang
;

# Attachment 'Revised-Complexes_1-4.CIF'

data_1
_database_code_depnum_ccdc_archive 'CCDC 664353'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C64 H88 Ag4 Cl4 N8 O16 S8'
_chemical_formula_weight         2055.18

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'
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           Tetragonal
_symmetry_space_group_name_H-M   I4(1)/a

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-y+3/4, x+1/4, z+1/4'
'y+3/4, -x+3/4, z+3/4'
'x+1/2, y+1/2, z+1/2'
'-x+1, -y+1/2, z+1'
'-y+5/4, x+3/4, z+3/4'
'y+5/4, -x+5/4, z+5/4'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'y-3/4, -x-1/4, -z-1/4'
'-y-3/4, x-3/4, -z-3/4'
'-x+1/2, -y+1/2, -z+1/2'
'x, y+1/2, -z'
'y-1/4, -x+1/4, -z+1/4'
'-y-1/4, x-1/4, -z-1/4'

_cell_length_a                   19.486(3)
_cell_length_b                   19.486(3)
_cell_length_c                   21.706(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     8242(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    294(2)
_cell_measurement_reflns_used    17519
_cell_measurement_theta_min      3.0
_cell_measurement_theta_max      27.9

_exptl_crystal_description       block
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.656
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4160
_exptl_absorpt_coefficient_mu    1.333
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7671
_exptl_absorpt_correction_T_max  0.8250
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      294(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  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 0
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            34984
_diffrn_reflns_av_R_equivalents  0.0544
_diffrn_reflns_av_sigmaI/netI    0.0330
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         3.00
_diffrn_reflns_theta_max         25.00
_reflns_number_total             3621
_reflns_number_gt                2397
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker XSCANS'
_computing_cell_refinement       'Bruker XSCANS'
_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 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. In the data, there are 120
restraints including 6 operations of SADI, 24 operations of SIMU,18 operations
of DFIX and 72 operations of ISOR, which are used to refine the disordered
propyls and S atom of ligand L1. Moreover, there are 129 restraints including
30 operations of SADI,9 operations of DFIX and 90 operations of ISOR,
which are used to refine the disordered perchloric acid radical.
;

_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)+(0.0719P)²+59.4576P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3621
_refine_ls_number_parameters     337
_refine_ls_number_restraints     249
_refine_ls_R_factor_all          0.0976
_refine_ls_R_factor_gt           0.0640
_refine_ls_wR_factor_ref         0.1809
_refine_ls_wR_factor_gt          0.1563
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_restrained_S_all      1.313
_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 0.75605(4) 0.34229(4) 0.86962(5) 0.0878(4) Uani 1 1 d . . .
C1 C 0.6402(4) 0.1463(4) 0.8173(4) 0.0526(19) Uani 1 1 d . B .
C2 C 0.5893(4) 0.1319(5) 0.7742(5) 0.070(2) Uani 1 1 d . . .
H2 H 0.5675 0.0895 0.7748 0.084 Uiso 1 1 calc R . .
C3 C 0.5711(5) 0.1793(5) 0.7313(5) 0.084(3) Uani 1 1 d . . .
H3 H 0.5365 0.1693 0.7032 0.100 Uiso 1 1 calc R . .
C4 C 0.6042(5) 0.2432(5) 0.7289(5) 0.086(3) Uani 1 1 d . . .
H4 H 0.5922 0.2750 0.6988 0.103 Uiso 1 1 calc R . .
C5 C 0.6536(5) 0.2586(5) 0.7705(5) 0.075(3) Uani 1 1 d . B .
H5 H 0.6748 0.3013 0.7691 0.090 Uiso 1 1 calc R . .
C6 C 0.6731(4) 0.2109(4) 0.8158(4) 0.059(2) Uani 1 1 d . . .
C7 C 0.7421(4) 0.1799(4) 0.8968(4) 0.053(2) Uani 1 1 d . . .
C8 C 0.7985(5) 0.1949(5) 0.9423(5) 0.070(2) Uani 1 1 d . B .
H8A H 0.8405 0.1742 0.9272 0.084 Uiso 1 1 calc R A 1
H8B H 0.7872 0.1726 0.9809 0.084 Uiso 1 1 calc R A 1
C9 C 0.7095(4) 0.1131(4) 0.8978(4) 0.054(2) Uani 1 1 d . B .
C10 C 0.7339(5) 0.0615(4) 0.9447(4) 0.066(2) Uani 1 1 d . . .
H10A H 0.7255 0.0806 0.9853 0.079 Uiso 1 1 calc R B .
H10B H 0.7832 0.0569 0.9402 0.079 Uiso 1 1 calc R . .
C11 C 0.9069(8) 0.291(2) 0.9547(13) 0.214(15) Uani 0.547(17) 1 d PDU B 1
H11A H 0.9260 0.2561 0.9276 0.257 Uiso 0.547(17) 1 calc PR B 1
H11B H 0.9230 0.3358 0.9422 0.257 Uiso 0.547(17) 1 calc PR B 1
C12 C 0.9225(13) 0.2761(16) 1.0220(17) 0.229(14) Uani 0.547(17) 1 d PDU B 1
H12A H 0.8839 0.2521 1.0402 0.275 Uiso 0.547(17) 1 calc PR B 1
H12B H 0.9623 0.2463 1.0245 0.275 Uiso 0.547(17) 1 calc PR B 1
C13 C 0.936(2) 0.341(2) 1.0583(16) 0.200(15) Uani 0.547(17) 1 d PDU B 1
H13A H 0.9516 0.3289 1.0989 0.300 Uiso 0.547(17) 1 calc PR B 1
H13B H 0.8950 0.3674 1.0610 0.300 Uiso 0.547(17) 1 calc PR B 1
H13C H 0.9712 0.3672 1.0379 0.300 Uiso 0.547(17) 1 calc PR B 1
C14 C 0.7494(8) -0.0545(7) 0.8789(8) 0.074(6) Uani 0.59(2) 1 d PDU B 1
H14A H 0.7435 -0.0245 0.8436 0.088 Uiso 0.59(2) 1 calc PR B 1
H14B H 0.7975 -0.0535 0.8906 0.088 Uiso 0.59(2) 1 calc PR B 1
C15 C 0.7299(10) -0.1259(8) 0.8615(8) 0.092(7) Uani 0.59(2) 1 d PDU B 1
H15A H 0.6815 -0.1268 0.8510 0.110 Uiso 0.59(2) 1 calc PR B 1
H15B H 0.7367 -0.1558 0.8967 0.110 Uiso 0.59(2) 1 calc PR B 1
C16 C 0.7713(16) -0.1532(12) 0.8072(12) 0.142(12) Uani 0.59(2) 1 d PDU B 1
H16A H 0.7562 -0.1989 0.7974 0.213 Uiso 0.59(2) 1 calc PR B 1
H16B H 0.8191 -0.1541 0.8179 0.213 Uiso 0.59(2) 1 calc PR B 1
H16C H 0.7646 -0.1240 0.7721 0.213 Uiso 0.59(2) 1 calc PR B 1
C11' C 0.8434(19) 0.295(2) 1.0109(9) 0.178(14) Uani 0.453(17) 1 d PDU B 2
H11C H 0.7969 0.3039 1.0245 0.214 Uiso 0.453(17) 1 calc PR B 2
H11D H 0.8612 0.2565 1.0349 0.214 Uiso 0.453(17) 1 calc PR B 2
C12' C 0.8878(19) 0.3572(16) 1.0197(17) 0.189(14) Uani 0.453(17) 1 d PDU B 2
H12C H 0.8701 0.3943 0.9944 0.226 Uiso 0.453(17) 1 calc PR B 2
H12D H 0.8854 0.3717 1.0624 0.226 Uiso 0.453(17) 1 calc PR B 2
C13' C 0.9613(18) 0.344(2) 1.003(2) 0.199(16) Uani 0.453(17) 1 d PDU B 2
H13D H 0.9894 0.3481 1.0391 0.298 Uiso 0.453(17) 1 calc PR B 2
H13E H 0.9758 0.3775 0.9730 0.298 Uiso 0.453(17) 1 calc PR B 2
H13F H 0.9657 0.2990 0.9860 0.298 Uiso 0.453(17) 1 calc PR B 2
C14' C 0.7533(14) -0.0836(13) 0.9109(8) 0.099(11) Uani 0.41(2) 1 d PDU B 2
H14C H 0.7997 -0.0765 0.9258 0.119 Uiso 0.41(2) 1 calc PR B 2
H14D H 0.7390 -0.1297 0.9217 0.119 Uiso 0.41(2) 1 calc PR B 2
C15' C 0.7502(13) -0.0735(13) 0.8417(8) 0.076(8) Uani 0.41(2) 1 d PDU B 2
H15C H 0.7666 -0.0280 0.8311 0.091 Uiso 0.41(2) 1 calc PR B 2
H15D H 0.7032 -0.0778 0.8275 0.091 Uiso 0.41(2) 1 calc PR B 2
C16' C 0.795(2) -0.128(2) 0.8102(13) 0.141(17) Uani 0.41(2) 1 d PDU B 2
H16D H 0.7949 -0.1211 0.7664 0.212 Uiso 0.41(2) 1 calc PR B 2
H16E H 0.7779 -0.1730 0.8194 0.212 Uiso 0.41(2) 1 calc PR B 2
H16F H 0.8417 -0.1244 0.8251 0.212 Uiso 0.41(2) 1 calc PR B 2
Cl1 Cl 0.91912(15) 0.06832(15) 0.84916(16) 0.0959(9) Uani 1 1 d D . .
N1 N 0.7231(3) 0.2267(3) 0.8577(3) 0.0556(17) Uani 1 1 d . B .
N2 N 0.6599(3) 0.0981(3) 0.8597(3) 0.0545(17) Uani 1 1 d . . .
O1 O 0.9536(7) 0.0719(8) 0.7897(5) 0.125(6) Uani 0.64(2) 1 d PDU C 1
O2 O 0.9155(9) -0.0034(6) 0.8619(10) 0.161(9) Uani 0.64(2) 1 d PDU C 1
O3 O 0.9499(10) 0.1093(10) 0.8934(8) 0.159(10) Uani 0.64(2) 1 d PDU C 1
O4 O 0.8498(5) 0.0908(6) 0.8347(7) 0.089(5) Uani 0.64(2) 1 d PDU C 1
O1' O 0.9677(12) 0.0254(12) 0.8293(13) 0.190(17) Uani 0.36(2) 1 d PDU C 2
O2' O 0.9077(12) 0.0263(12) 0.9000(9) 0.111(10) Uani 0.36(2) 1 d PDU C 2
O3' O 0.9471(12) 0.1290(8) 0.8735(11) 0.081(7) Uani 0.36(2) 1 d PDU C 2
O4' O 0.8627(13) 0.0787(17) 0.8151(15) 0.24(3) Uani 0.36(2) 1 d PDU C 2
S1 S 0.8154(5) 0.2865(3) 0.9580(5) 0.083(3) Uani 0.547(17) 1 d PDU B 1
S2 S 0.69748(13) -0.02293(12) 0.94276(14) 0.0790(8) Uani 1 1 d DU B .
S1' S 0.8439(4) 0.2734(4) 0.9308(4) 0.067(2) Uani 0.453(17) 1 d PDU B 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 2.356(6) . ?
Ag1 N2 2.461(7) 16_657 ?
Ag1 S2 2.478(3) 16_657 ?
Ag1 S1 2.490(7) . ?
Ag1 S1' 2.549(7) . ?
C1 N2 1.370(10) . ?
C1 C2 1.392(12) . ?
C1 C6 1.413(11) . ?
C2 C3 1.359(13) . ?
C2 H2 0.9300 . ?
C3 C4 1.404(14) . ?
C3 H3 0.9300 . ?
C4 C5 1.353(13) . ?
C4 H4 0.9300 . ?
C5 C6 1.406(12) . ?
C5 H5 0.9300 . ?
C6 N1 1.367(10) . ?
C7 N1 1.300(10) . ?
C7 C9 1.449(11) . ?
C7 C8 1.506(12) . ?
C8 S1' 1.786(11) . ?
C8 S1 1.847(11) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 N2 1.305(10) . ?
C9 C10 1.508(12) . ?
C10 S2 1.793(9) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.518(13) . ?
C11 S1 1.786(13) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 C13 1.511(13) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 C15 1.491(12) . ?
C14 S2 1.823(11) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.524(12) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C11' C12' 1.509(13) . ?
C11' S1' 1.787(13) . ?
C11' H11C 0.9700 . ?
C11' H11D 0.9700 . ?
C12' C13' 1.499(13) . ?
C12' H12C 0.9700 . ?
C12' H12D 0.9700 . ?
C13' H13D 0.9600 . ?
C13' H13E 0.9600 . ?
C13' H13F 0.9600 . ?
C14' C15' 1.516(13) . ?
C14' S2 1.750(12) . ?
C14' H14C 0.9700 . ?
C14' H14D 0.9700 . ?
C15' C16' 1.542(13) . ?
C15' H15C 0.9700 . ?
C15' H15D 0.9700 . ?
C16' H16D 0.9600 . ?
C16' H16E 0.9600 . ?
C16' H16F 0.9600 . ?
Cl1 O1' 1.335(12) . ?
Cl1 O4' 1.341(12) . ?
Cl1 O3 1.386(10) . ?
Cl1 O2' 1.393(11) . ?
Cl1 O3' 1.406(11) . ?
Cl1 O2 1.426(10) . ?
Cl1 O4 1.455(9) . ?
Cl1 O1 1.456(9) . ?
N2 Ag1 2.461(7) 11_667 ?
S2 Ag1 2.478(3) 11_667 ?

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 N2 107.9(2) . 16_657 ?
N1 Ag1 S2 140.04(19) . 16_657 ?
N2 Ag1 S2 76.49(17) 16_657 16_657 ?
N1 Ag1 S1 78.1(2) . . ?
N2 Ag1 S1 118.4(3) 16_657 . ?
S2 Ag1 S1 136.08(17) 16_657 . ?
N1 Ag1 S1' 74.7(2) . . ?
N2 Ag1 S1' 137.8(3) 16_657 . ?
S2 Ag1 S1' 129.12(17) 16_657 . ?
S1 Ag1 S1' 19.35(16) . . ?
N2 C1 C2 120.8(8) . . ?
N2 C1 C6 120.0(7) . . ?
C2 C1 C6 119.2(8) . . ?
C3 C2 C1 120.6(9) . . ?
C3 C2 H2 119.7 . . ?
C1 C2 H2 119.7 . . ?
C2 C3 C4 120.5(9) . . ?
C2 C3 H3 119.7 . . ?
C4 C3 H3 119.7 . . ?
C5 C4 C3 119.9(10) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
C4 C5 C6 120.9(9) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 H5 119.5 . . ?
N1 C6 C5 120.6(8) . . ?
N1 C6 C1 120.6(7) . . ?
C5 C6 C1 118.8(8) . . ?
N1 C7 C9 121.0(7) . . ?
N1 C7 C8 120.0(7) . . ?
C9 C7 C8 119.0(8) . . ?
C7 C8 S1' 115.9(7) . . ?
C7 C8 S1 116.0(7) . . ?
S1' C8 S1 27.0(2) . . ?
C7 C8 H8A 108.3 . . ?
S1' C8 H8A 83.8 . . ?
S1 C8 H8A 108.3 . . ?
C7 C8 H8B 108.3 . . ?
S1' C8 H8B 128.1 . . ?
S1 C8 H8B 108.3 . . ?
H8A C8 H8B 107.4 . . ?
N2 C9 C7 121.1(7) . . ?
N2 C9 C10 120.8(7) . . ?
C7 C9 C10 118.1(8) . . ?
C9 C10 S2 118.1(6) . . ?
C9 C10 H10A 107.8 . . ?
S2 C10 H10A 107.8 . . ?
C9 C10 H10B 107.8 . . ?
S2 C10 H10B 107.8 . . ?
H10A C10 H10B 107.1 . . ?
C12 C11 S1 98.8(8) . . ?
C12 C11 H11A 112.0 . . ?
S1 C11 H11A 112.0 . . ?
C12 C11 H11B 112.0 . . ?
S1 C11 H11B 112.0 . . ?
H11A C11 H11B 109.7 . . ?
C13 C12 C11 112.3(13) . . ?
C13 C12 H12A 109.1 . . ?
C11 C12 H12A 109.1 . . ?
C13 C12 H12B 109.1 . . ?
C11 C12 H12B 109.1 . . ?
H12A C12 H12B 107.9 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C15 C14 S2 111.5(10) . . ?
C15 C14 H14A 109.3 . . ?
S2 C14 H14A 109.3 . . ?
C15 C14 H14B 109.3 . . ?
S2 C14 H14B 109.3 . . ?
H14A C14 H14B 108.0 . . ?
C14 C15 C16 112.8(12) . . ?
C14 C15 H15A 109.0 . . ?
C16 C15 H15A 109.0 . . ?
C14 C15 H15B 109.0 . . ?
C16 C15 H15B 109.0 . . ?
H15A C15 H15B 107.8 . . ?
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 . . ?
C12' C11' S1' 107.8(14) . . ?
C12' C11' H11C 110.1 . . ?
S1' C11' H11C 110.1 . . ?
C12' C11' H11D 110.1 . . ?
S1' C11' H11D 110.1 . . ?
H11C C11' H11D 108.5 . . ?
C13' C12' C11' 112.4(11) . . ?
C13' C12' H12C 109.1 . . ?
C11' C12' H12C 109.1 . . ?
C13' C12' H12D 109.1 . . ?
C11' C12' H12D 109.1 . . ?
H12C C12' H12D 107.9 . . ?
C12' C13' H13D 109.5 . . ?
C12' C13' H13E 109.5 . . ?
H13D C13' H13E 109.5 . . ?
C12' C13' H13F 109.5 . . ?
H13D C13' H13F 109.5 . . ?
H13E C13' H13F 109.5 . . ?
C15' C14' S2 106.2(12) . . ?
C15' C14' H14C 110.5 . . ?
S2 C14' H14C 110.5 . . ?
C15' C14' H14D 110.5 . . ?
S2 C14' H14D 110.5 . . ?
H14C C14' H14D 108.7 . . ?
C14' C15' C16' 109.0(12) . . ?
C14' C15' H15C 109.9 . . ?
C16' C15' H15C 109.9 . . ?
C14' C15' H15D 109.9 . . ?
C16' C15' H15D 109.9 . . ?
H15C C15' H15D 108.3 . . ?
C15' C16' H16D 109.5 . . ?
C15' C16' H16E 109.5 . . ?
H16D C16' H16E 109.5 . . ?
C15' C16' H16F 109.5 . . ?
H16D C16' H16F 109.5 . . ?
H16E C16' H16F 109.5 . . ?
O1' Cl1 O4' 119.9(14) . . ?
O1' Cl1 O3 106.1(17) . . ?
O4' Cl1 O3 130.6(18) . . ?
O1' Cl1 O2' 90.0(7) . . ?
O4' Cl1 O2' 113.2(14) . . ?
O3 Cl1 O2' 81.9(13) . . ?
O1' Cl1 O3' 112.0(12) . . ?
O4' Cl1 O3' 113.5(13) . . ?
O3 Cl1 O3' 24.0(13) . . ?
O2' Cl1 O3' 105.0(11) . . ?
O1' Cl1 O2 58.9(12) . . ?
O4' Cl1 O2 102.4(16) . . ?
O3 Cl1 O2 116.9(10) . . ?
O2' Cl1 O2 42.4(10) . . ?
O3' Cl1 O2 140.4(12) . . ?
O1' Cl1 O4 141.1(15) . . ?
O4' Cl1 O4 22.1(18) . . ?
O3 Cl1 O4 112.2(9) . . ?
O2' Cl1 O4 101.5(11) . . ?
O3' Cl1 O4 100.8(12) . . ?
O2 Cl1 O4 106.9(8) . . ?
O1' Cl1 O1 54.3(12) . . ?
O4' Cl1 O1 83.2(17) . . ?
O3 Cl1 O1 112.8(10) . . ?
O2' Cl1 O1 143.5(11) . . ?
O3' Cl1 O1 96.6(11) . . ?
O2 Cl1 O1 103.9(9) . . ?
O4 Cl1 O1 102.9(7) . . ?
C7 N1 C6 118.6(7) . . ?
C7 N1 Ag1 121.4(5) . . ?
C6 N1 Ag1 118.8(5) . . ?
C9 N2 C1 118.6(7) . . ?
C9 N2 Ag1 117.8(5) . 11_667 ?
C1 N2 Ag1 122.6(5) . 11_667 ?
C11 S1 C8 102.5(14) . . ?
C11 S1 Ag1 114.4(12) . . ?
C8 S1 Ag1 101.4(4) . . ?
C14' S2 C10 112.6(12) . . ?
C14' S2 C14 29.1(8) . . ?
C10 S2 C14 96.2(6) . . ?
C14' S2 Ag1 112.8(9) . 11_667 ?
C10 S2 Ag1 102.6(3) . 11_667 ?
C14 S2 Ag1 95.1(6) . 11_667 ?
C8 S1' C11' 93.3(11) . . ?
C8 S1' Ag1 101.0(4) . . ?
C11' S1' Ag1 112.5(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
N2 C1 C2 C3 -178.4(9) . . . . ?
C6 C1 C2 C3 -0.2(14) . . . . ?
C1 C2 C3 C4 1.1(16) . . . . ?
C2 C3 C4 C5 -1.5(17) . . . . ?
C3 C4 C5 C6 0.9(17) . . . . ?
C4 C5 C6 N1 179.9(9) . . . . ?
C4 C5 C6 C1 -0.1(15) . . . . ?
N2 C1 C6 N1 -2.1(12) . . . . ?
C2 C1 C6 N1 179.7(8) . . . . ?
N2 C1 C6 C5 177.9(8) . . . . ?
C2 C1 C6 C5 -0.3(12) . . . . ?
N1 C7 C8 S1' -8.8(12) . . . . ?
C9 C7 C8 S1' 171.4(7) . . . . ?
N1 C7 C8 S1 21.2(12) . . . . ?
C9 C7 C8 S1 -158.6(8) . . . . ?
N1 C7 C9 N2 -0.6(12) . . . . ?
C8 C7 C9 N2 179.2(8) . . . . ?
N1 C7 C9 C10 -179.7(8) . . . . ?
C8 C7 C9 C10 0.1(11) . . . . ?
N2 C9 C10 S2 4.7(11) . . . . ?
C7 C9 C10 S2 -176.1(6) . . . . ?
S1 C11 C12 C13 -99(3) . . . . ?
S2 C14 C15 C16 178.7(18) . . . . ?
S1' C11' C12' C13' -63(4) . . . . ?
S2 C14' C15' C16' -177(3) . . . . ?
C9 C7 N1 C6 -2.0(12) . . . . ?
C8 C7 N1 C6 178.1(8) . . . . ?
C9 C7 N1 Ag1 165.6(5) . . . . ?
C8 C7 N1 Ag1 -14.2(11) . . . . ?
C5 C6 N1 C7 -176.6(8) . . . . ?
C1 C6 N1 C7 3.3(12) . . . . ?
C5 C6 N1 Ag1 15.4(11) . . . . ?
C1 C6 N1 Ag1 -164.6(6) . . . . ?
N2 Ag1 N1 C7 -114.0(6) 16_657 . . . ?
S2 Ag1 N1 C7 155.8(5) 16_657 . . . ?
S1 Ag1 N1 C7 2.4(7) . . . . ?
S1' Ag1 N1 C7 22.0(6) . . . . ?
N2 Ag1 N1 C6 53.6(6) 16_657 . . . ?
S2 Ag1 N1 C6 -36.6(7) 16_657 . . . ?
S1 Ag1 N1 C6 170.0(7) . . . . ?
S1' Ag1 N1 C6 -170.4(7) . . . . ?
C7 C9 N2 C1 1.8(11) . . . . ?
C10 C9 N2 C1 -179.1(7) . . . . ?
C7 C9 N2 Ag1 -166.8(6) . . . 11_667 ?
C10 C9 N2 Ag1 12.3(10) . . . 11_667 ?
C2 C1 N2 C9 177.6(8) . . . . ?
C6 C1 N2 C9 -0.5(11) . . . . ?
C2 C1 N2 Ag1 -14.3(10) . . . 11_667 ?
C6 C1 N2 Ag1 167.5(6) . . . 11_667 ?
C12 C11 S1 C8 -89.9(19) . . . . ?
C12 C11 S1 Ag1 161.3(17) . . . . ?
C7 C8 S1 C11 -134.7(12) . . . . ?
S1' C8 S1 C11 -38.3(12) . . . . ?
C7 C8 S1 Ag1 -16.3(9) . . . . ?
S1' C8 S1 Ag1 80.1(8) . . . . ?
N1 Ag1 S1 C11 116.4(14) . . . . ?
N2 Ag1 S1 C11 -139.5(14) 16_657 . . . ?
S2 Ag1 S1 C11 -39.1(15) 16_657 . . . ?
S1' Ag1 S1 C11 38.6(15) . . . . ?
N1 Ag1 S1 C8 7.0(5) . . . . ?
N2 Ag1 S1 C8 111.1(6) 16_657 . . . ?
S2 Ag1 S1 C8 -148.6(4) 16_657 . . . ?
S1' Ag1 S1 C8 -70.8(7) . . . . ?
C15' C14' S2 C10 -78(2) . . . . ?
C15' C14' S2 C14 -18.2(17) . . . . ?
C15' C14' S2 Ag1 38(2) . . . 11_667 ?
C9 C10 S2 C14' 104.1(10) . . . . ?
C9 C10 S2 C14 79.2(9) . . . . ?
C9 C10 S2 Ag1 -17.4(7) . . . 11_667 ?
C15 C14 S2 C14' 56(2) . . . . ?
C15 C14 S2 C10 -177.1(15) . . . . ?
C15 C14 S2 Ag1 -73.8(15) . . . 11_667 ?
C7 C8 S1' C11' 136.6(16) . . . . ?
S1 C8 S1' C11' 39.6(15) . . . . ?
C7 C8 S1' Ag1 22.9(9) . . . . ?
S1 C8 S1' Ag1 -74.1(7) . . . . ?
C12' C11' S1' C8 173(2) . . . . ?
C12' C11' S1' Ag1 -84(2) . . . . ?
N1 Ag1 S1' C8 -20.2(5) . . . . ?
N2 Ag1 S1' C8 79.8(6) 16_657 . . . ?
S2 Ag1 S1' C8 -163.6(4) 16_657 . . . ?
S1 Ag1 S1' C8 77.3(7) . . . . ?
N1 Ag1 S1' C11' -118.5(11) . . . . ?
N2 Ag1 S1' C11' -18.5(11) 16_657 . . . ?
S2 Ag1 S1' C11' 98.1(11) 16_657 . . . ?
S1 Ag1 S1' C11' -21.0(12) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.722
_refine_diff_density_min         -0.503
_refine_diff_density_rms         0.082

#===END

data_2
_database_code_depnum_ccdc_archive 'CCDC 664354'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C16 H22 Ag2 N4 O6.50 S2'
_chemical_formula_weight         654.24

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                   13.094(3)
_cell_length_b                   13.318(3)
_cell_length_c                   13.684(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 93.81(3)
_cell_angle_gamma                90.00
_cell_volume                     2381.0(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    294(2)
_cell_measurement_reflns_used    15007
_cell_measurement_theta_min      3.0
_cell_measurement_theta_max      27.9

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.825
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1296
_exptl_absorpt_coefficient_mu    1.860
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7551
_exptl_absorpt_correction_T_max  0.8358
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      294(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  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 0
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            19650
_diffrn_reflns_av_R_equivalents  0.1207
_diffrn_reflns_av_sigmaI/netI    0.0921
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.98
_diffrn_reflns_theta_max         25.01
_reflns_number_total             4156
_reflns_number_gt                2439
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker XSCANS'
_computing_cell_refinement       'Bruker XSCANS'
_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 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)+(0.0979P)²+10.2486P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4156
_refine_ls_number_parameters     282
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1423
_refine_ls_R_factor_gt           0.0857
_refine_ls_wR_factor_ref         0.2368
_refine_ls_wR_factor_gt          0.2018
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_restrained_S_all      1.069
_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 0.86212(9) 0.11311(8) -0.04618(8) 0.0741(4) Uani 1 1 d . . .
Ag2 Ag 1.03298(9) 0.14623(7) 0.23393(8) 0.0717(4) Uani 1 1 d . . .
C1 C 0.5861(16) -0.037(2) 0.141(2) 0.195(14) Uani 1 1 d . . .
H1A H 0.6245 -0.0923 0.1701 0.292 Uiso 1 1 calc R . .
H1B H 0.5446 -0.0607 0.0853 0.292 Uiso 1 1 calc R . .
H1C H 0.5429 -0.0094 0.1883 0.292 Uiso 1 1 calc R . .
C2 C 0.6639(14) 0.048(2) 0.1071(13) 0.145(10) Uani 1 1 d . . .
H2A H 0.6874 0.0312 0.0434 0.174 Uiso 1 1 calc R . .
H2B H 0.6291 0.1123 0.1019 0.174 Uiso 1 1 calc R . .
C3 C 0.7495(11) 0.0546(11) 0.1777(12) 0.086(5) Uani 1 1 d . . .
H3A H 0.7753 -0.0125 0.1921 0.104 Uiso 1 1 calc R . .
H3B H 0.7270 0.0828 0.2379 0.104 Uiso 1 1 calc R . .
C4 C 0.8096(9) 0.2582(9) 0.1557(9) 0.057(3) Uani 1 1 d . . .
H4A H 0.7504 0.2721 0.1114 0.069 Uiso 1 1 calc R . .
H4B H 0.7887 0.2633 0.2222 0.069 Uiso 1 1 calc R . .
C5 C 0.8918(9) 0.3345(8) 0.1403(8) 0.047(3) Uani 1 1 d . . .
C6 C 1.0506(10) 0.3677(8) 0.0885(9) 0.056(3) Uani 1 1 d . . .
C7 C 1.1422(10) 0.3361(10) 0.0447(9) 0.061(3) Uani 1 1 d . . .
H7 H 1.1502 0.2687 0.0291 0.074 Uiso 1 1 calc R . .
C8 C 1.2152(10) 0.4007(11) 0.0260(9) 0.065(3) Uani 1 1 d . . .
H8 H 1.2722 0.3790 -0.0052 0.078 Uiso 1 1 calc R . .
C9 C 1.2063(11) 0.5069(11) 0.0543(9) 0.071(4) Uani 1 1 d . . .
H9 H 1.2585 0.5521 0.0436 0.085 Uiso 1 1 calc R . .
C10 C 1.1198(10) 0.5381(9) 0.0968(8) 0.058(3) Uani 1 1 d . . .
H10 H 1.1132 0.6050 0.1149 0.070 Uiso 1 1 calc R . .
C11 C 1.0409(9) 0.4696(8) 0.1132(8) 0.051(3) Uani 1 1 d . . .
C12 C 0.8844(9) 0.4363(8) 0.1711(7) 0.046(3) Uani 1 1 d . . .
C13 C 0.7913(9) 0.4738(9) 0.2180(8) 0.052(3) Uani 1 1 d . . .
H13A H 0.7455 0.4180 0.2281 0.063 Uiso 1 1 calc R . .
H13B H 0.7552 0.5216 0.1746 0.063 Uiso 1 1 calc R . .
C14 C 0.7073(10) 0.5921(10) 0.3665(10) 0.071(4) Uani 1 1 d . . .
H14A H 0.6536 0.5418 0.3636 0.085 Uiso 1 1 calc R . .
H14B H 0.7151 0.6170 0.4332 0.085 Uiso 1 1 calc R . .
C15 C 0.6740(13) 0.6815(12) 0.2957(14) 0.104(6) Uani 1 1 d . . .
H15A H 0.6564 0.6570 0.2300 0.124 Uiso 1 1 calc R . .
H15B H 0.7287 0.7303 0.2931 0.124 Uiso 1 1 calc R . .
C16 C 0.5765(14) 0.7301(17) 0.3417(19) 0.155(10) Uani 1 1 d . . .
H16A H 0.5434 0.6803 0.3793 0.233 Uiso 1 1 calc R . .
H16B H 0.5296 0.7539 0.2899 0.233 Uiso 1 1 calc R . .
H16C H 0.5980 0.7852 0.3833 0.233 Uiso 1 1 calc R . .
N1 N 0.9751(8) 0.3006(7) 0.1030(6) 0.051(2) Uani 1 1 d . . .
N2 N 0.9554(8) 0.5010(7) 0.1594(6) 0.051(2) Uani 1 1 d . . .
N3 N 1.0590(11) 0.1735(9) -0.1369(8) 0.069(3) Uani 1 1 d . . .
N4 N 0.6551(12) 0.2381(12) -0.1084(11) 0.086(4) Uani 1 1 d . . .
O1 O 0.9722(8) 0.2142(7) -0.1491(6) 0.072(2) Uani 1 1 d . . .
O2 O 1.0661(8) 0.0999(8) -0.0783(8) 0.091(3) Uani 1 1 d . . .
O3 O 1.1272(9) 0.2062(9) -0.1814(8) 0.100(3) Uani 1 1 d . . .
O4 O 0.7480(13) 0.2507(10) -0.0980(12) 0.140(5) Uani 1 1 d . . .
O5 O 0.5995(18) 0.287(2) -0.088(4) 0.38(3) Uani 1 1 d . . .
O6 O 0.6372(16) 0.1614(15) -0.1490(17) 0.199(9) Uani 1 1 d . . .
O1W O 0.453(2) 0.451(4) 0.910(3) 0.22(2) Uani 0.50 1 d P . .
S1 S 0.8545(3) 0.1328(2) 0.1344(2) 0.0576(8) Uani 1 1 d . . .
S2 S 0.8265(2) 0.5341(2) 0.3353(2) 0.0530(8) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 O4 2.440(15) . ?
Ag1 O1 2.479(9) . ?
Ag1 S1 2.493(3) . ?
Ag1 S2 2.567(3) 4_565 ?
Ag2 N2 2.422(9) 2_745 ?
Ag2 O3 2.556(12) 4_566 ?
Ag2 S2 2.598(3) 2_745 ?
Ag2 S1 2.631(4) . ?
C1 C2 1.62(3) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C3 1.43(2) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 S1 1.853(15) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 C5 1.505(16) . ?
C4 S1 1.800(12) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 N1 1.315(14) . ?
C5 C12 1.426(15) . ?
C6 N1 1.357(14) . ?
C6 C11 1.406(16) . ?
C6 C7 1.439(17) . ?
C7 C8 1.324(18) . ?
C7 H7 0.9300 . ?
C8 C9 1.474(19) . ?
C8 H8 0.9300 . ?
C9 C10 1.371(18) . ?
C9 H9 0.9300 . ?
C10 C11 1.407(16) . ?
C10 H10 0.9300 . ?
C11 N2 1.386(14) . ?
C12 N2 1.286(14) . ?
C12 C13 1.500(15) . ?
C13 S2 1.827(11) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C15 1.58(2) . ?
C14 S2 1.818(12) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.60(2) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
N2 Ag2 2.422(9) 2_755 ?
N3 O3 1.195(14) . ?
N3 O1 1.260(14) . ?
N3 O2 1.267(14) . ?
N4 O5 1.03(2) . ?
N4 O6 1.18(2) . ?
N4 O4 1.227(17) . ?
O3 Ag2 2.556(12) 4_565 ?
S2 Ag1 2.567(3) 4_566 ?
S2 Ag2 2.598(3) 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
O4 Ag1 O1 78.2(4) . . ?
O4 Ag1 S1 98.3(4) . . ?
O1 Ag1 S1 124.7(2) . . ?
O4 Ag1 S2 107.9(4) . 4_565 ?
O1 Ag1 S2 98.3(2) . 4_565 ?
S1 Ag1 S2 133.53(10) . 4_565 ?
N2 Ag2 O3 109.4(3) 2_745 4_566 ?
N2 Ag2 S2 75.1(2) 2_745 2_745 ?
O3 Ag2 S2 106.0(3) 4_566 2_745 ?
N2 Ag2 S1 106.0(2) 2_745 . ?
O3 Ag2 S1 132.2(3) 4_566 . ?
S2 Ag2 S1 113.47(10) 2_745 . ?
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 . . ?
C3 C2 C1 109.2(17) . . ?
C3 C2 H2A 109.8 . . ?
C1 C2 H2A 109.8 . . ?
C3 C2 H2B 109.8 . . ?
C1 C2 H2B 109.8 . . ?
H2A C2 H2B 108.3 . . ?
C2 C3 S1 112.5(12) . . ?
C2 C3 H3A 109.1 . . ?
S1 C3 H3A 109.1 . . ?
C2 C3 H3B 109.1 . . ?
S1 C3 H3B 109.1 . . ?
H3A C3 H3B 107.8 . . ?
C5 C4 S1 111.1(8) . . ?
C5 C4 H4A 109.4 . . ?
S1 C4 H4A 109.4 . . ?
C5 C4 H4B 109.4 . . ?
S1 C4 H4B 109.4 . . ?
H4A C4 H4B 108.0 . . ?
N1 C5 C12 121.1(11) . . ?
N1 C5 C4 116.2(10) . . ?
C12 C5 C4 122.5(10) . . ?
N1 C6 C11 121.5(11) . . ?
N1 C6 C7 120.2(11) . . ?
C11 C6 C7 118.3(11) . . ?
C8 C7 C6 121.6(12) . . ?
C8 C7 H7 119.2 . . ?
C6 C7 H7 119.2 . . ?
C7 C8 C9 120.1(12) . . ?
C7 C8 H8 119.9 . . ?
C9 C8 H8 119.9 . . ?
C10 C9 C8 119.0(12) . . ?
C10 C9 H9 120.5 . . ?
C8 C9 H9 120.5 . . ?
C9 C10 C11 120.4(12) . . ?
C9 C10 H10 119.8 . . ?
C11 C10 H10 119.8 . . ?
N2 C11 C6 119.3(11) . . ?
N2 C11 C10 120.0(11) . . ?
C6 C11 C10 120.6(12) . . ?
N2 C12 C5 122.4(11) . . ?
N2 C12 C13 116.5(10) . . ?
C5 C12 C13 121.1(11) . . ?
C12 C13 S2 110.9(8) . . ?
C12 C13 H13A 109.5 . . ?
S2 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
S2 C13 H13B 109.5 . . ?
H13A C13 H13B 108.0 . . ?
C15 C14 S2 112.5(10) . . ?
C15 C14 H14A 109.1 . . ?
S2 C14 H14A 109.1 . . ?
C15 C14 H14B 109.1 . . ?
S2 C14 H14B 109.1 . . ?
H14A C14 H14B 107.8 . . ?
C14 C15 C16 105.0(14) . . ?
C14 C15 H15A 110.7 . . ?
C16 C15 H15A 110.7 . . ?
C14 C15 H15B 110.7 . . ?
C16 C15 H15B 110.7 . . ?
H15A C15 H15B 108.8 . . ?
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 . . ?
C5 N1 C6 117.5(10) . . ?
C12 N2 C11 117.9(10) . . ?
C12 N2 Ag2 118.4(7) . 2_755 ?
C11 N2 Ag2 119.7(8) . 2_755 ?
O3 N3 O1 118.3(12) . . ?
O3 N3 O2 125.4(14) . . ?
O1 N3 O2 116.4(12) . . ?
O5 N4 O6 124(3) . . ?
O5 N4 O4 127(2) . . ?
O6 N4 O4 109.8(18) . . ?
N3 O1 Ag1 104.2(7) . . ?
N3 O3 Ag2 99.0(9) . 4_565 ?
N4 O4 Ag1 121.0(11) . . ?
C4 S1 C3 102.3(6) . . ?
C4 S1 Ag1 107.0(4) . . ?
C3 S1 Ag1 109.7(5) . . ?
C4 S1 Ag2 98.1(4) . . ?
C3 S1 Ag2 121.7(5) . . ?
Ag1 S1 Ag2 115.31(13) . . ?
C14 S2 C13 102.9(6) . . ?
C14 S2 Ag1 107.4(5) . 4_566 ?
C13 S2 Ag1 104.2(4) . 4_566 ?
C14 S2 Ag2 118.8(5) . 2_755 ?
C13 S2 Ag2 94.3(4) . 2_755 ?
Ag1 S2 Ag2 124.48(13) 4_566 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
C1 C2 C3 S1 169.3(16) . . . . ?
S1 C4 C5 N1 8.3(13) . . . . ?
S1 C4 C5 C12 -166.9(8) . . . . ?
N1 C6 C7 C8 177.2(12) . . . . ?
C11 C6 C7 C8 -1.2(18) . . . . ?
C6 C7 C8 C9 3.0(19) . . . . ?
C7 C8 C9 C10 -2.4(19) . . . . ?
C8 C9 C10 C11 0.1(18) . . . . ?
N1 C6 C11 N2 4.4(17) . . . . ?
C7 C6 C11 N2 -177.2(10) . . . . ?
N1 C6 C11 C10 -179.5(10) . . . . ?
C7 C6 C11 C10 -1.1(17) . . . . ?
C9 C10 C11 N2 177.7(10) . . . . ?
C9 C10 C11 C6 1.6(17) . . . . ?
N1 C5 C12 N2 3.8(16) . . . . ?
C4 C5 C12 N2 178.8(10) . . . . ?
N1 C5 C12 C13 -177.2(10) . . . . ?
C4 C5 C12 C13 -2.2(16) . . . . ?
N2 C12 C13 S2 -54.5(12) . . . . ?
C5 C12 C13 S2 126.5(9) . . . . ?
S2 C14 C15 C16 -173.7(13) . . . . ?
C12 C5 N1 C6 -4.6(15) . . . . ?
C4 C5 N1 C6 -179.8(10) . . . . ?
C11 C6 N1 C5 0.6(16) . . . . ?
C7 C6 N1 C5 -177.8(10) . . . . ?
C5 C12 N2 C11 1.3(15) . . . . ?
C13 C12 N2 C11 -177.8(9) . . . . ?
C5 C12 N2 Ag2 -156.4(7) . . . 2_755 ?
C13 C12 N2 Ag2 24.6(12) . . . 2_755 ?
C6 C11 N2 C12 -5.2(15) . . . . ?
C10 C11 N2 C12 178.7(10) . . . . ?
C6 C11 N2 Ag2 152.2(8) . . . 2_755 ?
C10 C11 N2 Ag2 -24.0(13) . . . 2_755 ?
O3 N3 O1 Ag1 177.7(10) . . . . ?
O2 N3 O1 Ag1 -1.6(13) . . . . ?
O4 Ag1 O1 N3 172.6(9) . . . . ?
S1 Ag1 O1 N3 80.6(8) . . . . ?
S2 Ag1 O1 N3 -80.7(7) 4_565 . . . ?
O1 N3 O3 Ag2 3.5(13) . . . 4_565 ?
O2 N3 O3 Ag2 -177.2(12) . . . 4_565 ?
O5 N4 O4 Ag1 139(4) . . . . ?
O6 N4 O4 Ag1 -43(2) . . . . ?
O1 Ag1 O4 N4 149.5(15) . . . . ?
S1 Ag1 O4 N4 -86.7(14) . . . . ?
S2 Ag1 O4 N4 54.5(15) 4_565 . . . ?
C5 C4 S1 C3 170.9(9) . . . . ?
C5 C4 S1 Ag1 -73.8(8) . . . . ?
C5 C4 S1 Ag2 45.9(8) . . . . ?
C2 C3 S1 C4 79.4(16) . . . . ?
C2 C3 S1 Ag1 -33.9(16) . . . . ?
C2 C3 S1 Ag2 -172.9(14) . . . . ?
O4 Ag1 S1 C4 -19.4(6) . . . . ?
O1 Ag1 S1 C4 61.9(5) . . . . ?
S2 Ag1 S1 C4 -144.0(4) 4_565 . . . ?
O4 Ag1 S1 C3 90.8(7) . . . . ?
O1 Ag1 S1 C3 172.2(6) . . . . ?
S2 Ag1 S1 C3 -33.8(6) 4_565 . . . ?
O4 Ag1 S1 Ag2 -127.4(4) . . . . ?
O1 Ag1 S1 Ag2 -46.0(3) . . . . ?
S2 Ag1 S1 Ag2 107.99(16) 4_565 . . . ?
N2 Ag2 S1 C4 130.0(5) 2_745 . . . ?
O3 Ag2 S1 C4 -6.5(5) 4_566 . . . ?
S2 Ag2 S1 C4 -149.6(4) 2_745 . . . ?
N2 Ag2 S1 C3 20.1(7) 2_745 . . . ?
O3 Ag2 S1 C3 -116.4(7) 4_566 . . . ?
S2 Ag2 S1 C3 100.5(6) 2_745 . . . ?
N2 Ag2 S1 Ag1 -116.7(3) 2_745 . . . ?
O3 Ag2 S1 Ag1 106.7(4) 4_566 . . . ?
S2 Ag2 S1 Ag1 -36.32(16) 2_745 . . . ?
C15 C14 S2 C13 -68.0(12) . . . . ?
C15 C14 S2 Ag1 -177.6(10) . . . 4_566 ?
C15 C14 S2 Ag2 34.3(13) . . . 2_755 ?
C12 C13 S2 C14 170.1(8) . . . . ?
C12 C13 S2 Ag1 -77.9(8) . . . 4_566 ?
C12 C13 S2 Ag2 49.3(8) . . . 2_755 ?

_diffrn_measured_fraction_theta_max 0.990
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.990
_refine_diff_density_max         1.241
_refine_diff_density_min         -0.659
_refine_diff_density_rms         0.165

#===END

data_3
_database_code_depnum_ccdc_archive 'CCDC 664355'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C18 H26 Ag3 N5 O9 S2'
_chemical_formula_weight         844.17

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   Cc

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'

_cell_length_a                   15.7120(17)
_cell_length_b                   9.3505(10)
_cell_length_c                   18.7239(19)
_cell_angle_alpha                90.00
_cell_angle_beta                 99.482(2)
_cell_angle_gamma                90.00
_cell_volume                     2713.2(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    294(2)
_cell_measurement_reflns_used    5393
_cell_measurement_theta_min      2.54
_cell_measurement_theta_max      26.32

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_exptl_crystal_density_meas      NONE
_exptl_crystal_density_diffrn    2.067
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1656
_exptl_absorpt_coefficient_mu    2.353
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6505
_exptl_absorpt_correction_T_max  0.7342
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      294(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 0
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            7607
_diffrn_reflns_av_R_equivalents  0.0285
_diffrn_reflns_av_sigmaI/netI    0.0349
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.21
_diffrn_reflns_theta_max         26.42
_reflns_number_total             4019
_reflns_number_gt                3868
_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 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)+(0.0223P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.00318(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.025(19)
_refine_ls_number_reflns         4019
_refine_ls_number_parameters     341
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0233
_refine_ls_R_factor_gt           0.0219
_refine_ls_wR_factor_ref         0.0499
_refine_ls_wR_factor_gt          0.0492
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_restrained_S_all      1.062
_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 0.92228(2) 0.47822(3) 0.702435(17) 0.04603(10) Uani 1 1 d . . .
Ag2 Ag 0.56692(2) 1.02534(4) 0.463781(19) 0.05181(11) Uani 1 1 d . . .
Ag3 Ag 0.83715(2) 1.20066(3) 0.520240(19) 0.03859(9) Uani 1 1 d . . .
C1 C 0.6331(3) 0.3884(7) 0.5425(4) 0.0765(18) Uani 1 1 d . . .
H1A H 0.5760 0.3804 0.5542 0.115 Uiso 1 1 calc R . .
H1B H 0.6469 0.3028 0.5186 0.115 Uiso 1 1 calc R . .
H1C H 0.6355 0.4690 0.5111 0.115 Uiso 1 1 calc R . .
C2 C 0.6807(5) 0.5435(7) 0.6536(5) 0.090(2) Uani 1 1 d . . .
H2A H 0.6256 0.5347 0.6690 0.135 Uiso 1 1 calc R . .
H2B H 0.6802 0.6249 0.6223 0.135 Uiso 1 1 calc R . .
H2C H 0.7249 0.5557 0.6951 0.135 Uiso 1 1 calc R . .
C3 C 0.6986(4) 0.2762(7) 0.6588(3) 0.0683(16) Uani 1 1 d . . .
H3A H 0.7379 0.2883 0.7034 0.102 Uiso 1 1 calc R . .
H3B H 0.7160 0.1956 0.6330 0.102 Uiso 1 1 calc R . .
H3C H 0.6415 0.2602 0.6692 0.102 Uiso 1 1 calc R . .
C4 C 0.6989(3) 0.4095(5) 0.6130(3) 0.0474(11) Uani 1 1 d . . .
C5 C 0.8129(3) 0.5795(4) 0.5402(2) 0.0377(10) Uani 1 1 d . . .
H5A H 0.8509 0.5633 0.5051 0.045 Uiso 1 1 calc R . .
H5B H 0.7556 0.5972 0.5134 0.045 Uiso 1 1 calc R . .
C6 C 0.8428(2) 0.7138(3) 0.5825(2) 0.0269(7) Uani 1 1 d . . .
C7 C 0.9231(2) 0.8240(4) 0.68111(19) 0.0280(8) Uani 1 1 d . . .
C8 C 0.9762(3) 0.8165(4) 0.7493(2) 0.0363(9) Uani 1 1 d . . .
H8 H 0.9883 0.7282 0.7716 0.044 Uiso 1 1 calc R . .
C9 C 1.0101(3) 0.9381(4) 0.7829(2) 0.0384(9) Uani 1 1 d . . .
H9 H 1.0448 0.9321 0.8281 0.046 Uiso 1 1 calc R . .
C10 C 0.9932(3) 1.0715(4) 0.7501(2) 0.0401(9) Uani 1 1 d . . .
H10 H 1.0169 1.1535 0.7735 0.048 Uiso 1 1 calc R . .
C11 C 0.9421(3) 1.0823(4) 0.6838(2) 0.0373(9) Uani 1 1 d . . .
H11 H 0.9314 1.1715 0.6622 0.045 Uiso 1 1 calc R . .
C12 C 0.9057(2) 0.9593(4) 0.64825(19) 0.0265(8) Uani 1 1 d . . .
C13 C 0.8228(2) 0.8520(4) 0.54987(19) 0.0227(7) Uani 1 1 d . . .
C14 C 0.7670(3) 0.8591(4) 0.4759(2) 0.0357(9) Uani 1 1 d . . .
H14A H 0.7194 0.7926 0.4748 0.043 Uiso 1 1 calc R . .
H14B H 0.8009 0.8279 0.4399 0.043 Uiso 1 1 calc R . .
C15 C 0.7244(3) 1.0486(4) 0.3520(2) 0.0360(9) Uani 1 1 d . . .
C16 C 0.8150(4) 1.0410(8) 0.3366(3) 0.0708(17) Uani 1 1 d . . .
H16A H 0.8139 1.0377 0.2852 0.106 Uiso 1 1 calc R . .
H16B H 0.8426 0.9564 0.3584 0.106 Uiso 1 1 calc R . .
H16C H 0.8465 1.1239 0.3562 0.106 Uiso 1 1 calc R . .
C17 C 0.6839(4) 1.1951(5) 0.3338(3) 0.0593(14) Uani 1 1 d . . .
H17A H 0.7209 1.2679 0.3582 0.089 Uiso 1 1 calc R . .
H17B H 0.6287 1.1993 0.3494 0.089 Uiso 1 1 calc R . .
H17C H 0.6767 1.2104 0.2825 0.089 Uiso 1 1 calc R . .
C18 C 0.6686(3) 0.9295(5) 0.3137(2) 0.0462(11) Uani 1 1 d . . .
H18A H 0.6635 0.9416 0.2622 0.069 Uiso 1 1 calc R . .
H18B H 0.6124 0.9331 0.3273 0.069 Uiso 1 1 calc R . .
H18C H 0.6948 0.8386 0.3273 0.069 Uiso 1 1 calc R . .
N1 N 0.8899(2) 0.7025(3) 0.64671(17) 0.0296(7) Uani 1 1 d . . .
N2 N 0.8539(2) 0.9687(3) 0.58152(18) 0.0279(7) Uani 1 1 d . . .
N3 N 0.9140(2) 0.3775(4) 0.8565(2) 0.0456(9) Uani 1 1 d . . .
N4 N 0.5771(3) 0.9322(4) 0.6206(2) 0.0434(8) Uani 1 1 d . . .
N5 N 1.0006(3) 1.2177(5) 0.4614(2) 0.0613(12) Uani 1 1 d . . .
O1 O 0.9675(2) 0.4365(4) 0.82440(18) 0.0571(9) Uani 1 1 d . . .
O2 O 0.8418(3) 0.3538(7) 0.8243(3) 0.1025(18) Uani 1 1 d . . .
O3 O 0.9362(2) 0.3412(4) 0.92076(17) 0.0574(8) Uani 1 1 d . . .
O4 O 0.5266(3) 1.0170(4) 0.5831(2) 0.0712(12) Uani 1 1 d . . .
O5 O 0.6470(3) 0.9038(5) 0.6025(3) 0.0785(12) Uani 1 1 d . . .
O6 O 0.5564(2) 0.8806(4) 0.67622(17) 0.0545(8) Uani 1 1 d . . .
O7 O 0.9766(3) 1.1039(6) 0.4810(4) 0.121(2) Uani 1 1 d . . .
O8 O 0.9508(4) 1.3180(5) 0.4607(4) 0.109(2) Uani 1 1 d . . .
O9 O 1.0715(3) 1.2310(6) 0.4414(3) 0.0876(15) Uani 1 1 d . . .
S1 S 0.80904(6) 0.41745(8) 0.59160(5) 0.02870(19) Uani 1 1 d . . .
S2 S 0.72343(6) 1.03554(9) 0.45071(5) 0.02792(19) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 O1 2.310(3) . ?
Ag1 N1 2.360(3) . ?
Ag1 O6 2.420(4) 3_545 ?
Ag1 S1 2.5650(10) . ?
Ag2 O4 2.422(4) . ?
Ag2 O3 2.424(3) 4_464 ?
Ag2 S2 2.5128(10) . ?
Ag3 N2 2.448(3) . ?
Ag3 S1 2.5067(9) 1_565 ?
Ag3 O8 2.507(5) . ?
Ag3 S2 2.5506(9) . ?
Ag3 O7 2.586(6) . ?
C1 C4 1.550(8) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C4 1.516(8) . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 C4 1.514(7) . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 S1 1.842(5) . ?
C5 C6 1.517(5) . ?
C5 S1 1.801(4) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 N1 1.309(5) . ?
C6 C13 1.441(5) . ?
C7 N1 1.366(5) . ?
C7 C8 1.407(5) . ?
C7 C12 1.414(5) . ?
C8 C9 1.364(6) . ?
C8 H8 0.9300 . ?
C9 C10 1.396(6) . ?
C9 H9 0.9300 . ?
C10 C11 1.367(6) . ?
C10 H10 0.9300 . ?
C11 C12 1.402(5) . ?
C11 H11 0.9300 . ?
C12 N2 1.377(5) . ?
C13 N2 1.298(5) . ?
C13 C14 1.514(5) . ?
C14 S2 1.818(3) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.500(7) . ?
C15 C18 1.522(6) . ?
C15 C17 1.525(6) . ?
C15 S2 1.855(4) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
N3 O2 1.215(5) . ?
N3 O1 1.240(5) . ?
N3 O3 1.244(5) . ?
N4 O5 1.230(5) . ?
N4 O6 1.238(5) . ?
N4 O4 1.252(5) . ?
N5 O7 1.206(6) . ?
N5 O8 1.221(7) . ?
N5 O9 1.239(6) . ?
O3 Ag2 2.424(3) 4_565 ?
O6 Ag1 2.420(4) 3_455 ?
S1 Ag3 2.5067(9) 1_545 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Ag1 N1 126.57(12) . . ?
O1 Ag1 O6 90.04(12) . 3_545 ?
N1 Ag1 O6 112.14(11) . 3_545 ?
O1 Ag1 S1 145.24(9) . . ?
N1 Ag1 S1 76.64(8) . . ?
O6 Ag1 S1 105.27(8) 3_545 . ?
O4 Ag2 O3 89.27(12) . 4_464 ?
O4 Ag2 S2 120.00(10) . . ?
O3 Ag2 S2 137.47(10) 4_464 . ?
N2 Ag3 S1 118.79(8) . 1_565 ?
N2 Ag3 O8 124.51(16) . . ?
S1 Ag3 O8 94.81(13) 1_565 . ?
N2 Ag3 S2 73.45(7) . . ?
S1 Ag3 S2 126.26(3) 1_565 . ?
O8 Ag3 S2 121.89(15) . . ?
N2 Ag3 O7 78.02(13) . . ?
S1 Ag3 O7 131.77(14) 1_565 . ?
O8 Ag3 O7 47.81(16) . . ?
S2 Ag3 O7 101.44(14) . . ?
C4 C1 H1A 109.5 . . ?
C4 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C4 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C4 C2 H2A 109.5 . . ?
C4 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C4 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C4 C3 H3A 109.5 . . ?
C4 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C4 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C3 C4 C2 112.2(5) . . ?
C3 C4 C1 108.3(4) . . ?
C2 C4 C1 112.2(5) . . ?
C3 C4 S1 104.3(3) . . ?
C2 C4 S1 109.7(4) . . ?
C1 C4 S1 109.8(4) . . ?
C6 C5 S1 116.9(3) . . ?
C6 C5 H5A 108.1 . . ?
S1 C5 H5A 108.1 . . ?
C6 C5 H5B 108.1 . . ?
S1 C5 H5B 108.1 . . ?
H5A C5 H5B 107.3 . . ?
N1 C6 C13 120.8(3) . . ?
N1 C6 C5 119.4(3) . . ?
C13 C6 C5 119.6(3) . . ?
N1 C7 C8 120.6(3) . . ?
N1 C7 C12 120.5(3) . . ?
C8 C7 C12 118.9(3) . . ?
C9 C8 C7 120.3(4) . . ?
C9 C8 H8 119.9 . . ?
C7 C8 H8 119.9 . . ?
C8 C9 C10 120.7(4) . . ?
C8 C9 H9 119.6 . . ?
C10 C9 H9 119.6 . . ?
C11 C10 C9 120.4(4) . . ?
C11 C10 H10 119.8 . . ?
C9 C10 H10 119.8 . . ?
C10 C11 C12 120.2(4) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
N2 C12 C11 120.8(3) . . ?
N2 C12 C7 119.7(3) . . ?
C11 C12 C7 119.5(3) . . ?
N2 C13 C6 121.4(3) . . ?
N2 C13 C14 119.9(3) . . ?
C6 C13 C14 118.7(3) . . ?
C13 C14 S2 114.4(3) . . ?
C13 C14 H14A 108.7 . . ?
S2 C14 H14A 108.7 . . ?
C13 C14 H14B 108.7 . . ?
S2 C14 H14B 108.7 . . ?
H14A C14 H14B 107.6 . . ?
C16 C15 C18 111.4(4) . . ?
C16 C15 C17 112.0(5) . . ?
C18 C15 C17 111.4(4) . . ?
C16 C15 S2 110.7(3) . . ?
C18 C15 S2 108.8(3) . . ?
C17 C15 S2 102.1(3) . . ?
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 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C6 N1 C7 118.7(3) . . ?
C6 N1 Ag1 121.8(2) . . ?
C7 N1 Ag1 119.5(2) . . ?
C13 N2 C12 118.8(3) . . ?
C13 N2 Ag3 121.8(2) . . ?
C12 N2 Ag3 118.9(2) . . ?
O2 N3 O1 119.5(4) . . ?
O2 N3 O3 121.4(4) . . ?
O1 N3 O3 119.1(4) . . ?
O5 N4 O6 121.1(4) . . ?
O5 N4 O4 119.6(4) . . ?
O6 N4 O4 119.3(4) . . ?
O7 N5 O8 116.6(5) . . ?
O7 N5 O9 121.5(6) . . ?
O8 N5 O9 121.8(5) . . ?
N3 O1 Ag1 115.6(3) . . ?
N3 O3 Ag2 105.6(3) . 4_565 ?
N4 O4 Ag2 107.5(3) . . ?
N4 O6 Ag1 112.4(3) . 3_455 ?
N5 O7 Ag3 95.8(4) . . ?
N5 O8 Ag3 99.3(4) . . ?
C5 S1 C4 105.4(2) . . ?
C5 S1 Ag3 111.78(14) . 1_545 ?
C4 S1 Ag3 109.76(15) . 1_545 ?
C5 S1 Ag1 99.54(13) . . ?
C4 S1 Ag1 112.59(16) . . ?
Ag3 S1 Ag1 116.79(4) 1_545 . ?
C14 S2 C15 104.67(19) . . ?
C14 S2 Ag2 105.84(15) . . ?
C15 S2 Ag2 105.59(14) . . ?
C14 S2 Ag3 102.40(13) . . ?
C15 S2 Ag3 110.39(14) . . ?
Ag2 S2 Ag3 126.00(4) . . ?

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
S1 C5 C6 N1 22.4(5) . . . . ?
S1 C5 C6 C13 -160.9(3) . . . . ?
N1 C7 C8 C9 179.1(4) . . . . ?
C12 C7 C8 C9 0.0(6) . . . . ?
C7 C8 C9 C10 -0.4(7) . . . . ?
C8 C9 C10 C11 0.2(7) . . . . ?
C9 C10 C11 C12 0.4(7) . . . . ?
C10 C11 C12 N2 179.8(4) . . . . ?
C10 C11 C12 C7 -0.7(6) . . . . ?
N1 C7 C12 N2 0.9(6) . . . . ?
C8 C7 C12 N2 180.0(4) . . . . ?
N1 C7 C12 C11 -178.5(4) . . . . ?
C8 C7 C12 C11 0.5(6) . . . . ?
N1 C6 C13 N2 3.1(6) . . . . ?
C5 C6 C13 N2 -173.6(4) . . . . ?
N1 C6 C13 C14 -179.2(4) . . . . ?
C5 C6 C13 C14 4.1(6) . . . . ?
N2 C13 C14 S2 -17.4(5) . . . . ?
C6 C13 C14 S2 164.9(3) . . . . ?
C13 C6 N1 C7 -2.8(6) . . . . ?
C5 C6 N1 C7 173.9(4) . . . . ?
C13 C6 N1 Ag1 179.1(3) . . . . ?
C5 C6 N1 Ag1 -4.2(5) . . . . ?
C8 C7 N1 C6 -178.1(4) . . . . ?
C12 C7 N1 C6 0.9(6) . . . . ?
C8 C7 N1 Ag1 0.0(5) . . . . ?
C12 C7 N1 Ag1 179.0(3) . . . . ?
O1 Ag1 N1 C6 -160.5(3) . . . . ?
O6 Ag1 N1 C6 91.9(3) 3_545 . . . ?
S1 Ag1 N1 C6 -9.4(3) . . . . ?
O1 Ag1 N1 C7 21.4(3) . . . . ?
O6 Ag1 N1 C7 -86.2(3) 3_545 . . . ?
S1 Ag1 N1 C7 172.5(3) . . . . ?
C6 C13 N2 C12 -1.2(5) . . . . ?
C14 C13 N2 C12 -178.9(4) . . . . ?
C6 C13 N2 Ag3 171.5(3) . . . . ?
C14 C13 N2 Ag3 -6.2(5) . . . . ?
C11 C12 N2 C13 178.7(4) . . . . ?
C7 C12 N2 C13 -0.7(5) . . . . ?
C11 C12 N2 Ag3 5.8(5) . . . . ?
C7 C12 N2 Ag3 -173.6(3) . . . . ?
S1 Ag3 N2 C13 141.5(3) 1_565 . . . ?
O8 Ag3 N2 C13 -98.9(3) . . . . ?
S2 Ag3 N2 C13 18.8(3) . . . . ?
O7 Ag3 N2 C13 -87.1(3) . . . . ?
S1 Ag3 N2 C12 -45.7(3) 1_565 . . . ?
O8 Ag3 N2 C12 73.9(3) . . . . ?
S2 Ag3 N2 C12 -168.5(3) . . . . ?
O7 Ag3 N2 C12 85.6(3) . . . . ?
O2 N3 O1 Ag1 -4.3(6) . . . . ?
O3 N3 O1 Ag1 174.2(3) . . . . ?
N1 Ag1 O1 N3 109.2(3) . . . . ?
O6 Ag1 O1 N3 -132.8(3) 3_545 . . . ?
S1 Ag1 O1 N3 -15.2(5) . . . . ?
O2 N3 O3 Ag2 -163.9(5) . . . 4_565 ?
O1 N3 O3 Ag2 17.6(5) . . . 4_565 ?
O5 N4 O4 Ag2 20.6(5) . . . . ?
O6 N4 O4 Ag2 -160.8(3) . . . . ?
O3 Ag2 O4 N4 170.2(3) 4_464 . . . ?
S2 Ag2 O4 N4 -42.3(4) . . . . ?
O5 N4 O6 Ag1 173.8(4) . . . 3_455 ?
O4 N4 O6 Ag1 -4.7(5) . . . 3_455 ?
O8 N5 O7 Ag3 -6.8(6) . . . . ?
O9 N5 O7 Ag3 174.6(4) . . . . ?
N2 Ag3 O7 N5 -162.9(4) . . . . ?
S1 Ag3 O7 N5 -44.8(5) 1_565 . . . ?
O8 Ag3 O7 N5 4.0(4) . . . . ?
S2 Ag3 O7 N5 127.0(4) . . . . ?
O7 N5 O8 Ag3 7.1(7) . . . . ?
O9 N5 O8 Ag3 -174.4(4) . . . . ?
N2 Ag3 O8 N5 11.6(5) . . . . ?
S1 Ag3 O8 N5 141.7(4) 1_565 . . . ?
S2 Ag3 O8 N5 -79.6(5) . . . . ?
O7 Ag3 O8 N5 -4.0(4) . . . . ?
C6 C5 S1 C4 91.4(4) . . . . ?
C6 C5 S1 Ag3 -149.4(3) . . . 1_545 ?
C6 C5 S1 Ag1 -25.4(4) . . . . ?
C3 C4 S1 C5 -177.6(3) . . . . ?
C2 C4 S1 C5 -57.2(5) . . . . ?
C1 C4 S1 C5 66.5(4) . . . . ?
C3 C4 S1 Ag3 61.8(4) . . . 1_545 ?
C2 C4 S1 Ag3 -177.7(4) . . . 1_545 ?
C1 C4 S1 Ag3 -54.0(4) . . . 1_545 ?
C3 C4 S1 Ag1 -70.1(4) . . . . ?
C2 C4 S1 Ag1 50.3(5) . . . . ?
C1 C4 S1 Ag1 174.0(3) . . . . ?
O1 Ag1 S1 C5 153.2(2) . . . . ?
N1 Ag1 S1 C5 16.17(18) . . . . ?
O6 Ag1 S1 C5 -93.51(17) 3_545 . . . ?
O1 Ag1 S1 C4 42.0(2) . . . . ?
N1 Ag1 S1 C4 -95.06(18) . . . . ?
O6 Ag1 S1 C4 155.26(17) 3_545 . . . ?
O1 Ag1 S1 Ag3 -86.34(19) . . . 1_545 ?
N1 Ag1 S1 Ag3 136.60(10) . . . 1_545 ?
O6 Ag1 S1 Ag3 26.92(9) 3_545 . . 1_545 ?
C13 C14 S2 C15 143.8(3) . . . . ?
C13 C14 S2 Ag2 -104.9(3) . . . . ?
C13 C14 S2 Ag3 28.6(3) . . . . ?
C16 C15 S2 C14 -63.0(4) . . . . ?
C18 C15 S2 C14 59.8(3) . . . . ?
C17 C15 S2 C14 177.7(3) . . . . ?
C16 C15 S2 Ag2 -174.4(3) . . . . ?
C18 C15 S2 Ag2 -51.7(3) . . . . ?
C17 C15 S2 Ag2 66.2(3) . . . . ?
C16 C15 S2 Ag3 46.6(4) . . . . ?
C18 C15 S2 Ag3 169.3(3) . . . . ?
C17 C15 S2 Ag3 -72.8(3) . . . . ?
O4 Ag2 S2 C14 71.79(18) . . . . ?
O3 Ag2 S2 C14 -160.80(18) 4_464 . . . ?
O4 Ag2 S2 C15 -177.57(18) . . . . ?
O3 Ag2 S2 C15 -50.16(18) 4_464 . . . ?
O4 Ag2 S2 Ag3 -47.04(12) . . . . ?
O3 Ag2 S2 Ag3 80.37(13) 4_464 . . . ?
N2 Ag3 S2 C14 -21.47(18) . . . . ?
S1 Ag3 S2 C14 -135.36(16) 1_565 . . . ?
O8 Ag3 S2 C14 99.3(2) . . . . ?
O7 Ag3 S2 C14 52.2(2) . . . . ?
N2 Ag3 S2 C15 -132.47(17) . . . . ?
S1 Ag3 S2 C15 113.63(15) 1_565 . . . ?
O8 Ag3 S2 C15 -11.7(2) . . . . ?
O7 Ag3 S2 C15 -58.80(19) . . . . ?
N2 Ag3 S2 Ag2 98.88(9) . . . . ?
S1 Ag3 S2 Ag2 -15.01(6) 1_565 . . . ?
O8 Ag3 S2 Ag2 -140.38(16) . . . . ?
O7 Ag3 S2 Ag2 172.55(12) . . . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        26.42
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         0.454
_refine_diff_density_min         -0.525
_refine_diff_density_rms         0.087

#===END

data_4
_database_code_depnum_ccdc_archive 'CCDC 664356'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C25 H27 Ag2 Cl2 N5 O10 S2'
_chemical_formula_weight         908.28

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'
Cl Cl 0.1484 0.1585 '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                   10.375(3)
_cell_length_b                   10.831(3)
_cell_length_c                   15.816(4)
_cell_angle_alpha                72.764(4)
_cell_angle_beta                 77.914(4)
_cell_angle_gamma                84.734(5)
_cell_volume                     1659.0(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    294(2)
_cell_measurement_reflns_used    2153
_cell_measurement_theta_min      2.21
_cell_measurement_theta_max      25.74

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_exptl_crystal_density_meas      NONE
_exptl_crystal_density_diffrn    1.818
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             904
_exptl_absorpt_coefficient_mu    1.527
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7499
_exptl_absorpt_correction_T_max  0.7922
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      294(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 0
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            8383
_diffrn_reflns_av_R_equivalents  0.0416
_diffrn_reflns_av_sigmaI/netI    0.1095
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.37
_diffrn_reflns_theta_max         25.01
_reflns_number_total             5780
_reflns_number_gt                3125
_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 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. In the data, there are 28
restrains including 4 operations of DFIX and 24 operations of ISOR, which
are used to refine the disordered C and O atoms of DMF molecule.
;

_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)+(0.0560P)²+5.3871P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5780
_refine_ls_number_parameters     436
_refine_ls_number_restraints     28
_refine_ls_R_factor_all          0.1354
_refine_ls_R_factor_gt           0.0580
_refine_ls_wR_factor_ref         0.1601
_refine_ls_wR_factor_gt          0.1224
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_restrained_S_all      1.032
_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 0.99447(7) 0.49079(9) 0.90773(5) 0.0493(3) Uani 1 1 d . . .
Ag2 Ag 0.59970(9) 0.42269(8) 0.57532(6) 0.0543(3) Uani 1 1 d . . .
C1 C 0.7258(8) 0.3706(10) 1.1230(6) 0.037(2) Uani 1 1 d . A .
C2 C 0.6901(10) 0.2497(10) 1.1793(7) 0.049(3) Uani 1 1 d . . .
H2 H 0.7103 0.2231 1.2368 0.058 Uiso 1 1 calc R . .
C3 C 0.6260(11) 0.1693(11) 1.1520(8) 0.062(3) Uani 1 1 d . . .
H3 H 0.6011 0.0888 1.1912 0.074 Uiso 1 1 calc R . .
C4 C 0.5976(12) 0.2054(11) 1.0672(8) 0.061(3) Uani 1 1 d . . .
H4 H 0.5521 0.1504 1.0494 0.073 Uiso 1 1 calc R . .
C5 C 0.6368(9) 0.3241(11) 1.0078(7) 0.046(3) Uani 1 1 d . A .
H5 H 0.6197 0.3471 0.9497 0.056 Uiso 1 1 calc R . .
C6 C 0.7010(8) 0.4088(9) 1.0341(6) 0.034(2) Uani 1 1 d . . .
C7 C 0.6938(9) 0.5862(10) 0.8653(6) 0.040(2) Uani 1 1 d . . .
H7A H 0.6026 0.5608 0.8843 0.048 Uiso 1 1 calc R A .
H7B H 0.6931 0.6784 0.8355 0.048 Uiso 1 1 calc R . .
C8 C 0.7598(8) 0.5184(9) 0.7955(6) 0.029(2) Uani 1 1 d . A .
C9 C 0.9326(9) 0.4053(9) 0.7333(6) 0.035(2) Uani 1 1 d . . .
C10 C 1.0590(10) 0.3443(11) 0.7341(8) 0.058(3) Uani 1 1 d . A .
H10 H 1.1009 0.3362 0.7822 0.070 Uiso 1 1 calc R . .
C11 C 1.1193(11) 0.2973(13) 0.6640(9) 0.077(4) Uani 1 1 d . . .
H11 H 1.2021 0.2564 0.6647 0.092 Uiso 1 1 calc R A .
C12 C 1.0569(12) 0.3104(14) 0.5911(8) 0.081(4) Uani 1 1 d . A .
H12 H 1.1000 0.2792 0.5434 0.097 Uiso 1 1 calc R . .
C13 C 0.9350(11) 0.3676(11) 0.5885(8) 0.062(3) Uani 1 1 d . . .
H13 H 0.8940 0.3738 0.5404 0.074 Uiso 1 1 calc R A .
C14 C 0.8724(9) 0.4171(9) 0.6594(6) 0.038(2) Uani 1 1 d . A .
C15 C 0.6943(8) 0.5254(8) 0.7220(6) 0.028(2) Uani 1 1 d . . .
C16 C 0.5598(8) 0.5907(10) 0.7223(5) 0.038(2) Uani 1 1 d . A .
H16A H 0.5665 0.6771 0.7270 0.045 Uiso 1 1 calc R . .
H16B H 0.5014 0.5440 0.7766 0.045 Uiso 1 1 calc R . .
C17 C 0.5509(9) 0.7453(9) 0.5488(6) 0.033(2) Uani 1 1 d . A .
C18 C 0.4853(9) 0.8045(9) 0.4790(6) 0.036(2) Uani 1 1 d . . .
C19 C 0.5351(11) 0.9125(10) 0.4109(7) 0.053(3) Uani 1 1 d . . .
H19 H 0.4919 0.9502 0.3631 0.063 Uiso 1 1 calc R . .
C20 C 0.6510(12) 0.9635(11) 0.4157(7) 0.056(3) Uani 1 1 d . . .
H20 H 0.6863 1.0351 0.3702 0.068 Uiso 1 1 calc R . .
C21 C 0.7119(10) 0.9106(10) 0.4850(7) 0.051(3) Uani 1 1 d . . .
H21 H 0.7872 0.9479 0.4885 0.062 Uiso 1 1 calc R . .
C22 C 0.6643(9) 0.8004(10) 0.5521(6) 0.041(2) Uani 1 1 d . . .
H22 H 0.7088 0.7636 0.5993 0.050 Uiso 1 1 calc R . .
C23 C 1.099(2) 0.1845(17) 1.0020(14) 0.085(11) Uani 0.53(3) 1 d PDU A 2
H23 H 1.1772 0.1997 0.9596 0.102 Uiso 0.53(3) 1 calc PR A 2
C24 C 1.201(2) 0.006(3) 1.0705(19) 0.31(2) Uani 1 1 d . A .
H24A H 1.2560 0.0358 1.0119 0.470 Uiso 1 1 calc R . .
H24B H 1.1887 -0.0852 1.0841 0.470 Uiso 1 1 calc R . .
H24C H 1.2437 0.0212 1.1148 0.470 Uiso 1 1 calc R . .
C25 C 0.973(2) 0.010(2) 1.1407(13) 0.172(9) Uani 1 1 d . A .
H25A H 0.9554 0.0528 1.1875 0.258 Uiso 1 1 calc R . .
H25B H 0.9984 -0.0786 1.1655 0.258 Uiso 1 1 calc R . .
H25C H 0.8958 0.0149 1.1157 0.258 Uiso 1 1 calc R . .
C23' C 1.007(2) 0.179(2) 1.0297(17) 0.086(12) Uani 0.47(3) 1 d PDU A 1
H23' H 0.9171 0.1848 1.0532 0.103 Uiso 0.47(3) 1 calc PR A 1
Cl1 Cl 0.9716(3) 0.2283(3) 0.3430(2) 0.0699(9) Uani 1 1 d . . .
Cl2 Cl 0.5416(4) 0.7676(3) 0.1854(2) 0.0668(9) Uani 1 1 d . . .
N1 N 0.8741(7) 0.4568(7) 0.8008(5) 0.0350(19) Uani 1 1 d . A .
N2 N 0.7505(7) 0.4751(7) 0.6564(5) 0.0351(19) Uani 1 1 d . A .
N3 N 0.7915(7) 0.4569(8) 1.1523(5) 0.040(2) Uani 1 1 d . . .
H3A H 0.7861 0.4232 1.2122 0.048 Uiso 1 1 calc R A .
H3B H 0.7436 0.5316 1.1441 0.048 Uiso 1 1 calc R . .
N4 N 0.3658(8) 0.7501(8) 0.4748(5) 0.048(2) Uani 1 1 d . . .
H4A H 0.3210 0.8108 0.4385 0.058 Uiso 1 1 calc R . .
H4B H 0.3150 0.7285 0.5303 0.058 Uiso 1 1 calc R . .
N5 N 1.0783(12) 0.0727(10) 1.0716(8) 0.077(3) Uani 1 1 d D . .
O1 O 1.006(2) 0.262(2) 1.0006(17) 0.078(8) Uani 0.53(3) 1 d PDU A 2
O2 O 1.0612(11) 0.2818(12) 0.3703(8) 0.147(5) Uani 1 1 d . . .
O3 O 0.9629(14) 0.0969(12) 0.3829(12) 0.219(9) Uani 1 1 d . . .
O4 O 1.0254(14) 0.2509(12) 0.2481(9) 0.153(5) Uani 1 1 d . . .
O5 O 0.8505(10) 0.2929(14) 0.3470(8) 0.152(6) Uani 1 1 d . . .
O6 O 0.572(2) 0.707(2) 0.2648(12) 0.274(12) Uani 1 1 d . . .
O7 O 0.579(2) 0.8785(12) 0.1453(11) 0.293(14) Uani 1 1 d . . .
O8 O 0.5680(14) 0.6794(11) 0.1363(8) 0.142(5) Uani 1 1 d . . .
O9 O 0.4098(18) 0.7652(17) 0.2192(17) 0.277(13) Uani 1 1 d . . .
O1' O 1.053(2) 0.265(2) 0.9640(14) 0.070(8) Uani 0.47(3) 1 d PDU A 1
O1W O 0.2273(15) 0.9489(14) 0.3383(11) 0.191(7) Uani 1 1 d . . .
S1 S 0.7614(2) 0.5603(2) 0.96503(15) 0.0373(6) Uani 1 1 d . A .
S2 S 0.4819(2) 0.6052(2) 0.62864(16) 0.0385(6) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N3 2.276(7) 2_767 ?
Ag1 O1' 2.41(2) . ?
Ag1 N1 2.428(7) . ?
Ag1 O1 2.48(2) . ?
Ag1 S1 2.527(3) . ?
Ag1 Ag1 3.0102(17) 2_767 ?
Ag2 N4 2.213(8) 2_666 ?
Ag2 N2 2.419(7) . ?
Ag2 S2 2.495(3) . ?
C1 C2 1.380(13) . ?
C1 C6 1.414(12) . ?
C1 N3 1.434(11) . ?
C2 C3 1.356(15) . ?
C2 H2 0.9300 . ?
C3 C4 1.368(15) . ?
C3 H3 0.9300 . ?
C4 C5 1.385(14) . ?
C4 H4 0.9300 . ?
C5 C6 1.383(12) . ?
C5 H5 0.9300 . ?
C6 S1 1.766(9) . ?
C7 C8 1.515(12) . ?
C7 S1 1.796(8) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 N1 1.313(11) . ?
C8 C15 1.445(11) . ?
C9 N1 1.355(11) . ?
C9 C14 1.406(12) . ?
C9 C10 1.414(13) . ?
C10 C11 1.366(15) . ?
C10 H10 0.9300 . ?
C11 C12 1.403(16) . ?
C11 H11 0.9300 . ?
C12 C13 1.360(15) . ?
C12 H12 0.9300 . ?
C13 C14 1.397(13) . ?
C13 H13 0.9300 . ?
C14 N2 1.363(11) . ?
C15 N2 1.318(11) . ?
C15 C16 1.505(12) . ?
C16 S2 1.792(8) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 C18 1.382(12) . ?
C17 C22 1.384(12) . ?
C17 S2 1.759(9) . ?
C18 C19 1.387(13) . ?
C18 N4 1.443(11) . ?
C19 C20 1.394(15) . ?
C19 H19 0.9300 . ?
C20 C21 1.333(14) . ?
C20 H20 0.9300 . ?
C21 C22 1.390(13) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C23 O1 1.216(10) . ?
C23 N5 1.373(10) . ?
C23 H23 0.9300 . ?
C24 N5 1.41(2) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 N5 1.426(19) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C23' O1' 1.215(10) . ?
C23' N5 1.383(10) . ?
C23' H23' 0.9300 . ?
Cl1 O2 1.342(10) . ?
Cl1 O3 1.379(11) . ?
Cl1 O5 1.380(11) . ?
Cl1 O4 1.442(12) . ?
Cl2 O7 1.236(10) . ?
Cl2 O6 1.323(17) . ?
Cl2 O9 1.359(16) . ?
Cl2 O8 1.376(10) . ?
N3 Ag1 2.276(7) 2_767 ?
N3 H3A 0.9000 . ?
N3 H3B 0.9000 . ?
N4 Ag2 2.213(8) 2_666 ?
N4 H4A 0.9000 . ?
N4 H4B 0.9000 . ?

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 O1' 92.3(6) 2_767 . ?
N3 Ag1 N1 113.9(3) 2_767 . ?
O1' Ag1 N1 94.1(6) . . ?
N3 Ag1 O1 104.5(5) 2_767 . ?
O1' Ag1 O1 15.5(7) . . ?
N1 Ag1 O1 97.6(6) . . ?
N3 Ag1 S1 149.0(2) 2_767 . ?
O1' Ag1 S1 116.4(5) . . ?
N1 Ag1 S1 77.32(19) . . ?
O1 Ag1 S1 102.3(5) . . ?
N3 Ag1 Ag1 94.91(18) 2_767 2_767 ?
O1' Ag1 Ag1 86.1(6) . 2_767 ?
N1 Ag1 Ag1 151.18(19) . 2_767 ?
O1 Ag1 Ag1 75.8(6) . 2_767 ?
S1 Ag1 Ag1 76.85(6) . 2_767 ?
N4 Ag2 N2 121.3(3) 2_666 . ?
N4 Ag2 S2 160.3(2) 2_666 . ?
N2 Ag2 S2 77.0(2) . . ?
C2 C1 C6 119.7(9) . . ?
C2 C1 N3 120.9(8) . . ?
C6 C1 N3 119.4(8) . . ?
C3 C2 C1 120.8(10) . . ?
C3 C2 H2 119.6 . . ?
C1 C2 H2 119.6 . . ?
C2 C3 C4 120.6(11) . . ?
C2 C3 H3 119.7 . . ?
C4 C3 H3 119.7 . . ?
C3 C4 C5 119.9(10) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C6 C5 C4 120.8(9) . . ?
C6 C5 H5 119.6 . . ?
C4 C5 H5 119.6 . . ?
C5 C6 C1 118.2(9) . . ?
C5 C6 S1 125.8(7) . . ?
C1 C6 S1 116.0(7) . . ?
C8 C7 S1 118.7(6) . . ?
C8 C7 H7A 107.6 . . ?
S1 C7 H7A 107.6 . . ?
C8 C7 H7B 107.6 . . ?
S1 C7 H7B 107.6 . . ?
H7A C7 H7B 107.1 . . ?
N1 C8 C15 120.8(8) . . ?
N1 C8 C7 121.1(7) . . ?
C15 C8 C7 118.1(8) . . ?
N1 C9 C14 121.0(8) . . ?
N1 C9 C10 120.1(9) . . ?
C14 C9 C10 118.8(9) . . ?
C11 C10 C9 119.6(10) . . ?
C11 C10 H10 120.2 . . ?
C9 C10 H10 120.2 . . ?
C10 C11 C12 120.3(10) . . ?
C10 C11 H11 119.8 . . ?
C12 C11 H11 119.8 . . ?
C13 C12 C11 121.6(11) . . ?
C13 C12 H12 119.2 . . ?
C11 C12 H12 119.2 . . ?
C12 C13 C14 118.8(10) . . ?
C12 C13 H13 120.6 . . ?
C14 C13 H13 120.6 . . ?
N2 C14 C13 118.8(9) . . ?
N2 C14 C9 120.4(8) . . ?
C13 C14 C9 120.8(9) . . ?
N2 C15 C8 120.8(8) . . ?
N2 C15 C16 120.6(8) . . ?
C8 C15 C16 118.5(8) . . ?
C15 C16 S2 118.4(7) . . ?
C15 C16 H16A 107.7 . . ?
S2 C16 H16A 107.7 . . ?
C15 C16 H16B 107.7 . . ?
S2 C16 H16B 107.7 . . ?
H16A C16 H16B 107.1 . . ?
C18 C17 C22 118.3(9) . . ?
C18 C17 S2 117.1(7) . . ?
C22 C17 S2 124.6(7) . . ?
C17 C18 C19 121.2(9) . . ?
C17 C18 N4 119.4(8) . . ?
C19 C18 N4 119.4(8) . . ?
C18 C19 C20 118.6(9) . . ?
C18 C19 H19 120.7 . . ?
C20 C19 H19 120.7 . . ?
C21 C20 C19 120.7(10) . . ?
C21 C20 H20 119.7 . . ?
C19 C20 H20 119.7 . . ?
C20 C21 C22 120.8(10) . . ?
C20 C21 H21 119.6 . . ?
C22 C21 H21 119.6 . . ?
C17 C22 C21 120.3(9) . . ?
C17 C22 H22 119.9 . . ?
C21 C22 H22 119.9 . . ?
O1 C23 N5 114(2) . . ?
O1 C23 H23 122.9 . . ?
N5 C23 H23 122.9 . . ?
N5 C24 H24A 109.5 . . ?
N5 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
N5 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N5 C25 H25A 109.5 . . ?
N5 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
N5 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
O1' C23' N5 124(2) . . ?
O1' C23' H23' 117.8 . . ?
N5 C23' H23' 117.8 . . ?
O2 Cl1 O3 112.9(9) . . ?
O2 Cl1 O5 113.6(9) . . ?
O3 Cl1 O5 113.1(8) . . ?
O2 Cl1 O4 102.1(8) . . ?
O3 Cl1 O4 108.8(10) . . ?
O5 Cl1 O4 105.2(8) . . ?
O7 Cl2 O6 120.1(14) . . ?
O7 Cl2 O9 112.0(13) . . ?
O6 Cl2 O9 93.2(13) . . ?
O7 Cl2 O8 116.2(9) . . ?
O6 Cl2 O8 105.7(13) . . ?
O9 Cl2 O8 106.7(12) . . ?
C8 N1 C9 118.5(7) . . ?
C8 N1 Ag1 117.2(6) . . ?
C9 N1 Ag1 122.2(6) . . ?
C15 N2 C14 118.3(8) . . ?
C15 N2 Ag2 114.8(6) . . ?
C14 N2 Ag2 122.7(6) . . ?
C1 N3 Ag1 121.9(6) . 2_767 ?
C1 N3 H3A 106.9 . . ?
Ag1 N3 H3A 106.9 2_767 . ?
C1 N3 H3B 106.9 . . ?
Ag1 N3 H3B 106.9 2_767 . ?
H3A N3 H3B 106.7 . . ?
C18 N4 Ag2 113.7(6) . 2_666 ?
C18 N4 H4A 108.8 . . ?
Ag2 N4 H4A 108.8 2_666 . ?
C18 N4 H4B 108.8 . . ?
Ag2 N4 H4B 108.8 2_666 . ?
H4A N4 H4B 107.7 . . ?
C23 N5 C23' 41.1(14) . . ?
C23 N5 C24 105.6(19) . . ?
C23' N5 C24 146(2) . . ?
C23 N5 C25 139.0(17) . . ?
C23' N5 C25 98.0(15) . . ?
C24 N5 C25 115.4(18) . . ?
C23 O1 Ag1 129.4(17) . . ?
C23' O1' Ag1 133(2) . . ?
C6 S1 C7 103.7(4) . . ?
C6 S1 Ag1 99.3(3) . . ?
C7 S1 Ag1 99.6(3) . . ?
C17 S2 C16 102.7(4) . . ?
C17 S2 Ag2 104.6(3) . . ?
C16 S2 Ag2 99.1(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
C6 C1 C2 C3 -3.1(15) . . . . ?
N3 C1 C2 C3 178.9(10) . . . . ?
C1 C2 C3 C4 1.3(17) . . . . ?
C2 C3 C4 C5 1.3(18) . . . . ?
C3 C4 C5 C6 -2.0(17) . . . . ?
C4 C5 C6 C1 0.2(14) . . . . ?
C4 C5 C6 S1 177.7(8) . . . . ?
C2 C1 C6 C5 2.4(14) . . . . ?
N3 C1 C6 C5 -179.6(8) . . . . ?
C2 C1 C6 S1 -175.5(7) . . . . ?
N3 C1 C6 S1 2.6(11) . . . . ?
S1 C7 C8 N1 -9.5(12) . . . . ?
S1 C7 C8 C15 171.6(7) . . . . ?
N1 C9 C10 C11 -177.4(11) . . . . ?
C14 C9 C10 C11 -0.6(16) . . . . ?
C9 C10 C11 C12 1(2) . . . . ?
C10 C11 C12 C13 -1(2) . . . . ?
C11 C12 C13 C14 2(2) . . . . ?
C12 C13 C14 N2 179.6(11) . . . . ?
C12 C13 C14 C9 -1.5(17) . . . . ?
N1 C9 C14 N2 -3.3(14) . . . . ?
C10 C9 C14 N2 179.9(9) . . . . ?
N1 C9 C14 C13 177.8(9) . . . . ?
C10 C9 C14 C13 1.0(15) . . . . ?
N1 C8 C15 N2 -3.0(13) . . . . ?
C7 C8 C15 N2 175.9(8) . . . . ?
N1 C8 C15 C16 176.5(8) . . . . ?
C7 C8 C15 C16 -4.6(12) . . . . ?
N2 C15 C16 S2 -3.0(12) . . . . ?
C8 C15 C16 S2 177.4(6) . . . . ?
C22 C17 C18 C19 3.4(14) . . . . ?
S2 C17 C18 C19 -177.4(8) . . . . ?
C22 C17 C18 N4 -179.1(8) . . . . ?
S2 C17 C18 N4 0.1(12) . . . . ?
C17 C18 C19 C20 -2.1(15) . . . . ?
N4 C18 C19 C20 -179.6(9) . . . . ?
C18 C19 C20 C21 -0.9(17) . . . . ?
C19 C20 C21 C22 2.6(17) . . . . ?
C18 C17 C22 C21 -1.7(14) . . . . ?
S2 C17 C22 C21 179.2(8) . . . . ?
C20 C21 C22 C17 -1.3(16) . . . . ?
C15 C8 N1 C9 3.2(13) . . . . ?
C7 C8 N1 C9 -175.7(8) . . . . ?
C15 C8 N1 Ag1 167.2(6) . . . . ?
C7 C8 N1 Ag1 -11.7(11) . . . . ?
C14 C9 N1 C8 -0.2(13) . . . . ?
C10 C9 N1 C8 176.6(9) . . . . ?
C14 C9 N1 Ag1 -163.3(7) . . . . ?
C10 C9 N1 Ag1 13.5(12) . . . . ?
N3 Ag1 N1 C8 -129.8(6) 2_767 . . . ?
O1' Ag1 N1 C8 135.8(8) . . . . ?
O1 Ag1 N1 C8 120.6(8) . . . . ?
S1 Ag1 N1 C8 19.7(6) . . . . ?
Ag1 Ag1 N1 C8 46.4(8) 2_767 . . . ?
N3 Ag1 N1 C9 33.6(8) 2_767 . . . ?
O1' Ag1 N1 C9 -60.8(9) . . . . ?
O1 Ag1 N1 C9 -76.0(8) . . . . ?
S1 Ag1 N1 C9 -177.0(7) . . . . ?
Ag1 Ag1 N1 C9 -150.2(5) 2_767 . . . ?
C8 C15 N2 C14 -0.4(13) . . . . ?
C16 C15 N2 C14 -180.0(8) . . . . ?
C8 C15 N2 Ag2 157.3(6) . . . . ?
C16 C15 N2 Ag2 -22.2(10) . . . . ?
C13 C14 N2 C15 -177.7(9) . . . . ?
C9 C14 N2 C15 3.4(13) . . . . ?
C13 C14 N2 Ag2 26.4(12) . . . . ?
C9 C14 N2 Ag2 -152.5(7) . . . . ?
N4 Ag2 N2 C15 -143.8(6) 2_666 . . . ?
S2 Ag2 N2 C15 28.2(6) . . . . ?
N4 Ag2 N2 C14 12.8(8) 2_666 . . . ?
S2 Ag2 N2 C14 -175.2(7) . . . . ?
C2 C1 N3 Ag1 111.4(9) . . . 2_767 ?
C6 C1 N3 Ag1 -66.6(10) . . . 2_767 ?
C17 C18 N4 Ag2 -77.2(9) . . . 2_666 ?
C19 C18 N4 Ag2 100.4(9) . . . 2_666 ?
O1 C23 N5 C23' 13(3) . . . . ?
O1 C23 N5 C24 -171(2) . . . . ?
O1 C23 N5 C25 8(4) . . . . ?
O1' C23' N5 C23 3(3) . . . . ?
O1' C23' N5 C24 -4(6) . . . . ?
O1' C23' N5 C25 -180(3) . . . . ?
N5 C23 O1 Ag1 170.0(15) . . . . ?
N3 Ag1 O1 C23 -13(3) 2_767 . . . ?
O1' Ag1 O1 C23 26(3) . . . . ?
N1 Ag1 O1 C23 104(3) . . . . ?
S1 Ag1 O1 C23 -177(3) . . . . ?
Ag1 Ag1 O1 C23 -105(3) 2_767 . . . ?
N5 C23' O1' Ag1 -152(2) . . . . ?
N3 Ag1 O1' C23' 148(3) 2_767 . . . ?
N1 Ag1 O1' C23' -98(3) . . . . ?
O1 Ag1 O1' C23' 6(3) . . . . ?
S1 Ag1 O1' C23' -20(3) . . . . ?
Ag1 Ag1 O1' C23' 53(3) 2_767 . . . ?
C5 C6 S1 C7 10.0(9) . . . . ?
C1 C6 S1 C7 -172.4(7) . . . . ?
C5 C6 S1 Ag1 -92.4(8) . . . . ?
C1 C6 S1 Ag1 85.3(7) . . . . ?
C8 C7 S1 C6 -79.6(8) . . . . ?
C8 C7 S1 Ag1 22.6(8) . . . . ?
N3 Ag1 S1 C6 -157.8(4) 2_767 . . . ?
O1' Ag1 S1 C6 -1.6(7) . . . . ?
N1 Ag1 S1 C6 86.7(3) . . . . ?
O1 Ag1 S1 C6 -8.4(6) . . . . ?
Ag1 Ag1 S1 C6 -80.4(3) 2_767 . . . ?
N3 Ag1 S1 C7 96.5(5) 2_767 . . . ?
O1' Ag1 S1 C7 -107.3(7) . . . . ?
N1 Ag1 S1 C7 -19.0(4) . . . . ?
O1 Ag1 S1 C7 -114.1(7) . . . . ?
Ag1 Ag1 S1 C7 173.9(3) 2_767 . . . ?
C18 C17 S2 C16 -162.0(7) . . . . ?
C22 C17 S2 C16 17.1(9) . . . . ?
C18 C17 S2 Ag2 94.9(7) . . . . ?
C22 C17 S2 Ag2 -86.0(8) . . . . ?
C15 C16 S2 C17 -83.7(8) . . . . ?
C15 C16 S2 Ag2 23.7(7) . . . . ?
N4 Ag2 S2 C17 -118.1(7) 2_666 . . . ?
N2 Ag2 S2 C17 82.6(3) . . . . ?
N4 Ag2 S2 C16 136.1(7) 2_666 . . . ?
N2 Ag2 S2 C16 -23.3(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.989
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.989
_refine_diff_density_max         0.842
_refine_diff_density_min         -0.947
_refine_diff_density_rms         0.127

#===END


