# 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        'Qing-Yan Liu'
_publ_contact_author_email       QYLIUCHEM@HOTMAIL.COM

_publ_section_title              
;
Two Novel Luminescent Silver(I) Coordination Polymers
Containing Octanuclear Silver Cluster Units or Ligand Unsupported
Ag???Ag Interactions Constructed from 5-Sulfoisophthalic Acid (H3SIP)
and Organic Amine
;
loop_
_publ_author_name
'Liu Qing-Yan.'
'Yu-Ling Wang.'
'Li Xu.'

# Attachment 'Revised_Ag.cif'

data_1
_database_code_depnum_ccdc_archive 'CCDC 680834'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C16 H10 Ag4 O16 S2, 2 (C2 H6 N), 2 (H2 O)'
_chemical_formula_sum            'C20 H26 Ag4 N2 O18 S2'
_chemical_formula_weight         1078.03

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           Triclinic
_symmetry_space_group_name_H-M   P-1
_symmetry_space_group_name_Hall  '-P 1'

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

_cell_length_a                   6.9224(2)
_cell_length_b                   12.8632(4)
_cell_length_c                   16.8675(5)
_cell_angle_alpha                102.9060(10)
_cell_angle_beta                 91.9120(10)
_cell_angle_gamma                94.3620(10)
_cell_volume                     1457.81(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       Needle
_exptl_crystal_colour            'Pale yellow'
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.456
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1048
_exptl_absorpt_coefficient_mu    2.878
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.742
_exptl_absorpt_correction_T_max  0.846
_exptl_absorpt_process_details   'CrystalClear (Rigaku Corp., 2000)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      173(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  'Mercury70 (2x2 bin mode)'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            7395
_diffrn_reflns_av_R_equivalents  0.0226
_diffrn_reflns_av_sigmaI/netI    0.0280
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.24
_diffrn_reflns_theta_max         24.95
_reflns_number_total             4957
_reflns_number_gt                4623
_reflns_threshold_expression     >2sigma(I)

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

_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.

The O6 and O7 atoms of the sulfonate group found to be disordered and
was modelled over two sets of positions using restraints on their
anisotropic displacement parameters. The major and minor disorder
components had refined occupancies of 74.8(4) and 25.2(5) %,
respectively.
;

_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)+(0.0510P)²+14.3848P] 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       0.0240(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         4957
_refine_ls_number_parameters     423
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0437
_refine_ls_R_factor_gt           0.0384
_refine_ls_wR_factor_ref         0.1138
_refine_ls_wR_factor_gt          0.0994
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_restrained_S_all      1.017
_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 0.61867(8) 0.27147(4) -0.01535(3) 0.03241(18) Uani 1 1 d . . .
Ag2 Ag 0.19504(8) 0.25319(5) -0.15238(3) 0.03534(19) Uani 1 1 d . . .
Ag3 Ag 0.29806(9) 0.43445(4) -0.02022(3) 0.03743(19) Uani 1 1 d . . .
Ag4 Ag 0.44682(8) 0.24342(4) 0.12974(3) 0.03476(19) Uani 1 1 d . . .
O1 O 0.5864(7) 0.4102(4) -0.0975(3) 0.0300(10) Uani 1 1 d . . .
O1W O 0.0028(8) 0.1302(5) -0.2543(4) 0.0482(14) Uani 1 1 d . . .
H1WA H -0.0931 0.0916 -0.2363 0.072 Uiso 1 1 d R . .
H1WB H 0.0630 0.0752 -0.2826 0.072 Uiso 1 1 d R . .
O2 O 0.4622(7) 0.3056(4) -0.2142(3) 0.0335(11) Uani 1 1 d . . .
O2W O 0.4001(7) 0.1845(4) 0.2555(3) 0.0384(12) Uani 1 1 d . . .
H2WA H 0.3044 0.2062 0.2886 0.058 Uiso 1 1 d R . .
H2WB H 0.5115 0.2060 0.2858 0.058 Uiso 1 1 d R . .
O3 O 1.3743(7) 0.6071(4) -0.1943(3) 0.0351(11) Uani 1 1 d . . .
O3W O -0.6665(11) -0.0385(6) 0.2113(5) 0.079(2) Uani 1 1 d . . .
H3WA H -0.5976 -0.0630 0.1677 0.118 Uiso 1 1 d R . .
H3WB H -0.6591 0.0322 0.2338 0.118 Uiso 1 1 d R . .
O4 O 1.2551(7) 0.5811(3) -0.0774(3) 0.0271(10) Uani 1 1 d . . .
O4W O -0.4236(14) -0.1071(7) 0.3214(5) 0.100(3) Uani 1 1 d . . .
H4WA H -0.3767 -0.1503 0.3512 0.150 Uiso 1 1 d R . .
H4WB H -0.4479 -0.1559 0.2741 0.150 Uiso 1 1 d R . .
O5 O 0.8341(9) 0.2553(5) -0.4680(3) 0.0492(15) Uani 1 1 d . A .
O6 O 1.0619(15) 0.3987(7) -0.4674(5) 0.045(2) Uani 0.713(13) 1 d P A 1
O7 O 1.181(2) 0.2419(13) -0.4354(7) 0.083(5) Uani 0.713(13) 1 d P A 1
O6A O 1.159(4) 0.3578(19) -0.4575(12) 0.045(2) Uani 0.287(13) 1 d P A 2
O7A O 1.102(6) 0.190(3) -0.4201(19) 0.083(5) Uani 0.287(13) 1 d P A 2
O8 O 0.1896(6) 0.3282(3) 0.0578(3) 0.0257(9) Uani 1 1 d . . .
O9 O -0.0098(7) 0.2448(4) -0.0489(3) 0.0315(11) Uani 1 1 d . . .
O10 O -0.4366(7) -0.1289(4) 0.0857(3) 0.0299(10) Uani 1 1 d . . .
O11 O -0.3519(7) -0.0936(4) -0.0338(3) 0.0288(10) Uani 1 1 d . . .
O12 O -0.2549(8) 0.2431(5) 0.3454(3) 0.0459(14) Uani 1 1 d . . .
O13 O -0.0562(9) 0.0971(4) 0.3447(3) 0.0450(13) Uani 1 1 d . . .
O14 O 0.0913(7) 0.2704(4) 0.3351(3) 0.0384(12) Uani 1 1 d . . .
C20 C -0.6180(12) 0.5246(7) -0.5640(5) 0.0438(18) Uani 1 1 d . . .
H20A H -0.5377 0.5831 -0.5797 0.053 Uiso 1 1 calc R . .
H20B H -0.7394 0.5103 -0.5988 0.053 Uiso 1 1 calc R . .
C18 C -0.5412(12) 0.0884(6) 0.4649(5) 0.0451(19) Uani 1 1 d . . .
H18B H -0.5683 0.1173 0.4163 0.054 Uiso 1 1 calc R . .
H18A H -0.5419 0.1476 0.5138 0.054 Uiso 1 1 calc R . .
C1 C 1.1060(9) 0.4784(5) -0.2020(4) 0.0234(13) Uani 1 1 d . . .
C2 C 0.9360(9) 0.4538(5) -0.1661(4) 0.0254(13) Uani 1 1 d . . .
H2A H 0.9217 0.4844 -0.1101 0.030 Uiso 1 1 calc R . .
C3 C 0.7857(9) 0.3849(5) -0.2110(4) 0.0213(12) Uani 1 1 d . . .
C4 C 0.8117(9) 0.3359(5) -0.2927(4) 0.0227(12) Uani 1 1 d . . .
H4A H 0.7125 0.2872 -0.3238 0.027 Uiso 1 1 calc R . .
C5 C 0.9838(9) 0.3593(5) -0.3277(4) 0.0208(12) Uani 1 1 d . A .
C6 C 1.1306(9) 0.4307(5) -0.2835(4) 0.0228(12) Uani 1 1 d . . .
H6A H 1.2466 0.4468 -0.3085 0.027 Uiso 1 1 calc R . .
C7 C 1.2607(9) 0.5624(5) -0.1547(4) 0.0254(13) Uani 1 1 d . . .
C8 C 0.5966(9) 0.3655(5) -0.1720(4) 0.0219(12) Uani 1 1 d . . .
C9 C -0.0452(9) 0.1924(5) 0.0769(4) 0.0228(13) Uani 1 1 d . . .
C10 C -0.1501(9) 0.0965(5) 0.0394(4) 0.0215(12) Uani 1 1 d . . .
H10A H -0.1638 0.0759 -0.0183 0.026 Uiso 1 1 calc R . .
C11 C -0.2354(9) 0.0304(5) 0.0862(4) 0.0207(12) Uani 1 1 d . . .
C12 C -0.2113(9) 0.0600(5) 0.1708(4) 0.0229(12) Uani 1 1 d . . .
H12B H -0.2662 0.0144 0.2029 0.027 Uiso 1 1 calc R . .
C13 C -0.1071(9) 0.1561(5) 0.2084(4) 0.0217(12) Uani 1 1 d . . .
C14 C -0.0225(9) 0.2228(5) 0.1618(4) 0.0221(12) Uani 1 1 d . . .
H14B H 0.0497 0.2881 0.1875 0.027 Uiso 1 1 calc R . .
C15 C 0.0503(9) 0.2601(5) 0.0241(4) 0.0225(13) Uani 1 1 d . . .
C16 C -0.3494(8) -0.0713(5) 0.0416(4) 0.0210(12) Uani 1 1 d . . .
C17 C -0.6960(12) 0.0021(7) 0.4693(5) 0.0460(19) Uani 1 1 d . . .
H17A H -0.8233 0.0325 0.4747 0.055 Uiso 1 1 calc R . .
H17B H -0.7027 -0.0543 0.4184 0.055 Uiso 1 1 calc R . .
N2 N -0.3461(10) 0.0455(5) 0.4600(4) 0.0443(16) Uani 1 1 d . . .
H2B H -0.3424 -0.0058 0.4124 0.053 Uiso 1 1 calc R . .
H2C H -0.2525 0.1000 0.4592 0.053 Uiso 1 1 calc R . .
C19 C -0.5095(11) 0.4249(6) -0.5780(5) 0.0389(17) Uani 1 1 d . . .
H19A H -0.5953 0.3642 -0.5685 0.047 Uiso 1 1 calc R . .
H19B H -0.4715 0.4068 -0.6352 0.047 Uiso 1 1 calc R . .
N1 N -0.6653(9) 0.5586(5) -0.4772(4) 0.0372(14) Uani 1 1 d . . .
H1A H -0.7252 0.6212 -0.4698 0.045 Uiso 1 1 calc R . .
H1B H -0.7506 0.5072 -0.4643 0.045 Uiso 1 1 calc R . .
S1 S 1.0223(2) 0.30017(15) -0.43101(10) 0.0333(4) Uani 1 1 d . . .
S2 S -0.0790(2) 0.19457(13) 0.31751(9) 0.0230(3) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 O10 2.222(4) 2 ?
Ag1 O4 2.266(4) 2_765 ?
Ag1 O1 2.510(5) . ?
Ag1 Ag4 2.8387(8) . ?
Ag1 Ag3 3.1781(9) . ?
Ag2 O2 2.284(4) . ?
Ag2 O9 2.300(4) . ?
Ag2 O1W 2.354(6) . ?
Ag2 Ag3 2.8694(8) . ?
Ag3 O8 2.208(4) . ?
Ag3 O4 2.336(4) 1_455 ?
Ag3 O1 2.423(5) . ?
Ag3 O1 2.541(5) 2_665 ?
Ag3 Ag3 3.1253(11) 2_665 ?
Ag4 O3 2.242(5) 2_765 ?
Ag4 O11 2.259(4) 2 ?
Ag4 O2W 2.431(5) . ?
Ag4 O8 2.564(4) . ?
O1 C8 1.266(8) . ?
O1 Ag3 2.541(5) 2_665 ?
O1W H1WA 0.9000 . ?
O1W H1WB 0.9000 . ?
O2 C8 1.252(8) . ?
O2W H2WA 0.9000 . ?
O2W H2WB 0.9000 . ?
O3 C7 1.238(8) . ?
O3 Ag4 2.242(5) 2_765 ?
O3W H3WA 0.9000 . ?
O3W H3WB 0.9000 . ?
O4 C7 1.274(8) . ?
O4 Ag1 2.266(4) 2_765 ?
O4 Ag3 2.336(4) 1_655 ?
O4W H4WA 0.9000 . ?
O4W H4WB 0.9000 . ?
O5 S1 1.446(6) . ?
O6 S1 1.538(9) . ?
O7 S1 1.369(11) . ?
O6A S1 1.31(2) . ?
O7A S1 1.61(4) . ?
O8 C15 1.278(8) . ?
O9 C15 1.254(8) . ?
O10 C16 1.293(8) . ?
O10 Ag1 2.222(4) 2 ?
O11 C16 1.240(8) . ?
O11 Ag4 2.259(4) 2 ?
O12 S2 1.454(5) . ?
O13 S2 1.446(5) . ?
O14 S2 1.450(5) . ?
C20 N1 1.487(10) . ?
C20 C19 1.513(11) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C18 N2 1.495(11) . ?
C18 C17 1.499(11) . ?
C18 H18B 0.9900 . ?
C18 H18A 0.9900 . ?
C1 C2 1.389(9) . ?
C1 C6 1.396(9) . ?
C1 C7 1.527(8) . ?
C2 C3 1.396(9) . ?
C2 H2A 0.9500 . ?
C3 C4 1.405(9) . ?
C3 C8 1.513(8) . ?
C4 C5 1.389(9) . ?
C4 H4A 0.9500 . ?
C5 C6 1.391(9) . ?
C5 S1 1.776(6) . ?
C6 H6A 0.9500 . ?
C9 C10 1.390(9) . ?
C9 C14 1.398(9) . ?
C9 C15 1.512(8) . ?
C10 C11 1.397(8) . ?
C10 H10A 0.9500 . ?
C11 C12 1.393(9) . ?
C11 C16 1.504(8) . ?
C12 C13 1.391(9) . ?
C12 H12B 0.9500 . ?
C13 C14 1.398(9) . ?
C13 S2 1.795(6) . ?
C14 H14B 0.9500 . ?
C17 N2 1.488(12) 2_456 ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
N2 C17 1.488(12) 2_456 ?
N2 H2B 0.9200 . ?
N2 H2C 0.9200 . ?
C19 N1 1.473(10) 2_464 ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
N1 C19 1.473(10) 2_464 ?
N1 H1A 0.9200 . ?
N1 H1B 0.9200 . ?

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 O4 166.04(17) 2 2_765 ?
O10 Ag1 O1 104.23(16) 2 . ?
O4 Ag1 O1 80.39(15) 2_765 . ?
O10 Ag1 Ag4 89.81(12) 2 . ?
O4 Ag1 Ag4 77.61(12) 2_765 . ?
O1 Ag1 Ag4 131.69(11) . . ?
O10 Ag1 Ag3 95.11(13) 2 . ?
O4 Ag1 Ag3 77.91(12) 2_765 . ?
O1 Ag1 Ag3 48.69(10) . . ?
Ag4 Ag1 Ag3 84.68(2) . . ?
O2 Ag2 O9 158.00(17) . . ?
O2 Ag2 O1W 106.13(19) . . ?
O9 Ag2 O1W 95.87(19) . . ?
O2 Ag2 Ag3 87.41(12) . . ?
O9 Ag2 Ag3 71.50(12) . . ?
O1W Ag2 Ag3 159.46(14) . . ?
O8 Ag3 O4 148.69(17) . 1_455 ?
O8 Ag3 O1 124.44(17) . . ?
O4 Ag3 O1 86.80(16) 1_455 . ?
O8 Ag3 O1 94.97(15) . 2_665 ?
O4 Ag3 O1 78.47(15) 1_455 2_665 ?
O1 Ag3 O1 101.99(13) . 2_665 ?
O8 Ag3 Ag2 84.92(11) . . ?
O4 Ag3 Ag2 103.78(10) 1_455 . ?
O1 Ag3 Ag2 74.74(11) . . ?
O1 Ag3 Ag2 175.79(11) 2_665 . ?
O8 Ag3 Ag3 120.58(12) . 2_665 ?
O4 Ag3 Ag3 78.13(11) 1_455 2_665 ?
O1 Ag3 Ag3 52.67(11) . 2_665 ?
O1 Ag3 Ag3 49.31(10) 2_665 2_665 ?
Ag2 Ag3 Ag3 127.35(3) . 2_665 ?
O8 Ag3 Ag1 73.75(12) . . ?
O4 Ag3 Ag1 137.51(12) 1_455 . ?
O1 Ag3 Ag1 51.11(12) . . ?
O1 Ag3 Ag1 102.27(11) 2_665 . ?
Ag2 Ag3 Ag1 73.64(2) . . ?
Ag3 Ag3 Ag1 71.71(2) 2_665 . ?
O3 Ag4 O11 159.56(17) 2_765 2 ?
O3 Ag4 O2W 92.45(18) 2_765 . ?
O11 Ag4 O2W 102.37(17) 2 . ?
O3 Ag4 O8 98.99(17) 2_765 . ?
O11 Ag4 O8 84.32(15) 2 . ?
O2W Ag4 O8 124.29(16) . . ?
O3 Ag4 Ag1 87.16(12) 2_765 . ?
O11 Ag4 Ag1 74.04(12) 2 . ?
O2W Ag4 Ag1 159.66(13) . . ?
O8 Ag4 Ag1 75.74(10) . . ?
C8 O1 Ag3 127.8(4) . . ?
C8 O1 Ag1 108.3(4) . . ?
Ag3 O1 Ag1 80.20(13) . . ?
C8 O1 Ag3 147.7(4) . 2_665 ?
Ag3 O1 Ag3 78.01(13) . 2_665 ?
Ag1 O1 Ag3 93.94(15) . 2_665 ?
Ag2 O1W H1WA 115.4 . . ?
Ag2 O1W H1WB 115.9 . . ?
H1WA O1W H1WB 97.8 . . ?
C8 O2 Ag2 119.4(4) . . ?
Ag4 O2W H2WA 122.3 . . ?
Ag4 O2W H2WB 105.4 . . ?
H2WA O2W H2WB 105.8 . . ?
C7 O3 Ag4 118.6(4) . 2_765 ?
H3WA O3W H3WB 119.7 . . ?
C7 O4 Ag1 128.1(4) . 2_765 ?
C7 O4 Ag3 115.1(4) . 1_655 ?
Ag1 O4 Ag3 106.69(17) 2_765 1_655 ?
H4WA O4W H4WB 98.2 . . ?
C15 O8 Ag3 113.7(4) . . ?
C15 O8 Ag4 112.2(4) . . ?
Ag3 O8 Ag4 116.40(18) . . ?
C15 O9 Ag2 122.5(4) . . ?
C16 O10 Ag1 114.7(4) . 2 ?
C16 O11 Ag4 133.5(4) . 2 ?
N1 C20 C19 111.0(6) . . ?
N1 C20 H20A 109.4 . . ?
C19 C20 H20A 109.4 . . ?
N1 C20 H20B 109.4 . . ?
C19 C20 H20B 109.4 . . ?
H20A C20 H20B 108.0 . . ?
N2 C18 C17 110.7(7) . . ?
N2 C18 H18B 109.5 . . ?
C17 C18 H18B 109.5 . . ?
N2 C18 H18A 109.5 . . ?
C17 C18 H18A 109.5 . . ?
H18B C18 H18A 108.1 . . ?
C2 C1 C6 119.7(6) . . ?
C2 C1 C7 120.5(6) . . ?
C6 C1 C7 119.7(6) . . ?
C1 C2 C3 121.0(6) . . ?
C1 C2 H2A 119.5 . . ?
C3 C2 H2A 119.5 . . ?
C2 C3 C4 119.1(6) . . ?
C2 C3 C8 119.9(5) . . ?
C4 C3 C8 120.9(5) . . ?
C5 C4 C3 119.5(6) . . ?
C5 C4 H4A 120.3 . . ?
C3 C4 H4A 120.3 . . ?
C4 C5 C6 121.2(5) . . ?
C4 C5 S1 121.1(5) . . ?
C6 C5 S1 117.7(5) . . ?
C5 C6 C1 119.4(6) . . ?
C5 C6 H6A 120.3 . . ?
C1 C6 H6A 120.3 . . ?
O3 C7 O4 126.6(6) . . ?
O3 C7 C1 117.8(6) . . ?
O4 C7 C1 115.6(6) . . ?
O2 C8 O1 124.2(6) . . ?
O2 C8 C3 118.7(5) . . ?
O1 C8 C3 117.1(5) . . ?
C10 C9 C14 120.2(5) . . ?
C10 C9 C15 118.8(6) . . ?
C14 C9 C15 121.0(5) . . ?
C9 C10 C11 120.3(5) . . ?
C9 C10 H10A 119.8 . . ?
C11 C10 H10A 119.8 . . ?
C12 C11 C10 119.6(5) . . ?
C12 C11 C16 123.0(5) . . ?
C10 C11 C16 117.4(5) . . ?
C13 C12 C11 120.2(6) . . ?
C13 C12 H12B 119.9 . . ?
C11 C12 H12B 119.9 . . ?
C12 C13 C14 120.4(5) . . ?
C12 C13 S2 120.0(5) . . ?
C14 C13 S2 119.6(5) . . ?
C13 C14 C9 119.3(5) . . ?
C13 C14 H14B 120.3 . . ?
C9 C14 H14B 120.3 . . ?
O9 C15 O8 124.9(5) . . ?
O9 C15 C9 118.4(5) . . ?
O8 C15 C9 116.6(5) . . ?
O11 C16 O10 125.2(6) . . ?
O11 C16 C11 118.0(5) . . ?
O10 C16 C11 116.8(5) . . ?
N2 C17 C18 110.4(7) 2_456 . ?
N2 C17 H17A 109.6 2_456 . ?
C18 C17 H17A 109.6 . . ?
N2 C17 H17B 109.6 2_456 . ?
C18 C17 H17B 109.6 . . ?
H17A C17 H17B 108.1 . . ?
C17 N2 C18 110.8(6) 2_456 . ?
C17 N2 H2B 109.5 2_456 . ?
C18 N2 H2B 109.5 . . ?
C17 N2 H2C 109.5 2_456 . ?
C18 N2 H2C 109.5 . . ?
H2B N2 H2C 108.1 . . ?
N1 C19 C20 110.7(6) 2_464 . ?
N1 C19 H19A 109.5 2_464 . ?
C20 C19 H19A 109.5 . . ?
N1 C19 H19B 109.5 2_464 . ?
C20 C19 H19B 109.5 . . ?
H19A C19 H19B 108.1 . . ?
C19 N1 C20 111.9(6) 2_464 . ?
C19 N1 H1A 109.2 2_464 . ?
C20 N1 H1A 109.2 . . ?
C19 N1 H1B 109.2 2_464 . ?
C20 N1 H1B 109.2 . . ?
H1A N1 H1B 107.9 . . ?
O7 S1 O6A 74.9(13) . . ?
O6A S1 O7A 109.6(18) . . ?
O7 S1 O5 122.7(8) . . ?
O6A S1 O5 130.2(11) . . ?
O7A S1 O5 97.2(16) . . ?
O7 S1 O6 110.9(7) . . ?
O7A S1 O6 144.8(13) . . ?
O5 S1 O6 102.8(5) . . ?
O7 S1 C5 109.9(5) . . ?
O6A S1 C5 109.6(9) . . ?
O7A S1 C5 99.6(11) . . ?
O5 S1 C5 106.1(3) . . ?
O6 S1 C5 102.2(4) . . ?
O13 S2 O14 113.5(3) . . ?
O13 S2 O12 112.3(4) . . ?
O14 S2 O12 112.4(3) . . ?
O13 S2 C13 106.0(3) . . ?
O14 S2 C13 105.4(3) . . ?
O12 S2 C13 106.4(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
O2 Ag2 Ag3 O8 -143.89(18) . . . . ?
O9 Ag2 Ag3 O8 29.73(17) . . . . ?
O1W Ag2 Ag3 O8 83.9(4) . . . . ?
O2 Ag2 Ag3 O4 66.63(18) . . . 1_455 ?
O9 Ag2 Ag3 O4 -119.74(17) . . . 1_455 ?
O1W Ag2 Ag3 O4 -65.6(4) . . . 1_455 ?
O2 Ag2 Ag3 O1 -16.10(18) . . . . ?
O9 Ag2 Ag3 O1 157.53(18) . . . . ?
O1W Ag2 Ag3 O1 -148.3(5) . . . . ?
O2 Ag2 Ag3 Ag3 -18.82(14) . . . 2_665 ?
O9 Ag2 Ag3 Ag3 154.81(13) . . . 2_665 ?
O1W Ag2 Ag3 Ag3 -151.0(4) . . . 2_665 ?
O2 Ag2 Ag3 Ag1 -69.36(13) . . . . ?
O9 Ag2 Ag3 Ag1 104.26(13) . . . . ?
O1W Ag2 Ag3 Ag1 158.4(4) . . . . ?
O10 Ag1 Ag3 O8 68.27(17) 2 . . . ?
O4 Ag1 Ag3 O8 -99.49(17) 2_765 . . . ?
O1 Ag1 Ag3 O8 172.75(18) . . . . ?
Ag4 Ag1 Ag3 O8 -21.06(12) . . . . ?
O10 Ag1 Ag3 O4 -113.8(2) 2 . . 1_455 ?
O4 Ag1 Ag3 O4 78.4(2) 2_765 . . 1_455 ?
O1 Ag1 Ag3 O4 -9.3(2) . . . 1_455 ?
Ag4 Ag1 Ag3 O4 156.85(15) . . . 1_455 ?
O10 Ag1 Ag3 O1 -104.47(18) 2 . . . ?
O4 Ag1 Ag3 O1 87.76(18) 2_765 . . . ?
Ag4 Ag1 Ag3 O1 166.20(14) . . . . ?
O10 Ag1 Ag3 O1 159.93(16) 2 . . 2_665 ?
O4 Ag1 Ag3 O1 -7.84(15) 2_765 . . 2_665 ?
O1 Ag1 Ag3 O1 -95.60(16) . . . 2_665 ?
Ag4 Ag1 Ag3 O1 70.60(10) . . . 2_665 ?
O10 Ag1 Ag3 Ag2 -21.12(12) 2 . . . ?
O4 Ag1 Ag3 Ag2 171.11(12) 2_765 . . . ?
O1 Ag1 Ag3 Ag2 83.36(14) . . . . ?
Ag4 Ag1 Ag3 Ag2 -110.449(19) . . . . ?
O10 Ag1 Ag3 Ag3 -160.84(12) 2 . . 2_665 ?
O4 Ag1 Ag3 Ag3 31.39(12) 2_765 . . 2_665 ?
O1 Ag1 Ag3 Ag3 -56.37(14) . . . 2_665 ?
Ag4 Ag1 Ag3 Ag3 109.83(2) . . . 2_665 ?
O10 Ag1 Ag4 O3 -177.33(18) 2 . . 2_765 ?
O4 Ag1 Ag4 O3 -3.42(18) 2_765 . . 2_765 ?
O1 Ag1 Ag4 O3 -68.3(2) . . . 2_765 ?
Ag3 Ag1 Ag4 O3 -82.18(14) . . . 2_765 ?
O10 Ag1 Ag4 O11 10.77(18) 2 . . 2 ?
O4 Ag1 Ag4 O11 -175.32(17) 2_765 . . 2 ?
O1 Ag1 Ag4 O11 119.81(19) . . . 2 ?
Ag3 Ag1 Ag4 O11 105.92(12) . . . 2 ?
O10 Ag1 Ag4 O2W 93.3(4) 2 . . . ?
O4 Ag1 Ag4 O2W -92.8(4) 2_765 . . . ?
O1 Ag1 Ag4 O2W -157.7(4) . . . . ?
Ag3 Ag1 Ag4 O2W -171.6(4) . . . . ?
O10 Ag1 Ag4 O8 -77.31(16) 2 . . . ?
O4 Ag1 Ag4 O8 96.61(15) 2_765 . . . ?
O1 Ag1 Ag4 O8 31.73(18) . . . . ?
Ag3 Ag1 Ag4 O8 17.84(10) . . . . ?
O8 Ag3 O1 C8 97.1(5) . . . . ?
O4 Ag3 O1 C8 -80.7(5) 1_455 . . . ?
O1 Ag3 O1 C8 -158.2(6) 2_665 . . . ?
Ag2 Ag3 O1 C8 24.5(5) . . . . ?
Ag3 Ag3 O1 C8 -158.2(6) 2_665 . . . ?
Ag1 Ag3 O1 C8 105.6(5) . . . . ?
O8 Ag3 O1 Ag1 -8.5(2) . . . . ?
O4 Ag3 O1 Ag1 173.69(14) 1_455 . . . ?
O1 Ag3 O1 Ag1 96.20(13) 2_665 . . . ?
Ag2 Ag3 O1 Ag1 -81.08(9) . . . . ?
Ag3 Ag3 O1 Ag1 96.20(13) 2_665 . . . ?
O8 Ag3 O1 Ag3 -104.65(17) . . . 2_665 ?
O4 Ag3 O1 Ag3 77.49(13) 1_455 . . 2_665 ?
O1 Ag3 O1 Ag3 0.0 2_665 . . 2_665 ?
Ag2 Ag3 O1 Ag3 -177.28(12) . . . 2_665 ?
Ag1 Ag3 O1 Ag3 -96.20(13) . . . 2_665 ?
O10 Ag1 O1 C8 -42.5(4) 2 . . . ?
O4 Ag1 O1 C8 151.0(4) 2_765 . . . ?
Ag4 Ag1 O1 C8 -145.2(3) . . . . ?
Ag3 Ag1 O1 C8 -126.7(4) . . . . ?
O10 Ag1 O1 Ag3 84.23(16) 2 . . . ?
O4 Ag1 O1 Ag3 -82.30(15) 2_765 . . . ?
Ag4 Ag1 O1 Ag3 -18.55(19) . . . . ?
O10 Ag1 O1 Ag3 161.34(16) 2 . . 2_665 ?
O4 Ag1 O1 Ag3 -5.20(15) 2_765 . . 2_665 ?
Ag4 Ag1 O1 Ag3 58.56(18) . . . 2_665 ?
Ag3 Ag1 O1 Ag3 77.11(13) . . . 2_665 ?
O9 Ag2 O2 C8 4.6(8) . . . . ?
O1W Ag2 O2 C8 -174.7(5) . . . . ?
Ag3 Ag2 O2 C8 21.0(5) . . . . ?
O4 Ag3 O8 C15 76.1(5) 1_455 . . . ?
O1 Ag3 O8 C15 -99.7(4) . . . . ?
O1 Ag3 O8 C15 152.1(4) 2_665 . . . ?
Ag2 Ag3 O8 C15 -32.2(4) . . . . ?
Ag3 Ag3 O8 C15 -163.1(4) 2_665 . . . ?
Ag1 Ag3 O8 C15 -106.6(4) . . . . ?
O4 Ag3 O8 Ag4 -151.0(2) 1_455 . . . ?
O1 Ag3 O8 Ag4 33.1(3) . . . . ?
O1 Ag3 O8 Ag4 -75.1(2) 2_665 . . . ?
Ag2 Ag3 O8 Ag4 100.66(17) . . . . ?
Ag3 Ag3 O8 Ag4 -30.3(2) 2_665 . . . ?
Ag1 Ag3 O8 Ag4 26.24(14) . . . . ?
O3 Ag4 O8 C15 -171.2(4) 2_765 . . . ?
O11 Ag4 O8 C15 29.2(4) 2 . . . ?
O2W Ag4 O8 C15 -71.9(4) . . . . ?
Ag1 Ag4 O8 C15 104.1(4) . . . . ?
O3 Ag4 O8 Ag3 55.4(2) 2_765 . . . ?
O11 Ag4 O8 Ag3 -104.3(2) 2 . . . ?
O2W Ag4 O8 Ag3 154.58(19) . . . . ?
Ag1 Ag4 O8 Ag3 -29.36(16) . . . . ?
O2 Ag2 O9 C15 -28.7(8) . . . . ?
O1W Ag2 O9 C15 150.7(5) . . . . ?
Ag3 Ag2 O9 C15 -45.9(4) . . . . ?
C6 C1 C2 C3 -2.3(10) . . . . ?
C7 C1 C2 C3 173.8(6) . . . . ?
C1 C2 C3 C4 3.1(9) . . . . ?
C1 C2 C3 C8 -175.7(6) . . . . ?
C2 C3 C4 C5 -1.8(9) . . . . ?
C8 C3 C4 C5 177.0(6) . . . . ?
C3 C4 C5 C6 -0.3(9) . . . . ?
C3 C4 C5 S1 -179.5(5) . . . . ?
C4 C5 C6 C1 1.1(9) . . . . ?
S1 C5 C6 C1 -179.7(5) . . . . ?
C2 C1 C6 C5 0.2(9) . . . . ?
C7 C1 C6 C5 -176.0(6) . . . . ?
Ag4 O3 C7 O4 -12.7(9) 2_765 . . . ?
Ag4 O3 C7 C1 165.2(4) 2_765 . . . ?
Ag1 O4 C7 O3 19.2(10) 2_765 . . . ?
Ag3 O4 C7 O3 -121.1(6) 1_655 . . . ?
Ag1 O4 C7 C1 -158.7(4) 2_765 . . . ?
Ag3 O4 C7 C1 60.9(6) 1_655 . . . ?
C2 C1 C7 O3 -156.5(6) . . . . ?
C6 C1 C7 O3 19.6(9) . . . . ?
C2 C1 C7 O4 21.7(9) . . . . ?
C6 C1 C7 O4 -162.2(6) . . . . ?
Ag2 O2 C8 O1 -8.6(9) . . . . ?
Ag2 O2 C8 C3 170.1(4) . . . . ?
Ag3 O1 C8 O2 -16.3(9) . . . . ?
Ag1 O1 C8 O2 75.3(7) . . . . ?
Ag3 O1 C8 O2 -153.6(6) 2_665 . . . ?
Ag3 O1 C8 C3 164.9(4) . . . . ?
Ag1 O1 C8 C3 -103.4(5) . . . . ?
Ag3 O1 C8 C3 27.7(11) 2_665 . . . ?
C2 C3 C8 O2 178.2(6) . . . . ?
C4 C3 C8 O2 -0.7(9) . . . . ?
C2 C3 C8 O1 -3.1(9) . . . . ?
C4 C3 C8 O1 178.1(6) . . . . ?
C14 C9 C10 C11 0.7(9) . . . . ?
C15 C9 C10 C11 178.1(5) . . . . ?
C9 C10 C11 C12 -1.4(9) . . . . ?
C9 C10 C11 C16 179.1(5) . . . . ?
C10 C11 C12 C13 1.6(9) . . . . ?
C16 C11 C12 C13 -178.8(6) . . . . ?
C11 C12 C13 C14 -1.3(9) . . . . ?
C11 C12 C13 S2 179.2(5) . . . . ?
C12 C13 C14 C9 0.6(9) . . . . ?
S2 C13 C14 C9 -179.9(5) . . . . ?
C10 C9 C14 C13 -0.3(9) . . . . ?
C15 C9 C14 C13 -177.7(5) . . . . ?
Ag2 O9 C15 O8 36.8(8) . . . . ?
Ag2 O9 C15 C9 -142.1(4) . . . . ?
Ag3 O8 C15 O9 7.2(8) . . . . ?
Ag4 O8 C15 O9 -127.6(6) . . . . ?
Ag3 O8 C15 C9 -173.8(4) . . . . ?
Ag4 O8 C15 C9 51.4(6) . . . . ?
C10 C9 C15 O9 19.6(9) . . . . ?
C14 C9 C15 O9 -163.1(6) . . . . ?
C10 C9 C15 O8 -159.5(5) . . . . ?
C14 C9 C15 O8 17.9(8) . . . . ?
Ag4 O11 C16 O10 -12.7(10) 2 . . . ?
Ag4 O11 C16 C11 167.0(4) 2 . . . ?
Ag1 O10 C16 O11 -4.5(8) 2 . . . ?
Ag1 O10 C16 C11 175.8(4) 2 . . . ?
C12 C11 C16 O11 -175.5(6) . . . . ?
C10 C11 C16 O11 4.0(8) . . . . ?
C12 C11 C16 O10 4.2(9) . . . . ?
C10 C11 C16 O10 -176.3(5) . . . . ?
N2 C18 C17 N2 56.9(9) . . . 2_456 ?
C17 C18 N2 C17 -57.2(10) . . . 2_456 ?
N1 C20 C19 N1 -55.2(9) . . . 2_464 ?
C19 C20 N1 C19 55.9(9) . . . 2_464 ?
C4 C5 S1 O7 -119.9(10) . . . . ?
C6 C5 S1 O7 60.9(10) . . . . ?
C4 C5 S1 O6A 159.6(15) . . . . ?
C6 C5 S1 O6A -19.7(15) . . . . ?
C4 C5 S1 O7A -85.6(17) . . . . ?
C6 C5 S1 O7A 95.2(17) . . . . ?
C4 C5 S1 O5 14.9(6) . . . . ?
C6 C5 S1 O5 -164.4(5) . . . . ?
C4 C5 S1 O6 122.2(6) . . . . ?
C6 C5 S1 O6 -57.0(6) . . . . ?
C12 C13 S2 O13 37.2(6) . . . . ?
C14 C13 S2 O13 -142.3(5) . . . . ?
C12 C13 S2 O14 157.9(5) . . . . ?
C14 C13 S2 O14 -21.6(6) . . . . ?
C12 C13 S2 O12 -82.6(6) . . . . ?
C14 C13 S2 O12 97.9(6) . . . . ?

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 H1A O6 0.92 2.50 3.001(13) 114.5 2_564
N1 H1B O6 0.92 1.82 2.721(10) 164.9 1_355
N1 H1B O6A 0.92 2.00 2.86(2) 154.4 1_355
N2 H2B O4W 0.92 1.82 2.704(10) 160.5 .
N2 H2C O5 0.92 2.13 2.870(9) 136.8 1_456
N2 H2C O13 0.92 2.39 2.981(8) 121.6 .
O1W H1WA O3W 0.90 1.85 2.723(9) 163.3 2_455
O1W H1WB O13 0.90 2.23 3.036(8) 149.6 2
O2W H2WA O14 0.90 1.86 2.735(7) 164.5 .
O2W H2WB O12 0.90 1.85 2.747(7) 176.9 1_655
O3W H3WA O10 0.90 1.90 2.790(8) 171.1 .
O3W H3WB O2W 0.90 1.92 2.796(9) 163.6 1_455
O4W H4WA O7A 0.90 2.34 3.12(3) 145.5 2_655
O4W H4WB O2 0.90 1.96 2.767(8) 148.9 2

_diffrn_measured_fraction_theta_max 0.972
_diffrn_reflns_theta_full        24.95
_diffrn_measured_fraction_theta_full 0.972
_refine_diff_density_max         0.945
_refine_diff_density_min         -1.255
_refine_diff_density_rms         0.300

#===END OF 1

## Crystallographic Data for compound 2 ( CCDC 680835 )

data_2
_database_code_depnum_ccdc_archive 'CCDC 680835'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C18 H12 Ag N2 O7 S, C10 H8 Ag N2, 2(H2 O)'
_chemical_formula_sum            'C28 H24 Ag2 N4 O9 S'
_chemical_formula_weight         808.31

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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/c
_symmetry_space_group_name_Hall  '-P 2yc'

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

_cell_length_a                   18.3027(5)
_cell_length_b                   11.4073(1)
_cell_length_c                   13.7081(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.440(2)
_cell_angle_gamma                90.00
_cell_volume                     2859.44(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    273(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       Needle
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.878
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1608
_exptl_absorpt_coefficient_mu    1.505
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.869
_exptl_absorpt_correction_T_max  0.919
_exptl_absorpt_process_details   'CrystalClear (Rigaku Corp., 2000)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      273(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Mercury70 (2x2 bin mode)'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            9514
_diffrn_reflns_av_R_equivalents  0.0532
_diffrn_reflns_av_sigmaI/netI    0.0767
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.79
_diffrn_reflns_theta_max         25.04
_reflns_number_total             4955
_reflns_number_gt                3054
_reflns_threshold_expression     >2sigma(I)

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

_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)+(0.0743P)²+11.9477P] 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         4955
_refine_ls_number_parameters     397
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1165
_refine_ls_R_factor_gt           0.0662
_refine_ls_wR_factor_ref         0.1864
_refine_ls_wR_factor_gt          0.1508
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_restrained_S_all      1.003
_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 0.04784(4) 0.33244(5) 0.16224(5) 0.0561(3) Uani 1 1 d . . .
Ag2 Ag 0.54653(4) 0.17656(5) 0.64220(6) 0.0562(3) Uani 1 1 d . . .
O1 O 0.1162(4) 0.3719(6) 0.3166(5) 0.079(2) Uani 1 1 d . . .
O1W O 0.7904(4) -0.0255(7) 1.1531(6) 0.093(2) Uani 1 1 d . . .
H1WA H 0.7674 -0.0661 1.1991 0.139 Uiso 1 1 d R . .
H1WB H 0.7986 0.0515 1.1626 0.139 Uiso 1 1 d R . .
O2 O 0.1799(4) 0.2071(6) 0.3092(5) 0.0712(19) Uani 1 1 d . . .
O2W O 0.7104(5) 0.8925(7) 0.9943(7) 0.115(3) Uani 1 1 d . . .
H2WB H 0.7159 0.9005 0.9297 0.172 Uiso 1 1 d R . .
H2WA H 0.7505 0.8925 1.0347 0.172 Uiso 1 1 d R . .
O3 O 0.2262(5) 0.6880(6) 0.5189(6) 0.099(3) Uani 1 1 d . . .
H3 H 0.2362 0.7556 0.5346 0.148 Uiso 1 1 calc R . .
O4 O 0.3079(4) 0.6472(6) 0.6387(6) 0.081(2) Uani 1 1 d . . .
O5 O 0.2865(4) 0.0713(5) 0.6397(6) 0.087(3) Uani 1 1 d . . .
O6 O 0.3958(4) 0.1808(7) 0.6407(9) 0.130(4) Uani 1 1 d . . .
O7 O 0.3083(7) 0.2153(8) 0.7583(6) 0.139(4) Uani 1 1 d . . .
N1 N 0.0408(4) 0.1460(6) 0.1291(5) 0.0446(17) Uani 1 1 d . . .
N2 N 0.0438(4) -0.4755(6) 0.1418(5) 0.0437(17) Uani 1 1 d . . .
N3 N 0.5461(4) -0.0122(6) 0.6376(5) 0.0457(17) Uani 1 1 d . . .
N4 N 0.5468(4) -0.6348(6) 0.6268(5) 0.0460(17) Uani 1 1 d . . .
C1 C 0.2066(4) 0.3378(7) 0.4397(6) 0.0393(18) Uani 1 1 d . . .
C2 C 0.2114(4) 0.4554(7) 0.4663(6) 0.045(2) Uani 1 1 d . . .
H2A H 0.1879 0.5117 0.4273 0.053 Uiso 1 1 calc R . .
C3 C 0.2511(4) 0.4901(7) 0.5506(6) 0.0428(19) Uani 1 1 d . . .
C4 C 0.2843(4) 0.4034(7) 0.6093(6) 0.0394(19) Uani 1 1 d . . .
H4A H 0.3101 0.4247 0.6664 0.047 Uiso 1 1 calc R . .
C5 C 0.2791(4) 0.2874(6) 0.5836(6) 0.0369(18) Uani 1 1 d . . .
C6 C 0.2414(4) 0.2532(6) 0.4989(5) 0.0376(19) Uani 1 1 d . . .
H6A H 0.2391 0.1745 0.4815 0.045 Uiso 1 1 calc R . .
C7 C 0.1652(5) 0.3022(7) 0.3464(6) 0.047(2) Uani 1 1 d . . .
C8 C 0.2649(6) 0.6157(8) 0.5736(8) 0.059(3) Uani 1 1 d . . .
C9 C -0.0213(5) 0.0836(7) 0.1286(6) 0.042(2) Uani 1 1 d . . .
H9A H -0.0653 0.1240 0.1299 0.051 Uiso 1 1 calc R . .
C10 C -0.0234(4) -0.0361(7) 0.1263(5) 0.0383(18) Uani 1 1 d . . .
H10A H -0.0683 -0.0743 0.1267 0.046 Uiso 1 1 calc R . .
C11 C 0.0403(5) -0.1016(7) 0.1234(5) 0.0376(19) Uani 1 1 d . . .
C12 C 0.1046(5) -0.0360(7) 0.1205(6) 0.0412(19) Uani 1 1 d . . .
H12A H 0.1493 -0.0743 0.1168 0.049 Uiso 1 1 calc R . .
C13 C 0.1028(5) 0.0838(7) 0.1231(6) 0.046(2) Uani 1 1 d . . .
H13A H 0.1468 0.1243 0.1205 0.055 Uiso 1 1 calc R . .
C14 C 0.0999(5) -0.4093(7) 0.1784(6) 0.045(2) Uani 1 1 d . . .
H14A H 0.1400 -0.4471 0.2081 0.054 Uiso 1 1 calc R . .
C15 C 0.1005(5) -0.2895(7) 0.1737(6) 0.044(2) Uani 1 1 d . . .
H15A H 0.1398 -0.2475 0.2011 0.053 Uiso 1 1 calc R . .
C16 C 0.0411(4) -0.2302(7) 0.1270(5) 0.0375(18) Uani 1 1 d . . .
C17 C -0.0167(4) -0.2987(7) 0.0907(6) 0.0403(19) Uani 1 1 d . . .
H17A H -0.0577 -0.2634 0.0611 0.048 Uiso 1 1 calc R . .
C18 C -0.0133(5) -0.4169(7) 0.0986(6) 0.047(2) Uani 1 1 d . . .
H18A H -0.0525 -0.4605 0.0728 0.057 Uiso 1 1 calc R . .
C19 C 0.6054(5) -0.0751(7) 0.6618(7) 0.052(2) Uani 1 1 d . . .
H19A H 0.6479 -0.0350 0.6809 0.063 Uiso 1 1 calc R . .
C20 C 0.6078(4) -0.1951(7) 0.6602(7) 0.048(2) Uani 1 1 d . . .
H20A H 0.6508 -0.2342 0.6785 0.058 Uiso 1 1 calc R . .
C21 C 0.5455(4) -0.2581(6) 0.6313(5) 0.0354(18) Uani 1 1 d . . .
C22 C 0.4833(5) -0.1931(7) 0.6049(6) 0.045(2) Uani 1 1 d . . .
H22A H 0.4405 -0.2309 0.5836 0.054 Uiso 1 1 calc R . .
C23 C 0.4856(5) -0.0726(7) 0.6105(6) 0.047(2) Uani 1 1 d . . .
H23A H 0.4431 -0.0309 0.5946 0.057 Uiso 1 1 calc R . .
C24 C 0.4848(5) -0.5738(7) 0.6240(6) 0.045(2) Uani 1 1 d . . .
H24A H 0.4410 -0.6154 0.6209 0.054 Uiso 1 1 calc R . .
C25 C 0.4810(5) -0.4528(6) 0.6253(6) 0.042(2) Uani 1 1 d . . .
H25A H 0.4359 -0.4152 0.6246 0.050 Uiso 1 1 calc R . .
C26 C 0.5451(4) -0.3879(6) 0.6277(6) 0.0382(19) Uani 1 1 d . . .
C27 C 0.6102(5) -0.4514(7) 0.6293(6) 0.046(2) Uani 1 1 d . . .
H27A H 0.6547 -0.4121 0.6305 0.055 Uiso 1 1 calc R . .
C28 C 0.6089(5) -0.5720(7) 0.6291(6) 0.046(2) Uani 1 1 d . . .
H28A H 0.6532 -0.6119 0.6306 0.055 Uiso 1 1 calc R . .
S1 S 0.32227(13) 0.17929(18) 0.65995(18) 0.0510(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 N1 2.178(7) . ?
Ag1 N2 2.209(7) 1_565 ?
Ag1 O1 2.453(7) . ?
Ag1 Ag1 3.0356(14) 2 ?
Ag2 N3 2.154(7) . ?
Ag2 N4 2.162(7) 1_565 ?
Ag2 O6 2.758(7) . ?
O1 C7 1.254(10) . ?
O1W H1WA 0.9000 . ?
O1W H1WB 0.9000 . ?
O2 C7 1.234(10) . ?
O2W H2WB 0.9000 . ?
O2W H2WA 0.9000 . ?
O3 C8 1.304(11) . ?
O3 H3 0.8200 . ?
O4 C8 1.217(11) . ?
O5 S1 1.417(6) . ?
O6 S1 1.383(8) . ?
O7 S1 1.443(8) . ?
N1 C9 1.340(10) . ?
N1 C13 1.344(10) . ?
N2 C14 1.353(10) . ?
N2 C18 1.355(10) . ?
N2 Ag1 2.209(7) 1_545 ?
N3 C19 1.332(11) . ?
N3 C23 1.343(10) . ?
N4 C24 1.331(10) . ?
N4 C28 1.343(10) . ?
N4 Ag2 2.162(7) 1_545 ?
C1 C2 1.392(11) . ?
C1 C6 1.397(10) . ?
C1 C7 1.514(11) . ?
C2 C3 1.396(11) . ?
C2 H2A 0.9300 . ?
C3 C4 1.396(10) . ?
C3 C8 1.486(12) . ?
C4 C5 1.371(10) . ?
C4 H4A 0.9300 . ?
C5 C6 1.382(10) . ?
C5 S1 1.781(8) . ?
C6 H6A 0.9300 . ?
C9 C10 1.367(10) . ?
C9 H9A 0.9300 . ?
C10 C11 1.387(11) . ?
C10 H10A 0.9300 . ?
C11 C12 1.396(11) . ?
C11 C16 1.468(11) . ?
C12 C13 1.367(10) . ?
C12 H12A 0.9300 . ?
C13 H13A 0.9300 . ?
C14 C15 1.368(11) . ?
C14 H14A 0.9300 . ?
C15 C16 1.410(11) . ?
C15 H15A 0.9300 . ?
C16 C17 1.390(11) . ?
C17 C18 1.353(10) . ?
C17 H17A 0.9300 . ?
C18 H18A 0.9300 . ?
C19 C20 1.370(11) . ?
C19 H19A 0.9300 . ?
C20 C21 1.392(11) . ?
C20 H20A 0.9300 . ?
C21 C22 1.393(11) . ?
C21 C26 1.481(11) . ?
C22 C23 1.378(11) . ?
C22 H22A 0.9300 . ?
C23 H23A 0.9300 . ?
C24 C25 1.383(11) . ?
C24 H24A 0.9300 . ?
C25 C26 1.387(11) . ?
C25 H25A 0.9300 . ?
C26 C27 1.394(11) . ?
C27 C28 1.376(10) . ?
C27 H27A 0.9300 . ?
C28 H28A 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
N1 Ag1 N2 160.2(2) . 1_565 ?
N1 Ag1 O1 112.5(2) . . ?
N2 Ag1 O1 86.6(2) 1_565 . ?
N1 Ag1 Ag1 97.70(18) . 2 ?
N2 Ag1 Ag1 94.77(16) 1_565 2 ?
O1 Ag1 Ag1 66.8(2) . 2 ?
N3 Ag2 N4 172.7(3) . 1_565 ?
N3 Ag2 O6 90.8(3) . . ?
N4 Ag2 O6 89.3(3) 1_565 . ?
C7 O1 Ag1 119.8(6) . . ?
H1WA O1W H1WB 118.8 . . ?
H2WB O2W H2WA 119.0 . . ?
C8 O3 H3 109.5 . . ?
S1 O6 Ag2 168.5(7) . . ?
C9 N1 C13 115.9(7) . . ?
C9 N1 Ag1 124.2(6) . . ?
C13 N1 Ag1 119.1(6) . . ?
C14 N2 C18 116.4(7) . . ?
C14 N2 Ag1 119.1(6) . 1_545 ?
C18 N2 Ag1 124.5(6) . 1_545 ?
C19 N3 C23 116.5(7) . . ?
C19 N3 Ag2 122.0(6) . . ?
C23 N3 Ag2 121.6(6) . . ?
C24 N4 C28 116.2(7) . . ?
C24 N4 Ag2 121.2(5) . 1_545 ?
C28 N4 Ag2 122.3(6) . 1_545 ?
C2 C1 C6 119.4(7) . . ?
C2 C1 C7 120.2(7) . . ?
C6 C1 C7 120.3(7) . . ?
C1 C2 C3 121.0(8) . . ?
C1 C2 H2A 119.5 . . ?
C3 C2 H2A 119.5 . . ?
C2 C3 C4 118.3(7) . . ?
C2 C3 C8 121.8(8) . . ?
C4 C3 C8 119.6(8) . . ?
C5 C4 C3 120.8(7) . . ?
C5 C4 H4A 119.6 . . ?
C3 C4 H4A 119.6 . . ?
C4 C5 C6 121.0(7) . . ?
C4 C5 S1 119.6(6) . . ?
C6 C5 S1 119.4(6) . . ?
C5 C6 C1 119.5(7) . . ?
C5 C6 H6A 120.3 . . ?
C1 C6 H6A 120.3 . . ?
O2 C7 O1 126.0(9) . . ?
O2 C7 C1 118.4(7) . . ?
O1 C7 C1 115.5(8) . . ?
O4 C8 O3 123.5(9) . . ?
O4 C8 C3 122.7(9) . . ?
O3 C8 C3 113.8(9) . . ?
N1 C9 C10 123.7(8) . . ?
N1 C9 H9A 118.2 . . ?
C10 C9 H9A 118.2 . . ?
C9 C10 C11 121.0(8) . . ?
C9 C10 H10A 119.5 . . ?
C11 C10 H10A 119.5 . . ?
C10 C11 C12 115.0(7) . . ?
C10 C11 C16 123.0(7) . . ?
C12 C11 C16 122.0(8) . . ?
C13 C12 C11 120.9(8) . . ?
C13 C12 H12A 119.5 . . ?
C11 C12 H12A 119.5 . . ?
N1 C13 C12 123.4(8) . . ?
N1 C13 H13A 118.3 . . ?
C12 C13 H13A 118.3 . . ?
N2 C14 C15 123.3(8) . . ?
N2 C14 H14A 118.4 . . ?
C15 C14 H14A 118.4 . . ?
C14 C15 C16 119.5(8) . . ?
C14 C15 H15A 120.3 . . ?
C16 C15 H15A 120.3 . . ?
C17 C16 C15 116.9(7) . . ?
C17 C16 C11 122.9(8) . . ?
C15 C16 C11 120.0(7) . . ?
C18 C17 C16 120.0(8) . . ?
C18 C17 H17A 120.0 . . ?
C16 C17 H17A 120.0 . . ?
C17 C18 N2 124.0(8) . . ?
C17 C18 H18A 118.0 . . ?
N2 C18 H18A 118.0 . . ?
N3 C19 C20 124.1(8) . . ?
N3 C19 H19A 118.0 . . ?
C20 C19 H19A 118.0 . . ?
C19 C20 C21 119.7(8) . . ?
C19 C20 H20A 120.2 . . ?
C21 C20 H20A 120.2 . . ?
C20 C21 C22 116.7(7) . . ?
C20 C21 C26 121.9(7) . . ?
C22 C21 C26 121.4(7) . . ?
C23 C22 C21 119.6(8) . . ?
C23 C22 H22A 120.2 . . ?
C21 C22 H22A 120.2 . . ?
N3 C23 C22 123.4(8) . . ?
N3 C23 H23A 118.3 . . ?
C22 C23 H23A 118.3 . . ?
N4 C24 C25 124.4(8) . . ?
N4 C24 H24A 117.8 . . ?
C25 C24 H24A 117.8 . . ?
C24 C25 C26 119.4(8) . . ?
C24 C25 H25A 120.3 . . ?
C26 C25 H25A 120.3 . . ?
C25 C26 C27 116.4(7) . . ?
C25 C26 C21 122.4(7) . . ?
C27 C26 C21 121.1(7) . . ?
C28 C27 C26 120.3(8) . . ?
C28 C27 H27A 119.8 . . ?
C26 C27 H27A 119.8 . . ?
N4 C28 C27 123.3(8) . . ?
N4 C28 H28A 118.4 . . ?
C27 C28 H28A 118.4 . . ?
O6 S1 O5 114.8(5) . . ?
O6 S1 O7 112.8(7) . . ?
O5 S1 O7 109.3(6) . . ?
O6 S1 C5 106.9(4) . . ?
O5 S1 C5 107.3(4) . . ?
O7 S1 C5 105.1(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
N1 Ag1 O1 C7 28.4(8) . . . . ?
N2 Ag1 O1 C7 -146.1(8) 1_565 . . . ?
Ag1 Ag1 O1 C7 117.3(7) 2 . . . ?
N3 Ag2 O6 S1 83(3) . . . . ?
N4 Ag2 O6 S1 -104(3) 1_565 . . . ?
N2 Ag1 N1 C9 -84.5(10) 1_565 . . . ?
O1 Ag1 N1 C9 112.1(7) . . . . ?
Ag1 Ag1 N1 C9 44.1(6) 2 . . . ?
N2 Ag1 N1 C13 106.1(9) 1_565 . . . ?
O1 Ag1 N1 C13 -57.3(6) . . . . ?
Ag1 Ag1 N1 C13 -125.3(6) 2 . . . ?
O6 Ag2 N3 C19 -162.3(7) . . . . ?
O6 Ag2 N3 C23 17.5(7) . . . . ?
C6 C1 C2 C3 0.7(12) . . . . ?
C7 C1 C2 C3 -178.2(7) . . . . ?
C1 C2 C3 C4 -1.7(12) . . . . ?
C1 C2 C3 C8 172.0(8) . . . . ?
C2 C3 C4 C5 1.3(12) . . . . ?
C8 C3 C4 C5 -172.7(8) . . . . ?
C3 C4 C5 C6 0.3(12) . . . . ?
C3 C4 C5 S1 179.8(6) . . . . ?
C4 C5 C6 C1 -1.4(11) . . . . ?
S1 C5 C6 C1 179.1(6) . . . . ?
C2 C1 C6 C5 0.9(11) . . . . ?
C7 C1 C6 C5 179.8(7) . . . . ?
Ag1 O1 C7 O2 -6.2(13) . . . . ?
Ag1 O1 C7 C1 177.0(5) . . . . ?
C2 C1 C7 O2 157.8(8) . . . . ?
C6 C1 C7 O2 -21.0(12) . . . . ?
C2 C1 C7 O1 -25.1(12) . . . . ?
C6 C1 C7 O1 156.0(8) . . . . ?
C2 C3 C8 O4 -169.1(9) . . . . ?
C4 C3 C8 O4 4.6(14) . . . . ?
C2 C3 C8 O3 11.8(13) . . . . ?
C4 C3 C8 O3 -174.5(9) . . . . ?
C13 N1 C9 C10 2.7(12) . . . . ?
Ag1 N1 C9 C10 -167.0(6) . . . . ?
N1 C9 C10 C11 -0.6(12) . . . . ?
C9 C10 C11 C12 -1.6(11) . . . . ?
C9 C10 C11 C16 176.1(7) . . . . ?
C10 C11 C12 C13 1.6(11) . . . . ?
C16 C11 C12 C13 -176.1(7) . . . . ?
C9 N1 C13 C12 -2.6(12) . . . . ?
Ag1 N1 C13 C12 167.6(6) . . . . ?
C11 C12 C13 N1 0.5(13) . . . . ?
C18 N2 C14 C15 0.4(12) . . . . ?
Ag1 N2 C14 C15 -176.6(6) 1_545 . . . ?
N2 C14 C15 C16 -1.4(13) . . . . ?
C14 C15 C16 C17 2.1(11) . . . . ?
C14 C15 C16 C11 178.6(7) . . . . ?
C10 C11 C16 C17 29.8(12) . . . . ?
C12 C11 C16 C17 -152.7(8) . . . . ?
C10 C11 C16 C15 -146.5(8) . . . . ?
C12 C11 C16 C15 31.1(11) . . . . ?
C15 C16 C17 C18 -1.9(12) . . . . ?
C11 C16 C17 C18 -178.3(7) . . . . ?
C16 C17 C18 N2 0.9(13) . . . . ?
C14 N2 C18 C17 -0.1(12) . . . . ?
Ag1 N2 C18 C17 176.6(6) 1_545 . . . ?
C23 N3 C19 C20 0.1(13) . . . . ?
Ag2 N3 C19 C20 179.9(7) . . . . ?
N3 C19 C20 C21 0.5(14) . . . . ?
C19 C20 C21 C22 0.1(12) . . . . ?
C19 C20 C21 C26 179.6(8) . . . . ?
C20 C21 C22 C23 -1.3(12) . . . . ?
C26 C21 C22 C23 179.2(7) . . . . ?
C19 N3 C23 C22 -1.4(13) . . . . ?
Ag2 N3 C23 C22 178.8(6) . . . . ?
C21 C22 C23 N3 2.1(13) . . . . ?
C28 N4 C24 C25 -1.3(13) . . . . ?
Ag2 N4 C24 C25 172.4(6) 1_545 . . . ?
N4 C24 C25 C26 1.4(13) . . . . ?
C24 C25 C26 C27 -0.5(12) . . . . ?
C24 C25 C26 C21 -178.7(7) . . . . ?
C20 C21 C26 C25 162.0(8) . . . . ?
C22 C21 C26 C25 -18.6(12) . . . . ?
C20 C21 C26 C27 -16.2(12) . . . . ?
C22 C21 C26 C27 163.3(8) . . . . ?
C25 C26 C27 C28 -0.4(12) . . . . ?
C21 C26 C27 C28 177.9(8) . . . . ?
C24 N4 C28 C27 0.4(13) . . . . ?
Ag2 N4 C28 C27 -173.2(7) 1_545 . . . ?
C26 C27 C28 N4 0.4(14) . . . . ?
Ag2 O6 S1 O5 -99(3) . . . . ?
Ag2 O6 S1 O7 27(3) . . . . ?
Ag2 O6 S1 C5 142(3) . . . . ?
C4 C5 S1 O6 -78.7(8) . . . . ?
C6 C5 S1 O6 100.8(8) . . . . ?
C4 C5 S1 O5 157.7(7) . . . . ?
C6 C5 S1 O5 -22.8(8) . . . . ?
C4 C5 S1 O7 41.4(9) . . . . ?
C6 C5 S1 O7 -139.1(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 H1WA O7 0.90 2.29 3.100(14) 150.1 3_657
O1W H1WB O2 0.90 1.85 2.753(10) 175.5 2_656
O2W H2WA O1W 0.90 1.98 2.736(12) 139.9 1_565
O2W H2WB O5 0.90 2.17 2.747(11) 121.5 2_666
O3 H3 O2W 0.82 1.89 2.615(10) 146.4 2_656

_diffrn_measured_fraction_theta_max 0.978
_diffrn_reflns_theta_full        25.04
_diffrn_measured_fraction_theta_full 0.978
_refine_diff_density_max         1.385
_refine_diff_density_min         -0.976
_refine_diff_density_rms         0.133

#===END OF 2


