# Supplementary Material (ESI) for Dalton Transactions
# This journal is (c) The Royal Society of Chemistry 2009

data_global
_journal_name_full               'Dalton Trans.'

_journal_coden_Cambridge         0222

_publ_contact_author_name        'Shan Gao'
_publ_contact_author_address     
;
Key Laboratory of Functional Inorganic Material Chemistry,
Ministry of Education, Heilongjiang University,
Harbin
150080
China
;

_publ_contact_author_email       shangao67@yahoo.com

_publ_section_title              
;
A series of New Silver(I) Pyridone-sulfonates with 1-D "Butterfly"
Chain, 2-D Lamellar Network versus 3-D Pillared Layered
Framework: Syntheses, Structures and Characterizations
;
loop_
_publ_author_name
'Zhao-Peng Deng'
'Zhi-Biao Zhu'
'Shan Gao'
'Li-Hua Huo'
'Hui Zhao'
;
Seik Weng Ng
;

#===END

data_complex4
_database_code_depnum_ccdc_archive 'CCDC 699612'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C10 H10 Ag3 N3 O12 S2'
_chemical_formula_sum            'C10 H10 Ag3 N3 O12 S2'
_chemical_formula_weight         751.94

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   'P c'
_symmetry_space_group_name_Hall  'P -2yc'

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

_cell_length_a                   11.8808(12)
_cell_length_b                   5.3522(3)
_cell_length_c                   17.1234(12)
_cell_angle_alpha                90.00
_cell_angle_beta                 125.214(3)
_cell_angle_gamma                90.00
_cell_volume                     889.59(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    295(2)
_cell_measurement_reflns_used    7691
_cell_measurement_theta_min      3.17
_cell_measurement_theta_max      27.48

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.807
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             720
_exptl_absorpt_coefficient_mu    3.578
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.425
_exptl_absorpt_correction_T_max  0.591
_exptl_absorpt_process_details   'ABSCOR (Higashi, 1995)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      295(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       '\w scan'
_diffrn_detector_area_resol_mean 10.000
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            8079
_diffrn_reflns_av_R_equivalents  0.0258
_diffrn_reflns_av_sigmaI/netI    0.0345
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         3.46
_diffrn_reflns_theta_max         27.48
_reflns_number_total             3921
_reflns_number_gt                3698
_reflns_threshold_expression     I>2\s(I)

_computing_data_collection       'RAPID-AUTO (Rigaku Corporation, 1998)'
_computing_cell_refinement       RAPID-AUTO
_computing_data_reduction        
'CrystalStructure (Rigaku/MSC and Rigaku Corporation, 2002)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'ORTEP-II (Johnson, 1976)'
_computing_publication_material  SHELXL-97

_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^)+(0.0301P)^2^+1.0931P] 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   0.45(3)
_refine_ls_number_reflns         3921
_refine_ls_number_parameters     278
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.0310
_refine_ls_R_factor_gt           0.0272
_refine_ls_wR_factor_ref         0.0699
_refine_ls_wR_factor_gt          0.0619
_refine_ls_goodness_of_fit_ref   1.108
_refine_ls_restrained_S_all      1.107
_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 0.49989(5) 0.88380(8) 0.49997(3) 0.03588(10) Uani 1 1 d . . .
Ag2 Ag 0.34752(6) 1.25484(8) 0.58135(4) 0.05239(17) Uani 1 1 d . . .
Ag3 Ag 0.23010(4) 0.76967(10) 0.66038(3) 0.04440(13) Uani 1 1 d . . .
S1 S 0.15587(11) 0.7230(2) 0.44094(8) 0.0211(2) Uani 1 1 d . . .
S2 S 0.55573(12) 0.7731(2) 0.71672(8) 0.0237(3) Uani 1 1 d . . .
O1 O 0.2713(4) 0.8932(7) 0.4754(3) 0.0323(8) Uani 1 1 d . . .
O2 O 0.0923(5) 0.7536(8) 0.4919(3) 0.0369(10) Uani 1 1 d . . .
O3 O 0.1888(4) 0.4658(7) 0.4366(3) 0.0327(9) Uani 1 1 d . . .
O4 O -0.2641(4) 1.0489(7) 0.0528(2) 0.0295(8) Uani 1 1 d . . .
O5 O 0.6107(5) 0.7310(9) 0.6616(3) 0.0429(11) Uani 1 1 d . . .
O6 O 0.5234(4) 1.0326(7) 0.7193(3) 0.0418(10) Uani 1 1 d . . .
O7 O 0.4415(4) 0.6081(7) 0.6904(3) 0.0350(9) Uani 1 1 d . . .
O8 O 0.9950(3) 0.4928(8) 1.1079(2) 0.0306(8) Uani 1 1 d . . .
O9 O 0.4807(4) 1.3466(8) 0.4783(3) 0.0415(10) Uani 1 1 d . . .
O10 O 0.3938(5) 1.6114(8) 0.3630(3) 0.0420(10) Uani 1 1 d . . .
O11 O 0.3419(5) 1.2182(8) 0.3336(3) 0.0469(12) Uani 1 1 d . . .
O1W O 0.2222(4) 1.2133(9) 0.6769(3) 0.0425(11) Uani 1 1 d D . .
H1W1 H 0.140(3) 1.250(14) 0.656(6) 0.064 Uiso 1 1 d D . .
H1W2 H 0.278(7) 1.279(14) 0.731(3) 0.064 Uiso 1 1 d D . .
N1 N -0.0531(4) 1.0841(8) 0.1931(3) 0.0256(9) Uani 1 1 d . . .
H1N H -0.0376 1.2116 0.1700 0.031 Uiso 1 1 calc R . .
N2 N 0.7819(4) 0.4335(7) 0.9691(3) 0.0247(8) Uani 1 1 d . . .
H2N H 0.7710 0.3073 0.9952 0.030 Uiso 1 1 calc R . .
N3 N 0.4049(4) 1.3902(8) 0.3914(3) 0.0266(9) Uani 1 1 d . . .
C1 C 0.0284(5) 0.8114(9) 0.3225(3) 0.0223(10) Uani 1 1 d . . .
C2 C -0.0979(5) 0.6790(9) 0.2678(3) 0.0240(10) Uani 1 1 d . . .
H2 H -0.1122 0.5401 0.2937 0.029 Uiso 1 1 calc R . .
C3 C -0.1981(5) 0.7549(9) 0.1777(4) 0.0271(11) Uani 1 1 d . . .
H3 H -0.2808 0.6675 0.1425 0.033 Uiso 1 1 calc R . .
C4 C -0.1783(5) 0.9662(9) 0.1363(3) 0.0215(9) Uani 1 1 d . . .
C5 C 0.0479(5) 1.0110(9) 0.2837(3) 0.0230(9) Uani 1 1 d . . .
H5 H 0.1304 1.0990 0.3189 0.028 Uiso 1 1 calc R . .
C6 C 0.6900(5) 0.6939(9) 0.8356(3) 0.0223(9) Uani 1 1 d . . .
C7 C 0.8123(5) 0.8349(10) 0.8853(4) 0.0281(11) Uani 1 1 d . . .
H7 H 0.8214 0.9731 0.8564 0.034 Uiso 1 1 calc R . .
C8 C 0.9170(6) 0.7687(9) 0.9755(4) 0.0299(12) Uani 1 1 d . . .
H8 H 0.9985 0.8601 1.0076 0.036 Uiso 1 1 calc R . .
C9 C 0.9035(5) 0.5600(10) 1.0218(3) 0.0250(10) Uani 1 1 d . . .
C10 C 0.6765(5) 0.4933(9) 0.8779(3) 0.0252(10) Uani 1 1 d . . .
H10 H 0.5965 0.3978 0.8451 0.030 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 0.02979(18) 0.0398(2) 0.02923(18) 0.00106(19) 0.01193(15) -0.00111(18)
Ag2 0.0665(3) 0.0293(2) 0.02432(18) 0.00126(17) 0.0048(2) 0.0131(2)
Ag3 0.0447(3) 0.0522(3) 0.0287(2) 0.0009(2) 0.0168(2) 0.0091(2)
S1 0.0213(5) 0.0196(5) 0.0160(5) 0.0021(4) 0.0071(4) 0.0047(4)
S2 0.0242(6) 0.0220(6) 0.0166(5) 0.0042(4) 0.0069(5) 0.0047(4)
O1 0.0256(19) 0.032(2) 0.0256(19) -0.0001(16) 0.0066(15) -0.0032(15)
O2 0.036(2) 0.051(3) 0.0235(19) 0.0051(16) 0.0176(18) 0.0071(17)
O3 0.042(2) 0.0154(16) 0.0270(18) 0.0039(14) 0.0120(17) 0.0053(15)
O4 0.0220(17) 0.037(2) 0.0210(16) 0.0113(16) 0.0076(14) 0.0017(15)
O5 0.044(2) 0.058(3) 0.024(2) 0.0121(19) 0.0174(19) 0.014(2)
O6 0.047(2) 0.0192(19) 0.0267(18) 0.0016(16) 0.0024(17) 0.0096(16)
O7 0.0293(19) 0.027(2) 0.0287(18) 0.0015(16) 0.0053(15) -0.0046(15)
O8 0.0258(17) 0.040(2) 0.0159(14) 0.0054(15) 0.0059(13) -0.0034(15)
O9 0.034(2) 0.046(2) 0.029(2) 0.0028(19) 0.009(2) 0.0011(19)
O10 0.049(3) 0.038(2) 0.032(2) 0.0060(18) 0.019(2) -0.0021(18)
O11 0.060(3) 0.045(3) 0.031(2) -0.0136(19) 0.024(2) -0.021(2)
O1W 0.030(2) 0.048(3) 0.029(2) -0.0044(19) 0.0049(18) 0.0024(19)
N1 0.025(2) 0.024(2) 0.0206(19) 0.0089(16) 0.0084(17) -0.0013(16)
N2 0.025(2) 0.025(2) 0.0172(18) 0.0092(16) 0.0076(16) -0.0017(15)
N3 0.025(2) 0.025(2) 0.025(2) -0.0011(17) 0.0116(17) -0.0021(16)
C1 0.021(2) 0.025(2) 0.016(2) 0.0030(19) 0.0081(19) 0.0041(19)
C2 0.025(2) 0.022(2) 0.025(2) 0.006(2) 0.014(2) -0.0003(19)
C3 0.019(2) 0.033(3) 0.021(2) 0.004(2) 0.007(2) -0.0066(19)
C4 0.022(2) 0.023(2) 0.018(2) 0.0044(19) 0.0107(18) -0.0005(18)
C5 0.020(2) 0.024(2) 0.022(2) 0.0023(19) 0.0104(18) -0.0005(18)
C6 0.024(2) 0.021(2) 0.017(2) 0.0029(18) 0.0087(19) 0.0043(18)
C7 0.032(3) 0.023(2) 0.025(3) 0.004(2) 0.014(2) -0.008(2)
C8 0.028(3) 0.023(2) 0.026(3) 0.002(2) 0.008(2) -0.0093(19)
C9 0.019(2) 0.035(3) 0.018(2) 0.004(2) 0.0089(18) 0.0002(19)
C10 0.021(2) 0.029(3) 0.018(2) 0.004(2) 0.0074(18) -0.0010(19)

_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 O10 2.410(4) 1_545 ?
Ag1 O5 2.421(4) . ?
Ag1 O4 2.426(4) 2_675 ?
Ag1 O9 2.495(5) . ?
Ag1 O1 2.497(4) . ?
Ag1 O9 2.893(5) 1_545 ?
Ag1 O11 2.946(4) . ?
Ag2 O3 2.362(4) 1_565 ?
Ag2 O6 2.381(4) . ?
Ag2 O7 2.429(4) 1_565 ?
Ag2 O1 2.442(4) . ?
Ag2 O1w 2.788(6) . ?
Ag2 O9 3.013(6) . ?
Ag3 O2 2.359(4) . ?
Ag3 O1W 2.400(5) . ?
Ag3 O7 2.415(4) . ?
Ag3 O11 2.454(4) 2_575 ?
Ag3 O1W 2.998(5) 1_545 ?
Ag3 O8 2.773(4) 2_464 ?
S1 O3 1.445(4) . ?
S1 O2 1.456(4) . ?
S1 O1 1.458(4) . ?
S1 C1 1.757(5) . ?
S2 O5 1.442(4) . ?
S2 O6 1.448(4) . ?
S2 O7 1.456(4) . ?
S2 C6 1.767(5) . ?
O3 Ag2 2.362(4) 1_545 ?
O4 C4 1.263(5) . ?
O4 Ag1 2.426(4) 2_474 ?
O7 Ag2 2.429(4) 1_545 ?
O8 C9 1.280(5) . ?
O9 N3 1.239(6) . ?
O10 N3 1.258(6) . ?
O10 Ag1 2.410(4) 1_565 ?
O11 N3 1.238(6) . ?
O11 Ag3 2.454(4) 2_574 ?
O1W H1W1 0.85(7) . ?
O1W H1W2 0.84(5) . ?
N1 C5 1.362(6) . ?
N1 C4 1.374(6) . ?
N1 H1N 0.8600 . ?
N2 C10 1.362(6) . ?
N2 C9 1.363(6) . ?
N2 H2N 0.8600 . ?
C1 C5 1.346(7) . ?
C1 C2 1.418(7) . ?
C2 C3 1.358(7) . ?
C2 H2 0.9300 . ?
C3 C4 1.424(6) . ?
C3 H3 0.9300 . ?
C5 H5 0.9300 . ?
C6 C10 1.356(7) . ?
C6 C7 1.407(7) . ?
C7 C8 1.357(7) . ?
C7 H7 0.9300 . ?
C8 C9 1.431(7) . ?
C8 H8 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
O10 Ag1 O5 122.88(16) 1_545 . ?
O10 Ag1 O4 107.23(14) 1_545 2_675 ?
O5 Ag1 O4 82.75(14) . 2_675 ?
O10 Ag1 O9 120.27(13) 1_545 . ?
O5 Ag1 O9 116.63(15) . . ?
O4 Ag1 O9 83.96(14) 2_675 . ?
O10 Ag1 O1 86.59(14) 1_545 . ?
O5 Ag1 O1 91.23(14) . . ?
O4 Ag1 O1 166.07(11) 2_675 . ?
O9 Ag1 O1 87.57(13) . . ?
O1 Ag1 O9 90.02(14) . 1_545 ?
O5 Ag1 O9 76.21(14) . 1_545 ?
O9 Ag1 O9 166.92(15) . 1_545 ?
O11 Ag1 O9 121.39(13) . 1_545 ?
O4 Ag1 O9 100.61(14) 2_675 1_545 ?
O10 Ag1 O9 46.75(14) 1_545 1_545 ?
O11 Ag1 O1 78.46(15) . . ?
O11 Ag1 O5 159.12(13) . . ?
O11 Ag1 O9 45.56(14) . . ?
O11 Ag1 O4 103.05(14) . 2_675 ?
O11 Ag1 O10 75.07(13) . 1_545 ?
O3 Ag2 O6 172.90(16) 1_565 . ?
O3 Ag2 O7 99.74(12) 1_565 1_565 ?
O6 Ag2 O7 82.82(13) . 1_565 ?
O3 Ag2 O1 82.51(12) 1_565 . ?
O6 Ag2 O1 94.50(13) . . ?
O7 Ag2 O1 175.50(14) 1_565 . ?
O1W Ag2 O1 106.14(15) . . ?
O1 Ag2 O9 77.76(15) . . ?
O1W Ag2 O6 80.69(15) . . ?
O6 Ag2 O9 101.86(14) . . ?
O1W Ag2 O9 175.26(15) . . ?
O1W Ag2 O3 106.30(16) . 1_565 ?
O9 Ag2 O3 71.25(14) . 1_565 ?
O9 Ag2 O7 99.22(15) . 1_565 ?
O1W Ag2 O7 77.04(15) . 1_565 ?
O2 Ag3 O1W 97.68(15) . . ?
O2 Ag3 O7 98.65(14) . . ?
O1W Ag3 O7 115.85(15) . . ?
O2 Ag3 O11 171.67(16) . 2_575 ?
O1W Ag3 O11 82.07(15) . 2_575 ?
O7 Ag3 O11 88.89(14) . 2_575 ?
O1W Ag3 O1W 164.99(13) . 1_545 ?
O2 Ag3 O1W 92.42(13) . 1_545 ?
O7 Ag3 O1W 73.15(13) . 1_545 ?
O8 Ag3 O1W 56.35(13) 2_464 1_545 ?
O11 Ag3 O1W 86.35(14) 2_575 1_545 ?
O8 Ag3 O1W 115.97(14) 2_464 . ?
O8 Ag3 O2 74.10(14) 2_464 . ?
O8 Ag3 O7 128.09(16) 2_464 . ?
O8 Ag3 O11 98.43(14) 2_464 2_575 ?
O3 S1 O2 112.8(2) . . ?
O3 S1 O1 113.4(2) . . ?
O2 S1 O1 112.3(3) . . ?
O3 S1 C1 106.0(2) . . ?
O2 S1 C1 105.2(2) . . ?
O1 S1 C1 106.4(2) . . ?
O5 S2 O6 113.4(3) . . ?
O5 S2 O7 113.3(3) . . ?
O6 S2 O7 112.1(2) . . ?
O5 S2 C6 105.5(2) . . ?
O6 S2 C6 105.9(2) . . ?
O7 S2 C6 105.8(2) . . ?
S1 O1 Ag2 130.9(2) . . ?
S1 O1 Ag1 137.2(2) . . ?
Ag2 O1 Ag1 89.41(12) . . ?
S1 O2 Ag3 120.2(2) . . ?
S1 O3 Ag2 118.5(2) . 1_545 ?
C4 O4 Ag1 118.6(3) . 2_474 ?
S2 O5 Ag1 122.8(3) . . ?
S2 O6 Ag2 123.1(2) . . ?
S2 O7 Ag3 121.2(2) . . ?
S2 O7 Ag2 130.1(3) . 1_545 ?
Ag3 O7 Ag2 98.90(13) . 1_545 ?
N3 O9 Ag1 107.8(3) . . ?
N3 O10 Ag1 108.3(3) . 1_565 ?
N3 O11 Ag3 127.1(3) . 2_574 ?
Ag3 O1W H1W1 107(5) . . ?
Ag3 O1W H1W2 119(6) . . ?
H1W1 O1W H1W2 111(8) . . ?
C5 N1 C4 123.9(4) . . ?
C5 N1 H1N 118.0 . . ?
C4 N1 H1N 118.0 . . ?
C10 N2 C9 124.4(4) . . ?
C10 N2 H2N 117.8 . . ?
C9 N2 H2N 117.8 . . ?
O11 N3 O9 120.4(4) . . ?
O11 N3 O10 120.7(4) . . ?
O9 N3 O10 118.9(4) . . ?
C5 C1 C2 119.2(4) . . ?
C5 C1 S1 120.3(4) . . ?
C2 C1 S1 120.5(4) . . ?
C3 C2 C1 120.0(4) . . ?
C3 C2 H2 120.0 . . ?
C1 C2 H2 120.0 . . ?
C2 C3 C4 121.0(4) . . ?
C2 C3 H3 119.5 . . ?
C4 C3 H3 119.5 . . ?
O4 C4 N1 118.5(4) . . ?
O4 C4 C3 125.8(4) . . ?
N1 C4 C3 115.7(4) . . ?
C1 C5 N1 120.1(4) . . ?
C1 C5 H5 120.0 . . ?
N1 C5 H5 120.0 . . ?
C10 C6 C7 120.0(4) . . ?
C10 C6 S2 119.9(4) . . ?
C7 C6 S2 120.0(4) . . ?
C8 C7 C6 119.9(4) . . ?
C8 C7 H7 120.1 . . ?
C6 C7 H7 120.1 . . ?
C7 C8 C9 120.8(5) . . ?
C7 C8 H8 119.6 . . ?
C9 C8 H8 119.6 . . ?
O8 C9 N2 119.7(4) . . ?
O8 C9 C8 124.5(5) . . ?
N2 C9 C8 115.8(4) . . ?
C6 C10 N2 119.0(4) . . ?
C6 C10 H10 120.5 . . ?
N2 C10 H10 120.5 . . ?

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
O3 S1 O1 Ag2 -140.9(2) . . . . ?
O2 S1 O1 Ag2 -11.5(4) . . . . ?
C1 S1 O1 Ag2 103.0(3) . . . . ?
O3 S1 O1 Ag1 15.3(4) . . . . ?
O2 S1 O1 Ag1 144.6(3) . . . . ?
C1 S1 O1 Ag1 -100.9(3) . . . . ?
O3 Ag2 O1 S1 -87.3(3) 1_565 . . . ?
O6 Ag2 O1 S1 99.2(3) . . . . ?
O3 Ag2 O1 Ag1 108.70(13) 1_565 . . . ?
O6 Ag2 O1 Ag1 -64.83(15) . . . . ?
O10 Ag1 O1 S1 32.9(3) 1_545 . . . ?
O5 Ag1 O1 S1 -90.0(3) . . . . ?
O4 Ag1 O1 S1 -154.1(4) 2_675 . . . ?
O9 Ag1 O1 S1 153.4(3) . . . . ?
O10 Ag1 O1 Ag2 -164.95(13) 1_545 . . . ?
O5 Ag1 O1 Ag2 72.19(14) . . . . ?
O4 Ag1 O1 Ag2 8.1(6) 2_675 . . . ?
O9 Ag1 O1 Ag2 -44.42(12) . . . . ?
O3 S1 O2 Ag3 81.7(3) . . . . ?
O1 S1 O2 Ag3 -47.9(3) . . . . ?
C1 S1 O2 Ag3 -163.2(2) . . . . ?
O1W Ag3 O2 S1 102.4(3) . . . . ?
O7 Ag3 O2 S1 -15.3(3) . . . . ?
O2 S1 O3 Ag2 -61.7(3) . . . 1_545 ?
O1 S1 O3 Ag2 67.3(3) . . . 1_545 ?
C1 S1 O3 Ag2 -176.3(2) . . . 1_545 ?
O6 S2 O5 Ag1 -51.1(4) . . . . ?
O7 S2 O5 Ag1 78.1(3) . . . . ?
C6 S2 O5 Ag1 -166.6(3) . . . . ?
O10 Ag1 O5 S2 -111.4(3) 1_545 . . . ?
O4 Ag1 O5 S2 142.7(3) 2_675 . . . ?
O9 Ag1 O5 S2 63.2(4) . . . . ?
O1 Ag1 O5 S2 -24.7(3) . . . . ?
O5 S2 O6 Ag2 65.6(4) . . . . ?
O7 S2 O6 Ag2 -64.2(4) . . . . ?
C6 S2 O6 Ag2 -179.2(3) . . . . ?
O7 Ag2 O6 S2 -173.0(4) 1_565 . . . ?
O1 Ag2 O6 S2 3.4(3) . . . . ?
O5 S2 O7 Ag3 -131.5(3) . . . . ?
O6 S2 O7 Ag3 -1.6(3) . . . . ?
C6 S2 O7 Ag3 113.4(2) . . . . ?
O5 S2 O7 Ag2 6.7(4) . . . 1_545 ?
O6 S2 O7 Ag2 136.6(3) . . . 1_545 ?
C6 S2 O7 Ag2 -108.4(3) . . . 1_545 ?
O2 Ag3 O7 S2 102.9(3) . . . . ?
O1W Ag3 O7 S2 0.0(3) . . . . ?
O11 Ag3 O7 S2 -80.6(3) 2_575 . . . ?
O2 Ag3 O7 Ag2 -45.98(16) . . . 1_545 ?
O1W Ag3 O7 Ag2 -148.92(14) . . . 1_545 ?
O11 Ag3 O7 Ag2 130.45(16) 2_575 . . 1_545 ?
O10 Ag1 O9 N3 4.3(4) 1_545 . . . ?
O5 Ag1 O9 N3 -170.5(3) . . . . ?
O4 Ag1 O9 N3 110.7(4) 2_675 . . . ?
O1 Ag1 O9 N3 -80.3(4) . . . . ?
Ag3 O11 N3 O9 -164.8(4) 2_574 . . . ?
Ag3 O11 N3 O10 14.9(7) 2_574 . . . ?
Ag1 O9 N3 O11 8.2(6) . . . . ?
Ag1 O9 N3 O10 -171.5(4) . . . . ?
Ag1 O10 N3 O11 169.8(4) 1_565 . . . ?
Ag1 O10 N3 O9 -10.6(6) 1_565 . . . ?
O3 S1 C1 C5 -123.9(4) . . . . ?
O2 S1 C1 C5 116.4(4) . . . . ?
O1 S1 C1 C5 -2.9(5) . . . . ?
O3 S1 C1 C2 58.3(5) . . . . ?
O2 S1 C1 C2 -61.4(5) . . . . ?
O1 S1 C1 C2 179.3(4) . . . . ?
C5 C1 C2 C3 -0.5(8) . . . . ?
S1 C1 C2 C3 177.3(4) . . . . ?
C1 C2 C3 C4 0.4(8) . . . . ?
Ag1 O4 C4 N1 -131.8(4) 2_474 . . . ?
Ag1 O4 C4 C3 49.5(6) 2_474 . . . ?
C5 N1 C4 O4 -179.4(4) . . . . ?
C5 N1 C4 C3 -0.5(7) . . . . ?
C2 C3 C4 O4 178.9(5) . . . . ?
C2 C3 C4 N1 0.1(7) . . . . ?
C2 C1 C5 N1 0.2(7) . . . . ?
S1 C1 C5 N1 -177.7(4) . . . . ?
C4 N1 C5 C1 0.4(7) . . . . ?
O5 S2 C6 C10 -113.3(5) . . . . ?
O6 S2 C6 C10 126.2(4) . . . . ?
O7 S2 C6 C10 7.1(5) . . . . ?
O5 S2 C6 C7 64.9(5) . . . . ?
O6 S2 C6 C7 -55.6(5) . . . . ?
O7 S2 C6 C7 -174.7(4) . . . . ?
C10 C6 C7 C8 0.3(8) . . . . ?
S2 C6 C7 C8 -177.9(4) . . . . ?
C6 C7 C8 C9 -1.5(9) . . . . ?
C10 N2 C9 O8 178.2(5) . . . . ?
C10 N2 C9 C8 0.1(7) . . . . ?
C7 C8 C9 O8 -176.8(6) . . . . ?
C7 C8 C9 N2 1.3(8) . . . . ?
C7 C6 C10 N2 0.9(8) . . . . ?
S2 C6 C10 N2 179.1(4) . . . . ?
C9 N2 C10 C6 -1.1(8) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1W H1W1 O8 0.85(7) 1.97(4) 2.735(6) 148(7) 2_474
O1W H1W2 O10 0.84(5) 1.94(5) 2.774(6) 170(8) 2_585
N1 H1N O8 0.86 2.00 2.863(6) 175.7 1_464
N2 H2N O4 0.86 1.88 2.738(5) 174.9 1_646

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         1.243
_refine_diff_density_min         -0.777
_refine_diff_density_rms         0.116


data_complex2
_database_code_depnum_ccdc_archive 'CCDC 699613'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C5 H4 Ag N O4 S, H2 O'
_chemical_formula_sum            'C5 H6 Ag N O5 S'
_chemical_formula_weight         300.04

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           Orthorhombic
_symmetry_space_group_name_H-M   'P bcm'
_symmetry_space_group_name_Hall  '-P 2c 2b'

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

_cell_length_a                   15.2500(5)
_cell_length_b                   17.8880(6)
_cell_length_c                   6.4355(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     1755.55(10)
_cell_formula_units_Z            8
_cell_measurement_temperature    295(2)
_cell_measurement_reflns_used    11777
_cell_measurement_theta_min      3.17
_cell_measurement_theta_max      27.06

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.17
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.270
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1168
_exptl_absorpt_coefficient_mu    2.522
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.537
_exptl_absorpt_correction_T_max  0.654
_exptl_absorpt_process_details   'ABSCOR (Higashi, 1995)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      295(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       '\w scan'
_diffrn_detector_area_resol_mean 10.000
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            16457
_diffrn_reflns_av_R_equivalents  0.0504
_diffrn_reflns_av_sigmaI/netI    0.0482
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_theta_min         3.51
_diffrn_reflns_theta_max         27.44
_reflns_number_total             2193
_reflns_number_gt                1766
_reflns_threshold_expression     I>2\s(I)

_computing_data_collection       'RAPID-AUTO (Rigaku Corporation, 1998)'
_computing_cell_refinement       RAPID-AUTO
_computing_data_reduction        
'CrystalStructure (Rigaku/MSC and Rigaku Corporation, 2002)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'ORTEP-II (Johnson, 1976)'
_computing_publication_material  SHELXL-97

_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^)+(0.1567P)^2^+4.9235P] 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    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         2193
_refine_ls_number_parameters     162
_refine_ls_number_restraints     24
_refine_ls_R_factor_all          0.0791
_refine_ls_R_factor_gt           0.0699
_refine_ls_wR_factor_ref         0.2320
_refine_ls_wR_factor_gt          0.2185
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_restrained_S_all      1.077
_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 0.17896(5) 0.2500 0.5000 0.0527(3) Uani 1 2 d S . .
Ag2 Ag 0.38017(6) 0.29364(5) 0.7500 0.0912(5) Uani 1 2 d S . .
S1 S 0.04549(14) 0.12228(12) 0.2500 0.0490(6) Uani 1 2 d S . .
S2 S 0.47013(16) 0.12404(14) 0.7500 0.0688(9) Uani 1 2 d S . .
O1 O 0.0560(3) 0.1664(3) 0.4363(11) 0.0666(14) Uani 1 1 d . . .
O2 O -0.0343(4) 0.0781(4) 0.2500 0.066(2) Uani 1 2 d S . .
O3 O 0.2428(4) 0.1525(3) 0.2500 0.0500(15) Uani 1 2 d S . .
O4 O 0.4665(5) 0.1693(6) 0.568(2) 0.069(5) Uani 1 1 d . . .
O5 O 0.5395(5) 0.0712(5) 0.7500 0.087(3) Uani 1 2 d S . .
O6 O 0.2788(5) 0.1844(4) 0.7500 0.0594(19) Uani 1 2 d S . .
O1W O 0.0689(4) -0.2500 0.0000 0.022(2) Uani 0.65(2) 2 d SPU . .
O1W' O 0.0778(10) -0.1987(8) 0.2500 0.039(5) Uani 0.35(2) 2 d SPU . .
O2W O 0.4161(6) -0.2500 1.0000 0.058(4) Uani 0.65(3) 2 d SPU . .
O2W' O 0.387(2) -0.1881(18) 0.7500 0.085(10) Uani 0.35(3) 2 d SPU . .
N1 N 0.1774(5) -0.0675(4) 0.2500 0.053(2) Uani 1 2 d S . .
H1N H 0.1638 -0.1142 0.2500 0.063 Uiso 1 2 calc SR . .
N2 N 0.3027(6) -0.0444(5) 0.7500 0.0523(19) Uani 1 2 d S . .
H2N H 0.3071 -0.0923 0.7500 0.063 Uiso 1 2 calc SR . .
C1 C 0.1326(5) 0.0583(5) 0.2500 0.0387(17) Uani 1 2 d S . .
C2 C 0.1128(6) -0.0161(5) 0.2500 0.046(2) Uani 1 2 d S . .
H2 H 0.0545 -0.0313 0.2500 0.056 Uiso 1 2 calc SR . .
C3 C 0.2629(7) -0.0477(5) 0.2500 0.049(2) Uani 1 2 d S . .
H3 H 0.3060 -0.0845 0.2500 0.059 Uiso 1 2 calc SR . .
C4 C 0.2867(5) 0.0267(5) 0.2500 0.0423(18) Uani 1 2 d S . .
H4 H 0.3458 0.0397 0.2500 0.051 Uiso 1 2 calc SR . .
C5 C 0.2221(6) 0.0834(5) 0.2500 0.0418(17) Uani 1 2 d S . .
C6 C 0.3717(6) 0.0758(5) 0.7500 0.048(2) Uani 1 2 d S . .
C7 C 0.3771(7) -0.0018(6) 0.7500 0.054(2) Uani 1 2 d S . .
H7 H 0.4318 -0.0249 0.7500 0.065 Uiso 1 2 calc SR . .
C8 C 0.2227(6) -0.0125(6) 0.7500 0.051(2) Uani 1 2 d S . .
H8 H 0.1730 -0.0427 0.7500 0.062 Uiso 1 2 calc SR . .
C9 C 0.2133(7) 0.0635(7) 0.7500 0.053(2) Uani 1 2 d S . .
H9 H 0.1573 0.0841 0.7500 0.064 Uiso 1 2 calc SR . .
C10 C 0.2881(6) 0.1122(5) 0.7500 0.0444(18) Uani 1 2 d S . .

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 0.0421(5) 0.0471(5) 0.0688(6) -0.0100(3) 0.000 0.000
Ag2 0.0387(5) 0.0549(6) 0.1801(14) 0.000 0.000 0.0066(3)
S1 0.0285(10) 0.0353(10) 0.0833(16) 0.000 0.000 0.0012(8)
S2 0.0329(12) 0.0378(12) 0.136(3) 0.000 0.000 0.0015(9)
O1 0.043(2) 0.056(3) 0.101(4) -0.024(3) 0.006(3) 0.004(2)
O2 0.027(3) 0.053(4) 0.119(6) 0.000 0.000 -0.011(3)
O3 0.029(3) 0.039(3) 0.082(4) 0.000 0.000 -0.001(2)
O4 0.044(3) 0.054(4) 0.103(4) -0.022(3) 0.005(4) 0.001(3)
O5 0.030(3) 0.056(4) 0.176(10) 0.000 0.000 0.004(3)
O6 0.044(4) 0.031(3) 0.104(6) 0.000 0.000 0.013(3)
O1W 0.003(3) 0.022(3) 0.040(4) -0.005(2) 0.000 0.000
O1W' 0.024(7) 0.023(6) 0.069(8) 0.000 0.000 -0.011(5)
O2W 0.028(5) 0.057(6) 0.090(7) -0.030(5) 0.000 0.000
O2W' 0.081(13) 0.072(12) 0.103(13) 0.000 0.000 -0.001(8)
N1 0.053(5) 0.030(3) 0.076(6) 0.000 0.000 0.000(3)
N2 0.055(5) 0.042(4) 0.060(5) 0.000 0.000 -0.003(4)
C1 0.030(4) 0.033(4) 0.052(5) 0.000 0.000 0.002(3)
C2 0.039(4) 0.039(4) 0.061(5) 0.000 0.000 0.000(4)
C3 0.051(5) 0.041(4) 0.055(5) 0.000 0.000 0.009(4)
C4 0.028(4) 0.053(5) 0.045(4) 0.000 0.000 0.004(4)
C5 0.038(4) 0.038(4) 0.049(4) 0.000 0.000 -0.002(3)
C6 0.038(4) 0.043(4) 0.062(5) 0.000 0.000 0.001(4)
C7 0.046(5) 0.045(5) 0.072(6) 0.000 0.000 0.002(4)
C8 0.043(5) 0.061(6) 0.050(5) 0.000 0.000 -0.017(4)
C9 0.038(5) 0.070(6) 0.052(5) 0.000 0.000 0.005(4)
C10 0.036(4) 0.043(4) 0.054(5) 0.000 0.000 0.001(4)

_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 2.433(5) . ?
Ag1 O1 2.433(5) 3_556 ?
Ag1 O6 2.507(5) . ?
Ag1 O6 2.507(5) 3_556 ?
Ag1 O3 2.565(5) 3_556 ?
Ag1 O3 2.565(5) . ?
Ag1 Ag1 3.21780(10) 6_556 ?
Ag1 Ag1 3.21780(10) 6_557 ?
Ag2 O3 2.305(6) 3_556 ?
Ag2 O6 2.491(7) . ?
Ag2 O4 2.523(11) 8_566 ?
Ag2 O4 2.523(11) 3_556 ?
Ag2 O4 2.838(11) 6_557 ?
Ag2 O4 2.838(11) . ?
S1 O1 1.444(6) . ?
S1 O1 1.444(6) 6_556 ?
S1 O2 1.451(7) . ?
S1 C1 1.753(8) . ?
S2 O5 1.418(8) . ?
S2 O4 1.424(10) 6_557 ?
S2 O4 1.424(10) . ?
S2 C6 1.732(10) . ?
O3 C5 1.276(11) . ?
O3 Ag2 2.305(6) 3_556 ?
O3 Ag1 2.565(5) 6_556 ?
O4 Ag2 2.523(11) 3_556 ?
O6 C10 1.299(11) . ?
O6 Ag1 2.507(5) 6_557 ?
N1 C2 1.348(12) . ?
N1 C3 1.352(13) . ?
N1 H1N 0.8600 . ?
N2 C8 1.347(14) . ?
N2 C7 1.367(13) . ?
N2 H2N 0.8600 . ?
C1 C2 1.364(12) . ?
C1 C5 1.438(12) . ?
C2 H2 0.9300 . ?
C3 C4 1.380(14) . ?
C3 H3 0.9300 . ?
C4 C5 1.413(12) . ?
C4 H4 0.9300 . ?
C6 C7 1.390(14) . ?
C6 C10 1.433(13) . ?
C7 H7 0.9300 . ?
C8 C9 1.368(16) . ?
C8 H8 0.9300 . ?
C9 C10 1.435(14) . ?
C9 H9 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
O1 Ag1 O1 79.2(2) . 3_556 ?
O1 Ag1 O6 106.8(2) . . ?
O1 Ag1 O6 130.37(19) 3_556 . ?
O1 Ag1 O6 130.37(19) . 3_556 ?
O1 Ag1 O6 106.8(2) 3_556 3_556 ?
O6 Ag1 O6 105.2(3) . 3_556 ?
O1 Ag1 O3 144.71(19) . 3_556 ?
O1 Ag1 O3 76.65(19) 3_556 3_556 ?
O6 Ag1 O3 71.63(18) . 3_556 ?
O6 Ag1 O3 81.58(13) 3_556 3_556 ?
O1 Ag1 O3 76.65(19) . . ?
O1 Ag1 O3 144.71(19) 3_556 . ?
O6 Ag1 O3 81.58(13) . . ?
O6 Ag1 O3 71.63(18) 3_556 . ?
O3 Ag1 O3 135.4(3) 3_556 . ?
O1 Ag1 Ag1 80.30(17) . 6_556 ?
O1 Ag1 Ag1 99.70(17) 3_556 6_556 ?
O6 Ag1 Ag1 129.92(9) . 6_556 ?
O6 Ag1 Ag1 50.08(9) 3_556 6_556 ?
O3 Ag1 Ag1 128.85(9) 3_556 6_556 ?
O3 Ag1 Ag1 51.15(9) . 6_556 ?
O1 Ag1 Ag1 99.70(17) . 6_557 ?
O1 Ag1 Ag1 80.30(17) 3_556 6_557 ?
O6 Ag1 Ag1 50.08(9) . 6_557 ?
O6 Ag1 Ag1 129.92(9) 3_556 6_557 ?
O3 Ag1 Ag1 51.15(9) 3_556 6_557 ?
O3 Ag1 Ag1 128.85(9) . 6_557 ?
Ag1 Ag1 Ag1 180.0 6_556 6_557 ?
O3 Ag2 O6 76.4(2) 3_556 . ?
O3 Ag2 O4 111.36(18) 3_556 8_566 ?
O6 Ag2 O4 122.0(3) . 8_566 ?
O3 Ag2 O4 111.36(18) 3_556 3_556 ?
O6 Ag2 O4 122.0(3) . 3_556 ?
O4 Ag2 O4 108.5(6) 8_566 3_556 ?
O4 Ag2 O4 48.8(3) 6_557 . ?
O4 Ag2 O6 70.9(2) 6_557 . ?
O4 Ag2 O3 138.5(2) 6_557 3_556 ?
O4 Ag2 O4 107.4(3) 6_557 3_556 ?
O4 Ag2 O4 68.2(3) 6_557 8_566 ?
O3 Ag2 O4 138.5(2) 3_556 . ?
O6 Ag2 O4 70.9(2) . . ?
O4 Ag2 O4 68.2(3) 3_556 . ?
O4 Ag2 O4 107.4(3) 8_566 . ?
O1 S1 O1 112.2(5) . 6_556 ?
O1 S1 O2 113.0(3) . . ?
O1 S1 O2 113.0(3) 6_556 . ?
O1 S1 C1 105.8(3) . . ?
O1 S1 C1 105.8(3) 6_556 . ?
O2 S1 C1 106.3(4) . . ?
O5 S2 O4 114.1(5) . 6_557 ?
O5 S2 O4 114.1(5) . . ?
O4 S2 O4 110.4(11) 6_557 . ?
O5 S2 C6 108.3(5) . . ?
O4 S2 C6 104.5(4) 6_557 . ?
O4 S2 C6 104.5(4) . . ?
S1 O1 Ag1 124.2(4) . . ?
C5 O3 Ag2 129.0(6) . 3_556 ?
C5 O3 Ag1 124.4(4) . . ?
Ag2 O3 Ag1 93.50(19) 3_556 . ?
C5 O3 Ag1 124.4(4) . 6_556 ?
Ag2 O3 Ag1 93.50(19) 3_556 6_556 ?
Ag1 O3 Ag1 77.70(17) . 6_556 ?
S2 O4 Ag2 146.8(5) . 3_556 ?
C10 O6 Ag2 135.4(6) . . ?
C10 O6 Ag1 122.1(4) . 6_557 ?
Ag2 O6 Ag1 90.56(19) . 6_557 ?
C10 O6 Ag1 122.1(4) . . ?
Ag2 O6 Ag1 90.56(19) . . ?
Ag1 O6 Ag1 79.85(19) 6_557 . ?
C2 N1 C3 121.8(8) . . ?
C2 N1 H1N 119.1 . . ?
C3 N1 H1N 119.1 . . ?
C8 N2 C7 121.1(9) . . ?
C8 N2 H2N 119.5 . . ?
C7 N2 H2N 119.5 . . ?
C2 C1 C5 120.9(8) . . ?
C2 C1 S1 118.0(7) . . ?
C5 C1 S1 121.1(6) . . ?
N1 C2 C1 120.3(8) . . ?
N1 C2 H2 119.8 . . ?
C1 C2 H2 119.8 . . ?
N1 C3 C4 120.4(8) . . ?
N1 C3 H3 119.8 . . ?
C4 C3 H3 119.8 . . ?
C3 C4 C5 120.6(8) . . ?
C3 C4 H4 119.7 . . ?
C5 C4 H4 119.7 . . ?
O3 C5 C4 121.5(8) . . ?
O3 C5 C1 122.5(8) . . ?
C4 C5 C1 116.0(7) . . ?
C7 C6 C10 120.5(9) . . ?
C7 C6 S2 116.5(7) . . ?
C10 C6 S2 123.0(7) . . ?
N2 C7 C6 120.5(9) . . ?
N2 C7 H7 119.8 . . ?
C6 C7 H7 119.8 . . ?
N2 C8 C9 121.0(9) . . ?
N2 C8 H8 119.5 . . ?
C9 C8 H8 119.5 . . ?
C8 C9 C10 121.4(9) . . ?
C8 C9 H9 119.3 . . ?
C10 C9 H9 119.3 . . ?
O6 C10 C6 123.3(9) . . ?
O6 C10 C9 121.2(9) . . ?
C6 C10 C9 115.5(8) . . ?

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
O1 S1 O1 Ag1 -49.9(6) 6_556 . . . ?
O2 S1 O1 Ag1 -179.1(4) . . . . ?
C1 S1 O1 Ag1 65.1(5) . . . . ?
O1 Ag1 O1 S1 127.6(6) 3_556 . . . ?
O6 Ag1 O1 S1 -103.3(4) . . . . ?
O6 Ag1 O1 S1 24.7(5) 3_556 . . . ?
O3 Ag1 O1 S1 175.0(3) 3_556 . . . ?
O3 Ag1 O1 S1 -26.5(4) . . . . ?
Ag1 Ag1 O1 S1 25.6(4) 6_556 . . . ?
Ag1 Ag1 O1 S1 -154.4(4) 6_557 . . . ?
O1 Ag1 O3 C5 -35.3(5) . . . . ?
O1 Ag1 O3 C5 -83.3(6) 3_556 . . . ?
O6 Ag1 O3 C5 74.3(5) . . . . ?
O6 Ag1 O3 C5 -176.5(5) 3_556 . . . ?
O3 Ag1 O3 C5 127.2(5) 3_556 . . . ?
Ag1 Ag1 O3 C5 -123.5(6) 6_556 . . . ?
Ag1 Ag1 O3 C5 56.5(6) 6_557 . . . ?
O1 Ag1 O3 Ag2 -179.0(2) . . . 3_556 ?
O1 Ag1 O3 Ag2 133.0(3) 3_556 . . 3_556 ?
O6 Ag1 O3 Ag2 -69.39(19) . . . 3_556 ?
O6 Ag1 O3 Ag2 39.75(17) 3_556 . . 3_556 ?
O3 Ag1 O3 Ag2 -16.49(7) 3_556 . . 3_556 ?
Ag1 Ag1 O3 Ag2 92.82(16) 6_556 . . 3_556 ?
Ag1 Ag1 O3 Ag2 -87.18(16) 6_557 . . 3_556 ?
O1 Ag1 O3 Ag1 88.2(2) . . . 6_556 ?
O1 Ag1 O3 Ag1 40.2(4) 3_556 . . 6_556 ?
O6 Ag1 O3 Ag1 -162.2(2) . . . 6_556 ?
O6 Ag1 O3 Ag1 -53.07(16) 3_556 . . 6_556 ?
O3 Ag1 O3 Ag1 -109.31(13) 3_556 . . 6_556 ?
Ag1 Ag1 O3 Ag1 180.0 6_557 . . 6_556 ?
O5 S2 O4 Ag2 116.4(13) . . . 3_556 ?
O4 S2 O4 Ag2 -113.5(13) 6_557 . . 3_556 ?
C6 S2 O4 Ag2 -1.7(16) . . . 3_556 ?
O3 Ag2 O6 C10 180.0 3_556 . . . ?
O4 Ag2 O6 C10 -73.1(2) 8_566 . . . ?
O4 Ag2 O6 C10 73.1(2) 3_556 . . . ?
O3 Ag2 O6 Ag1 -39.93(9) 3_556 . . 6_557 ?
O4 Ag2 O6 Ag1 67.0(3) 8_566 . . 6_557 ?
O4 Ag2 O6 Ag1 -146.80(19) 3_556 . . 6_557 ?
O3 Ag2 O6 Ag1 39.93(9) 3_556 . . . ?
O4 Ag2 O6 Ag1 146.80(19) 8_566 . . . ?
O4 Ag2 O6 Ag1 -67.0(3) 3_556 . . . ?
O1 Ag1 O6 C10 33.0(6) . . . . ?
O1 Ag1 O6 C10 122.9(5) 3_556 . . . ?
O6 Ag1 O6 C10 -108.6(5) 3_556 . . . ?
O3 Ag1 O6 C10 175.9(6) 3_556 . . . ?
O3 Ag1 O6 C10 -40.3(5) . . . . ?
Ag1 Ag1 O6 C10 -58.4(6) 6_556 . . . ?
Ag1 Ag1 O6 C10 121.6(6) 6_557 . . . ?
O1 Ag1 O6 Ag2 -179.16(16) . . . . ?
O1 Ag1 O6 Ag2 -89.2(2) 3_556 . . . ?
O6 Ag1 O6 Ag2 39.33(9) 3_556 . . . ?
O3 Ag1 O6 Ag2 -36.20(13) 3_556 . . . ?
O3 Ag1 O6 Ag2 107.60(17) . . . . ?
Ag1 Ag1 O6 Ag2 89.53(16) 6_556 . . . ?
Ag1 Ag1 O6 Ag2 -90.47(16) 6_557 . . . ?
O1 Ag1 O6 Ag1 -88.7(2) . . . 6_557 ?
O1 Ag1 O6 Ag1 1.3(3) 3_556 . . 6_557 ?
O6 Ag1 O6 Ag1 129.8(2) 3_556 . . 6_557 ?
O3 Ag1 O6 Ag1 54.27(16) 3_556 . . 6_557 ?
O3 Ag1 O6 Ag1 -161.9(2) . . . 6_557 ?
Ag1 Ag1 O6 Ag1 180.0 6_556 . . 6_557 ?
O1 S1 C1 C2 120.4(3) . . . . ?
O1 S1 C1 C2 -120.4(3) 6_556 . . . ?
O2 S1 C1 C2 0.0 . . . . ?
O1 S1 C1 C5 -59.6(3) . . . . ?
O1 S1 C1 C5 59.6(3) 6_556 . . . ?
O2 S1 C1 C5 180.0 . . . . ?
C3 N1 C2 C1 0.0 . . . . ?
C5 C1 C2 N1 0.0 . . . . ?
S1 C1 C2 N1 180.0 . . . . ?
C2 N1 C3 C4 0.0 . . . . ?
N1 C3 C4 C5 0.0 . . . . ?
Ag2 O3 C5 C4 0.0 3_556 . . . ?
Ag1 O3 C5 C4 -130.5(3) . . . . ?
Ag1 O3 C5 C4 130.5(3) 6_556 . . . ?
Ag2 O3 C5 C1 180.0 3_556 . . . ?
Ag1 O3 C5 C1 49.5(3) . . . . ?
Ag1 O3 C5 C1 -49.5(3) 6_556 . . . ?
C3 C4 C5 O3 180.0 . . . . ?
C3 C4 C5 C1 0.0 . . . . ?
C2 C1 C5 O3 180.0 . . . . ?
S1 C1 C5 O3 0.0 . . . . ?
C2 C1 C5 C4 0.0 . . . . ?
S1 C1 C5 C4 180.0 . . . . ?
O5 S2 C6 C7 0.0 . . . . ?
O4 S2 C6 C7 -122.0(6) 6_557 . . . ?
O4 S2 C6 C7 122.0(6) . . . . ?
O5 S2 C6 C10 180.0 . . . . ?
O4 S2 C6 C10 58.0(6) 6_557 . . . ?
O4 S2 C6 C10 -58.0(6) . . . . ?
C8 N2 C7 C6 0.0 . . . . ?
C10 C6 C7 N2 0.0 . . . . ?
S2 C6 C7 N2 180.0 . . . . ?
C7 N2 C8 C9 0.0 . . . . ?
N2 C8 C9 C10 0.0 . . . . ?
Ag2 O6 C10 C6 0.0 . . . . ?
Ag1 O6 C10 C6 -130.8(4) 6_557 . . . ?
Ag1 O6 C10 C6 130.8(4) . . . . ?
Ag2 O6 C10 C9 180.0 . . . . ?
Ag1 O6 C10 C9 49.2(4) 6_557 . . . ?
Ag1 O6 C10 C9 -49.2(4) . . . . ?
C7 C6 C10 O6 180.0 . . . . ?
S2 C6 C10 O6 0.0 . . . . ?
C7 C6 C10 C9 0.0 . . . . ?
S2 C6 C10 C9 180.0 . . . . ?
C8 C9 C10 O6 180.0 . . . . ?
C8 C9 C10 C6 0.0 . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N1 H1N O1W' 0.86 2.00 2.796(16) 153.0 .
N2 H2N O2W' 0.86 2.11 2.88(3) 148.9 .

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        27.44
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         1.696
_refine_diff_density_min         -1.128
_refine_diff_density_rms         0.223

#===END

data_complex3
_database_code_depnum_ccdc_archive 'CCDC 699614'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C5 H4 Ag2 N2 O7 S'
_chemical_formula_sum            'C5 H4 Ag2 N2 O7 S'
_chemical_formula_weight         451.90

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   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'

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                   5.5773(11)
_cell_length_b                   18.952(4)
_cell_length_c                   9.4721(19)
_cell_angle_alpha                90.00
_cell_angle_beta                 97.25(3)
_cell_angle_gamma                90.00
_cell_volume                     993.2(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    295(2)
_cell_measurement_reflns_used    8717
_cell_measurement_theta_min      3.06
_cell_measurement_theta_max      27.43

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.022
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             856
_exptl_absorpt_coefficient_mu    4.180
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.369
_exptl_absorpt_correction_T_max  0.538
_exptl_absorpt_process_details   'ABSCOR (Higashi, 1995)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      295(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       '\w scan'
_diffrn_detector_area_resol_mean 10.000
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            9549
_diffrn_reflns_av_R_equivalents  0.0242
_diffrn_reflns_av_sigmaI/netI    0.0205
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         3.05
_diffrn_reflns_theta_max         27.44
_reflns_number_total             2269
_reflns_number_gt                2087
_reflns_threshold_expression     I>2\s(I)

_computing_data_collection       'RAPID-AUTO (Rigaku Corporation, 1998)'
_computing_cell_refinement       RAPID-AUTO
_computing_data_reduction        
'CrystalStructure (Rigaku/MSC and Rigaku Corporation, 2002)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'ORTEP-II (Johnson, 1976)'
_computing_publication_material  SHELXL-97

_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^)+(0.0262P)^2^+1.6331P] 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    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         2269
_refine_ls_number_parameters     154
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0287
_refine_ls_R_factor_gt           0.0257
_refine_ls_wR_factor_ref         0.0655
_refine_ls_wR_factor_gt          0.0613
_refine_ls_goodness_of_fit_ref   1.122
_refine_ls_restrained_S_all      1.122
_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 0.26209(4) 0.477573(13) 0.39952(3) 0.03196(9) Uani 1 1 d . . .
Ag2 Ag 0.70698(6) 0.520605(14) 0.19430(3) 0.04245(10) Uani 1 1 d . . .
S1 S 0.21761(14) 0.62747(4) 0.59886(8) 0.02743(16) Uani 1 1 d . . .
O1 O 0.0695(4) 0.57850(13) 0.5052(3) 0.0402(6) Uani 1 1 d . . .
O2 O 0.0779(5) 0.67477(13) 0.6741(3) 0.0431(6) Uani 1 1 d . . .
O3 O 0.4049(4) 0.58965(12) 0.6927(2) 0.0332(5) Uani 1 1 d . . .
O4 O 0.5409(4) 0.58068(11) 0.3772(2) 0.0298(5) Uani 1 1 d . . .
O5 O 0.3564(4) 0.57314(14) 0.0381(3) 0.0434(6) Uani 1 1 d . . .
O6 O 0.1160(5) 0.50854(13) 0.1468(3) 0.0396(6) Uani 1 1 d . . .
O7 O 0.0147(6) 0.61532(16) 0.0839(4) 0.0624(9) Uani 1 1 d . . .
N1 N 0.4965(5) 0.79301(14) 0.4255(3) 0.0359(6) Uani 1 1 d . . .
H1N H 0.4827 0.8380 0.4324 0.043 Uiso 1 1 calc R . .
N2 N 0.1623(5) 0.56652(15) 0.0902(3) 0.0341(6) Uani 1 1 d . . .
C1 C 0.3624(6) 0.75114(16) 0.4980(3) 0.0307(6) Uani 1 1 d . . .
H1 H 0.2574 0.7711 0.5556 0.037 Uiso 1 1 calc R . .
C2 C 0.3780(5) 0.67929(15) 0.4883(3) 0.0245(6) Uani 1 1 d . . .
C3 C 0.5307(5) 0.64727(15) 0.3950(3) 0.0246(6) Uani 1 1 d . . .
C4 C 0.6717(6) 0.69545(17) 0.3242(4) 0.0336(7) Uani 1 1 d . . .
H4 H 0.7787 0.6781 0.2650 0.040 Uiso 1 1 calc R . .
C5 C 0.6523(7) 0.76628(18) 0.3420(4) 0.0363(7) Uani 1 1 d . . .
H5 H 0.7478 0.7966 0.2959 0.044 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 0.03121(14) 0.03191(15) 0.03376(15) 0.00338(9) 0.00794(10) -0.00222(9)
Ag2 0.04850(18) 0.03748(16) 0.04645(18) 0.00318(11) 0.02580(13) 0.00502(12)
S1 0.0283(3) 0.0233(3) 0.0331(4) 0.0006(3) 0.0131(3) -0.0005(3)
O1 0.0326(12) 0.0364(13) 0.0530(15) -0.0059(11) 0.0112(11) -0.0111(10)
O2 0.0472(14) 0.0382(13) 0.0493(15) -0.0015(11) 0.0273(12) 0.0076(11)
O3 0.0374(12) 0.0303(12) 0.0336(12) 0.0073(9) 0.0109(10) 0.0043(10)
O4 0.0357(11) 0.0223(10) 0.0333(12) -0.0036(9) 0.0116(9) -0.0001(9)
O5 0.0359(12) 0.0485(15) 0.0489(15) 0.0090(12) 0.0182(11) -0.0009(11)
O6 0.0506(15) 0.0394(13) 0.0288(12) 0.0069(10) 0.0048(11) -0.0114(11)
O7 0.0632(19) 0.0456(16) 0.085(2) -0.0012(15) 0.0346(17) 0.0146(15)
N1 0.0443(16) 0.0193(12) 0.0447(17) 0.0052(11) 0.0083(13) -0.0019(11)
N2 0.0399(15) 0.0353(15) 0.0287(14) -0.0037(11) 0.0104(11) -0.0052(13)
C1 0.0362(16) 0.0244(14) 0.0318(16) 0.0004(12) 0.0055(13) 0.0022(13)
C2 0.0281(14) 0.0211(13) 0.0251(14) 0.0026(11) 0.0070(11) -0.0002(11)
C3 0.0266(13) 0.0245(14) 0.0229(14) 0.0018(11) 0.0041(11) -0.0012(11)
C4 0.0369(16) 0.0337(17) 0.0329(17) 0.0040(13) 0.0150(13) -0.0010(14)
C5 0.0409(18) 0.0306(16) 0.0390(18) 0.0105(14) 0.0109(14) -0.0072(14)

_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 2.405(2) 3_566 ?
Ag1 O1 2.467(3) . ?
Ag1 O3 2.499(2) 3_666 ?
Ag1 O6 2.499(2) . ?
Ag1 O4 2.513(2) 3_666 ?
Ag1 O4 2.523(2) . ?
Ag1 Ag1 3.1802(8) 3_666 ?
Ag1 Ag2 3.4377(8) . ?
Ag2 O4 2.358(2) . ?
Ag2 O6 2.391(3) 1_655 ?
Ag2 O3 2.464(2) 3_666 ?
Ag2 O5 2.505(3) . ?
Ag2 O5 2.816(3) 3_665 ?
Ag2 O7 2.777(4) 1_655 ?
S1 O2 1.435(2) . ?
S1 O1 1.465(2) . ?
S1 O3 1.470(2) . ?
S1 C2 1.760(3) . ?
O1 Ag1 2.405(2) 3_566 ?
O3 Ag2 2.464(2) 3_666 ?
O3 Ag1 2.499(2) 3_666 ?
O4 C3 1.276(4) . ?
O4 Ag1 2.513(2) 3_666 ?
O5 N2 1.252(4) . ?
O6 N2 1.264(4) . ?
O6 Ag2 2.391(3) 1_455 ?
O7 N2 1.235(4) . ?
N1 C1 1.338(4) . ?
N1 C5 1.345(5) . ?
N1 H1N 0.8600 . ?
C1 C2 1.368(4) . ?
C1 H1 0.9300 . ?
C2 C3 1.437(4) . ?
C3 C4 1.426(4) . ?
C4 C5 1.359(5) . ?
C4 H4 0.9300 . ?
C5 H5 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
O1 Ag1 O1 78.20(9) 3_566 . ?
O1 Ag1 O3 123.13(8) 3_566 3_666 ?
O1 Ag1 O3 156.63(8) . 3_666 ?
O1 Ag1 O6 106.85(9) 3_566 . ?
O1 Ag1 O6 95.77(9) . . ?
O3 Ag1 O6 87.23(9) 3_666 . ?
O1 Ag1 O4 76.42(8) 3_566 3_666 ?
O1 Ag1 O4 99.53(8) . 3_666 ?
O3 Ag1 O4 78.76(7) 3_666 3_666 ?
O6 Ag1 O4 164.70(8) . 3_666 ?
O1 Ag1 O4 152.25(8) 3_566 . ?
O1 Ag1 O4 74.82(7) . . ?
O3 Ag1 O4 82.66(7) 3_666 . ?
O6 Ag1 O4 82.40(8) . . ?
O4 Ag1 O4 101.67(7) 3_666 . ?
O1 Ag1 Ag1 121.10(7) 3_566 3_666 ?
O1 Ag1 Ag1 85.59(6) . 3_666 ?
O3 Ag1 Ag1 75.21(6) 3_666 3_666 ?
O6 Ag1 Ag1 131.08(6) . 3_666 ?
O4 Ag1 Ag1 50.98(5) 3_666 3_666 ?
O4 Ag1 Ag1 50.69(5) . 3_666 ?
O4 Ag2 O6 131.06(8) . 1_655 ?
O4 Ag2 O3 86.90(8) . 3_666 ?
O6 Ag2 O3 107.49(8) 1_655 3_666 ?
O4 Ag2 O5 83.83(8) . . ?
O6 Ag2 O5 128.24(8) 1_655 . ?
O3 Ag2 O5 111.85(8) 3_666 . ?
O4 Ag2 O5 148.95(7) . 3_665 ?
O3 Ag2 O5 77.93(7) 3_666 3_665 ?
O5 Ag2 O5 77.14(8) . 3_665 ?
O6 Ag2 O5 79.70(8) 1_655 3_665 ?
O7 Ag2 O5 97.82(9) 1_655 3_665 ?
O7 Ag2 O4 106.45(9) 1_655 . ?
O7 Ag2 O5 89.65(8) 1_655 . ?
O7 Ag2 O3 156.09(8) 1_655 3_666 ?
O7 Ag2 O6 48.82(9) 1_655 1_655 ?
O2 S1 O1 113.35(16) . . ?
O2 S1 O3 113.16(15) . . ?
O1 S1 O3 111.14(15) . . ?
O2 S1 C2 107.20(15) . . ?
O1 S1 C2 106.45(15) . . ?
O3 S1 C2 104.84(14) . . ?
S1 O1 Ag1 117.02(15) . 3_566 ?
S1 O1 Ag1 119.72(14) . . ?
Ag1 O1 Ag1 101.80(9) 3_566 . ?
S1 O3 Ag2 118.47(13) . 3_666 ?
S1 O3 Ag1 122.68(13) . 3_666 ?
Ag2 O3 Ag1 87.69(7) 3_666 3_666 ?
C3 O4 Ag2 127.10(19) . . ?
C3 O4 Ag1 110.22(18) . 3_666 ?
Ag2 O4 Ag1 103.64(8) . 3_666 ?
C3 O4 Ag1 135.80(19) . . ?
Ag2 O4 Ag1 89.49(7) . . ?
Ag1 O4 Ag1 78.33(6) 3_666 . ?
N2 O5 Ag2 112.1(2) . . ?
N2 O6 Ag2 104.3(2) . 1_455 ?
N2 O6 Ag1 123.4(2) . . ?
Ag2 O6 Ag1 92.62(9) 1_455 . ?
C1 N1 C5 121.5(3) . . ?
C1 N1 H1N 119.2 . . ?
C5 N1 H1N 119.2 . . ?
O7 N2 O5 120.7(3) . . ?
O7 N2 O6 120.1(3) . . ?
O5 N2 O6 119.2(3) . . ?
N1 C1 C2 120.8(3) . . ?
N1 C1 H1 119.6 . . ?
C2 C1 H1 119.6 . . ?
C1 C2 C3 120.6(3) . . ?
C1 C2 S1 118.3(2) . . ?
C3 C2 S1 121.0(2) . . ?
O4 C3 C4 122.3(3) . . ?
O4 C3 C2 122.6(3) . . ?
C4 C3 C2 115.0(3) . . ?
C5 C4 C3 121.1(3) . . ?
C5 C4 H4 119.4 . . ?
C3 C4 H4 119.4 . . ?
N1 C5 C4 120.8(3) . . ?
N1 C5 H5 119.6 . . ?
C4 C5 H5 119.6 . . ?

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
O2 S1 O1 Ag1 -44.6(2) . . . 3_566 ?
O3 S1 O1 Ag1 84.14(16) . . . 3_566 ?
C2 S1 O1 Ag1 -162.25(14) . . . 3_566 ?
O2 S1 O1 Ag1 -168.38(15) . . . . ?
O3 S1 O1 Ag1 -39.60(19) . . . . ?
C2 S1 O1 Ag1 74.01(18) . . . . ?
O1 Ag1 O1 S1 130.8(2) 3_566 . . . ?
O3 Ag1 O1 S1 -26.7(3) 3_666 . . . ?
O6 Ag1 O1 S1 -123.13(16) . . . . ?
O4 Ag1 O1 S1 56.97(17) 3_666 . . . ?
O4 Ag1 O1 S1 -42.63(15) . . . . ?
Ag1 Ag1 O1 S1 7.76(15) 3_666 . . . ?
O1 Ag1 O1 Ag1 0.0 3_566 . . 3_566 ?
O3 Ag1 O1 Ag1 -157.54(16) 3_666 . . 3_566 ?
O6 Ag1 O1 Ag1 106.05(10) . . . 3_566 ?
O4 Ag1 O1 Ag1 -73.84(9) 3_666 . . 3_566 ?
O4 Ag1 O1 Ag1 -173.45(11) . . . 3_566 ?
Ag1 Ag1 O1 Ag1 -123.05(8) 3_666 . . 3_566 ?
O2 S1 O3 Ag2 85.98(18) . . . 3_666 ?
O1 S1 O3 Ag2 -42.90(18) . . . 3_666 ?
C2 S1 O3 Ag2 -157.52(13) . . . 3_666 ?
O2 S1 O3 Ag1 -166.96(14) . . . 3_666 ?
O1 S1 O3 Ag1 64.16(18) . . . 3_666 ?
C2 S1 O3 Ag1 -50.47(18) . . . 3_666 ?
O6 Ag2 O4 C3 68.8(3) 1_655 . . . ?
O3 Ag2 O4 C3 179.5(2) 3_666 . . . ?
O5 Ag2 O4 C3 -68.2(2) . . . . ?
O6 Ag2 O4 Ag1 -60.15(12) 1_655 . . 3_666 ?
O3 Ag2 O4 Ag1 50.46(8) 3_666 . . 3_666 ?
O5 Ag2 O4 Ag1 162.84(9) . . . 3_666 ?
O6 Ag2 O4 Ag1 -138.01(8) 1_655 . . . ?
O3 Ag2 O4 Ag1 -27.40(7) 3_666 . . . ?
O5 Ag2 O4 Ag1 84.98(8) . . . . ?
O1 Ag1 O4 C3 -24.1(4) 3_566 . . . ?
O1 Ag1 O4 C3 -10.2(3) . . . . ?
O3 Ag1 O4 C3 176.1(3) 3_666 . . . ?
O6 Ag1 O4 C3 87.9(3) . . . . ?
O4 Ag1 O4 C3 -107.1(3) 3_666 . . . ?
Ag1 Ag1 O4 C3 -107.1(3) 3_666 . . . ?
O1 Ag1 O4 Ag2 -172.99(14) 3_566 . . . ?
O1 Ag1 O4 Ag2 -159.11(9) . . . . ?
O3 Ag1 O4 Ag2 27.18(7) 3_666 . . . ?
O6 Ag1 O4 Ag2 -60.99(8) . . . . ?
O4 Ag1 O4 Ag2 104.04(8) 3_666 . . . ?
Ag1 Ag1 O4 Ag2 104.04(8) 3_666 . . . ?
O1 Ag1 O4 Ag1 82.97(17) 3_566 . . 3_666 ?
O1 Ag1 O4 Ag1 96.84(8) . . . 3_666 ?
O3 Ag1 O4 Ag1 -76.86(7) 3_666 . . 3_666 ?
O6 Ag1 O4 Ag1 -165.03(8) . . . 3_666 ?
O4 Ag1 O4 Ag1 0.0 3_666 . . 3_666 ?
O4 Ag2 O5 N2 -45.9(2) . . . . ?
O6 Ag2 O5 N2 174.95(19) 1_655 . . . ?
O3 Ag2 O5 N2 38.2(2) 3_666 . . . ?
O1 Ag1 O6 N2 137.8(3) 3_566 . . . ?
O1 Ag1 O6 N2 58.4(3) . . . . ?
O3 Ag1 O6 N2 -98.3(3) 3_666 . . . ?
O4 Ag1 O6 N2 -122.0(3) 3_666 . . . ?
O4 Ag1 O6 N2 -15.4(3) . . . . ?
Ag1 Ag1 O6 N2 -30.7(3) 3_666 . . . ?
O1 Ag1 O6 Ag2 28.70(10) 3_566 . . 1_455 ?
O1 Ag1 O6 Ag2 -50.69(9) . . . 1_455 ?
O3 Ag1 O6 Ag2 152.55(9) 3_666 . . 1_455 ?
O4 Ag1 O6 Ag2 128.9(3) 3_666 . . 1_455 ?
O4 Ag1 O6 Ag2 -124.48(9) . . . 1_455 ?
Ag1 Ag1 O6 Ag2 -139.86(5) 3_666 . . 1_455 ?
Ag2 O5 N2 O7 138.9(3) . . . . ?
Ag2 O5 N2 O6 -42.7(3) . . . . ?
Ag2 O6 N2 O7 6.6(4) 1_455 . . . ?
Ag1 O6 N2 O7 -96.4(4) . . . . ?
Ag2 O6 N2 O5 -171.8(2) 1_455 . . . ?
Ag1 O6 N2 O5 85.2(3) . . . . ?
C5 N1 C1 C2 -0.7(5) . . . . ?
N1 C1 C2 C3 -2.8(5) . . . . ?
N1 C1 C2 S1 174.3(2) . . . . ?
O2 S1 C2 C1 4.8(3) . . . . ?
O1 S1 C2 C1 126.4(3) . . . . ?
O3 S1 C2 C1 -115.7(3) . . . . ?
O2 S1 C2 C3 -178.1(2) . . . . ?
O1 S1 C2 C3 -56.5(3) . . . . ?
O3 S1 C2 C3 61.3(3) . . . . ?
Ag2 O4 C3 C4 -15.5(4) . . . . ?
Ag1 O4 C3 C4 111.0(3) 3_666 . . . ?
Ag1 O4 C3 C4 -155.1(2) . . . . ?
Ag2 O4 C3 C2 165.0(2) . . . . ?
Ag1 O4 C3 C2 -68.6(3) 3_666 . . . ?
Ag1 O4 C3 C2 25.4(4) . . . . ?
C1 C2 C3 O4 -176.3(3) . . . . ?
S1 C2 C3 O4 6.7(4) . . . . ?
C1 C2 C3 C4 4.2(4) . . . . ?
S1 C2 C3 C4 -172.9(2) . . . . ?
O4 C3 C4 C5 178.1(3) . . . . ?
C2 C3 C4 C5 -2.3(5) . . . . ?
C1 N1 C5 C4 2.6(5) . . . . ?
C3 C4 C5 N1 -1.0(5) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N1 H1N O5 0.86 2.12 2.897(4) 149.4 4_576

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        27.44
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.592
_refine_diff_density_min         -0.964
_refine_diff_density_rms         0.126