# Electronic Supplementary Material for CrystEngComm
# This journal is (c) The Royal Society of Chemistry 2009

data_global
_journal_name_full               CrystEngComm
_journal_coden_cambridge         1350
_journal_year                    ?
_journal_volume                  ?
_journal_page_first              ?
_publ_contact_author_name        'Maochun Hong'
_publ_contact_author_email       HMC@FJIRSM.AC.CN
loop_
_publ_author_name
'Maochun Hong.'
'Qiang Gao.'
'Yougui Huang.'
'Feilong Jiang.'
'Wei Wei.'
;
Mingyan Wu
;
'Qingfu Zhang.'
#===END

data_f:\weiwei\lunwen\agl12\trans\w
_database_code_depnum_ccdc_archive 'CCDC 699855'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C15 H17 Ag1 Cl1 N4 O5.5 S3'
_chemical_formula_weight         580.82

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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/m

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

_cell_length_a                   18.034(3)
_cell_length_b                   14.2859(9)
_cell_length_c                   8.9174(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 109.460(5)
_cell_angle_gamma                90.00
_cell_volume                     2166.2(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    2505
_cell_measurement_theta_min      3.3573
_cell_measurement_theta_max      27.4719

_exptl_crystal_description       Prism
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.781
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1164
_exptl_absorpt_coefficient_mu    1.380
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.7604
_exptl_absorpt_correction_T_max  0.8519
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Rigaku Mercury CCD area-detector'
_diffrn_measurement_method       dtprofit.ref
_diffrn_detector_area_resol_mean 14.6306
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            8386
_diffrn_reflns_av_R_equivalents  0.0207
_diffrn_reflns_av_sigmaI/netI    0.0197
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_theta_min         2.42
_diffrn_reflns_theta_max         27.48
_reflns_number_total             2575
_reflns_number_gt                2295
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2000)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'

_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. In addition, five most
disagreeable reflections reported by LST file were omitted.
;

_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^)+(0.0541P)^2^+4.5121P] 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         2575
_refine_ls_number_parameters     145
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0454
_refine_ls_R_factor_gt           0.0395
_refine_ls_wR_factor_ref         0.1051
_refine_ls_wR_factor_gt          0.1002
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_restrained_S_all      1.050
_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 0.0000 0.15446(3) 0.0000 0.05042(15) Uani 1 2 d S . .
Cl1 Cl 0.34862(9) 0.0000 0.23352(17) 0.0597(3) Uani 1 2 d S . .
S1 S 0.15483(5) 0.20398(6) 0.87175(9) 0.0457(2) Uani 1 1 d . . .
S2 S 0.19597(7) 0.0000 0.81006(15) 0.0470(3) Uani 1 2 d S . .
O1 O 0.0000 0.0000 0.5000 0.310(14) Uani 1 4 d SU . .
O2 O 0.3491(5) 0.0000 0.6673(12) 0.175(4) Uani 1 2 d S . .
O3 O 0.3547(4) -0.0795(3) 0.1473(5) 0.1229(16) Uani 1 1 d . . .
O4 O 0.2771(4) 0.0000 0.2524(12) 0.173(4) Uani 1 2 d S . .
O5 O 0.4089(5) 0.0000 0.3798(8) 0.147(3) Uani 1 2 d S . .
N1 N 0.07811(17) 0.1907(2) 0.2451(3) 0.0442(6) Uani 1 1 d . . .
N2 N 0.09226(15) 0.04829(18) 0.9314(3) 0.0385(5) Uani 1 1 d . . .
C1 C 0.1034(2) 0.2676(3) 0.4945(4) 0.0511(8) Uani 1 1 d . . .
H1 H 0.0898 0.3146 0.5527 0.061 Uiso 1 1 calc R . .
C2 C 0.0613(2) 0.2567(3) 0.3357(4) 0.0507(8) Uani 1 1 d . . .
H2 H 0.0194 0.2968 0.2891 0.061 Uiso 1 1 calc R . .
C3 C 0.1403(2) 0.1358(2) 0.3155(4) 0.0462(7) Uani 1 1 d . . .
H3 H 0.1542 0.0908 0.2543 0.055 Uiso 1 1 calc R . .
C4 C 0.1844(2) 0.1429(2) 0.4741(4) 0.0464(7) Uani 1 1 d . . .
H4 H 0.2269 0.1031 0.5182 0.056 Uiso 1 1 calc R . .
C5 C 0.16528(19) 0.2094(2) 0.5671(3) 0.0429(7) Uani 1 1 d . . .
C6 C 0.2126(2) 0.2198(3) 0.7416(4) 0.0493(8) Uani 1 1 d . . .
H6A H 0.2362 0.2816 0.7593 0.059 Uiso 1 1 calc R . .
H6B H 0.2550 0.1743 0.7695 0.059 Uiso 1 1 calc R . .
C7 C 0.14332(17) 0.0833(2) 0.8720(3) 0.0360(6) Uani 1 1 d . . .
C8 C 0.4110(6) 0.0000 0.8095(12) 0.127(4) 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 0.0515(2) 0.0711(3) 0.0282(2) 0.000 0.01277(15) 0.000
Cl1 0.0669(8) 0.0525(7) 0.0565(8) 0.000 0.0163(6) 0.000
S1 0.0615(5) 0.0472(4) 0.0317(4) -0.0074(3) 0.0200(3) -0.0185(4)
S2 0.0490(6) 0.0578(7) 0.0439(6) 0.000 0.0284(5) 0.000
O1 0.133(11) 0.59(4) 0.173(15) 0.000 0.001(10) 0.000
O2 0.123(6) 0.248(11) 0.166(8) 0.000 0.064(6) 0.000
O3 0.216(5) 0.0556(19) 0.105(3) -0.008(2) 0.065(3) 0.005(3)
O4 0.106(5) 0.235(10) 0.209(9) 0.000 0.096(6) 0.000
O5 0.140(6) 0.148(6) 0.100(5) 0.000 -0.031(4) 0.000
N1 0.0557(16) 0.0476(15) 0.0295(13) -0.0037(11) 0.0143(12) -0.0104(12)
N2 0.0453(13) 0.0401(12) 0.0342(13) -0.0008(10) 0.0188(11) -0.0018(11)
C1 0.066(2) 0.0515(19) 0.0360(17) -0.0118(15) 0.0175(16) -0.0109(16)
C2 0.060(2) 0.0506(18) 0.0394(18) -0.0057(15) 0.0140(15) -0.0024(16)
C3 0.0583(19) 0.0507(17) 0.0337(16) -0.0054(14) 0.0208(15) -0.0073(15)
C4 0.0493(17) 0.0583(19) 0.0329(16) 0.0013(14) 0.0154(14) -0.0065(15)
C5 0.0482(17) 0.0529(18) 0.0295(15) -0.0048(13) 0.0156(13) -0.0230(14)
C6 0.0516(18) 0.064(2) 0.0325(16) -0.0057(15) 0.0143(14) -0.0265(16)
C7 0.0397(14) 0.0460(15) 0.0221(13) -0.0023(11) 0.0102(11) -0.0052(12)
C8 0.101(7) 0.177(11) 0.086(6) 0.000 0.006(5) 0.000

_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 2.231(3) . ?
Ag1 N1 2.231(3) 2 ?
Ag1 N2 2.474(2) 2_556 ?
Ag1 N2 2.474(2) 1_554 ?
Cl1 O4 1.354(7) . ?
Cl1 O5 1.392(6) . ?
Cl1 O3 1.396(4) . ?
Cl1 O3 1.396(4) 6 ?
S1 C7 1.737(3) . ?
S1 C6 1.814(3) . ?
S2 C7 1.724(3) . ?
S2 C7 1.724(3) 6 ?
O2 C8 1.382(12) . ?
N1 C2 1.340(4) . ?
N1 C3 1.340(5) . ?
N2 C7 1.305(4) . ?
N2 N2 1.380(5) 6 ?
N2 Ag1 2.474(2) 1_556 ?
C1 C5 1.369(5) . ?
C1 C2 1.374(5) . ?
C1 H1 0.9300 . ?
C2 H2 0.9300 . ?
C3 C4 1.376(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.378(5) . ?
C4 H4 0.9300 . ?
C5 C6 1.513(4) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?

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 N1 153.18(15) . 2 ?
N1 Ag1 N2 99.03(9) . 2_556 ?
N1 Ag1 N2 97.32(10) 2 2_556 ?
N1 Ag1 N2 97.32(10) . 1_554 ?
N1 Ag1 N2 99.03(9) 2 1_554 ?
N2 Ag1 N2 104.38(12) 2_556 1_554 ?
O4 Cl1 O5 111.2(6) . . ?
O4 Cl1 O3 108.7(3) . . ?
O5 Cl1 O3 109.6(3) . . ?
O4 Cl1 O3 108.7(3) . 6 ?
O5 Cl1 O3 109.6(3) . 6 ?
O3 Cl1 O3 108.9(4) . 6 ?
C7 S1 C6 102.65(16) . . ?
C7 S2 C7 87.3(2) . 6 ?
C2 N1 C3 116.8(3) . . ?
C2 N1 Ag1 123.9(2) . . ?
C3 N1 Ag1 118.6(2) . . ?
C7 N2 N2 112.53(17) . 6 ?
C7 N2 Ag1 119.3(2) . 1_556 ?
N2 N2 Ag1 127.81(6) 6 1_556 ?
C5 C1 C2 120.1(3) . . ?
C5 C1 H1 120.0 . . ?
C2 C1 H1 120.0 . . ?
N1 C2 C1 122.9(3) . . ?
N1 C2 H2 118.5 . . ?
C1 C2 H2 118.5 . . ?
N1 C3 C4 123.0(3) . . ?
N1 C3 H3 118.5 . . ?
C4 C3 H3 118.5 . . ?
C3 C4 C5 119.6(3) . . ?
C3 C4 H4 120.2 . . ?
C5 C4 H4 120.2 . . ?
C1 C5 C4 117.5(3) . . ?
C1 C5 C6 121.2(3) . . ?
C4 C5 C6 121.2(3) . . ?
C5 C6 S1 113.4(2) . . ?
C5 C6 H6A 108.9 . . ?
S1 C6 H6A 108.9 . . ?
C5 C6 H6B 108.9 . . ?
S1 C6 H6B 108.9 . . ?
H6A C6 H6B 107.7 . . ?
N2 C7 S2 113.8(2) . . ?
N2 C7 S1 118.8(2) . . ?
S2 C7 S1 127.30(17) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 Ag1 N1 C2 44.7(3) 2 . . . ?
N2 Ag1 N1 C2 -82.2(3) 2_556 . . . ?
N2 Ag1 N1 C2 171.9(3) 1_554 . . . ?
N1 Ag1 N1 C3 -144.7(2) 2 . . . ?
N2 Ag1 N1 C3 88.5(2) 2_556 . . . ?
N2 Ag1 N1 C3 -17.4(2) 1_554 . . . ?
C3 N1 C2 C1 -1.7(5) . . . . ?
Ag1 N1 C2 C1 169.1(3) . . . . ?
C5 C1 C2 N1 -0.4(6) . . . . ?
C2 N1 C3 C4 2.1(5) . . . . ?
Ag1 N1 C3 C4 -169.2(3) . . . . ?
N1 C3 C4 C5 -0.4(5) . . . . ?
C2 C1 C5 C4 2.1(5) . . . . ?
C2 C1 C5 C6 180.0(3) . . . . ?
C3 C4 C5 C1 -1.7(5) . . . . ?
C3 C4 C5 C6 -179.6(3) . . . . ?
C1 C5 C6 S1 61.1(4) . . . . ?
C4 C5 C6 S1 -121.1(3) . . . . ?
C7 S1 C6 C5 76.4(3) . . . . ?
N2 N2 C7 S2 0.2(2) 6 . . . ?
Ag1 N2 C7 S2 -173.23(13) 1_556 . . . ?
N2 N2 C7 S1 -176.82(13) 6 . . . ?
Ag1 N2 C7 S1 9.8(3) 1_556 . . . ?
C7 S2 C7 N2 -0.2(3) 6 . . . ?
C7 S2 C7 S1 176.47(10) 6 . . . ?
C6 S1 C7 N2 -167.7(2) . . . . ?
C6 S1 C7 S2 15.8(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         0.672
_refine_diff_density_min         -0.571
_refine_diff_density_rms         0.081
#===END

#===END

# Attachment '1-2a.CIF'

data_f:\weiwei\lunwen\agl12\cis\w
_database_code_depnum_ccdc_archive 'CCDC 699858'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C28 H24 Ag2 Cl2 N8 O8 S6'
_chemical_formula_weight         1079.55

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   Cmc21

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

_cell_length_a                   26.425(3)
_cell_length_b                   27.128(3)
_cell_length_c                   10.9079(14)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     7819.4(16)
_cell_formula_units_Z            8
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    9947
_cell_measurement_theta_min      3.0256
_cell_measurement_theta_max      27.4835

_exptl_crystal_description       Prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.30
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.834
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4288
_exptl_absorpt_coefficient_mu    1.516
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.5486
_exptl_absorpt_correction_T_max  0.6590
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Rigaku Mercury CCD area-detector'
_diffrn_measurement_method       dtprofit.ref
_diffrn_detector_area_resol_mean 14.6306
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            29914
_diffrn_reflns_av_R_equivalents  0.0192
_diffrn_reflns_av_sigmaI/netI    0.0198
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         2.15
_diffrn_reflns_theta_max         27.49
_reflns_number_total             9111
_reflns_number_gt                8445
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2000)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'

_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^)+(0.0764P)^2^+8.9597P] 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_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.03(3)
_refine_ls_number_reflns         9111
_refine_ls_number_parameters     502
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0488
_refine_ls_R_factor_gt           0.0457
_refine_ls_wR_factor_ref         0.1321
_refine_ls_wR_factor_gt          0.1278
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_restrained_S_all      1.061
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.086950(18) 0.130486(16) 0.33441(5) 0.07383(14) Uani 1 1 d . . .
Ag2 Ag 0.5000 0.02137(3) 0.28652(8) 0.07648(19) Uani 1 2 d S . .
Ag3 Ag 0.5000 0.21108(3) 0.34189(9) 0.0880(2) Uani 1 2 d S . .
Cl1 Cl 0.0000 0.15106(11) 0.57675(17) 0.0822(6) Uani 1 2 d S . .
Cl2 Cl 0.23474(5) 0.12223(4) 0.63555(11) 0.0557(3) Uani 1 1 d . . .
Cl3 Cl 0.0000 0.40058(7) 0.07065(17) 0.0626(4) Uani 1 2 d S . .
S1 S 0.11103(16) 0.38914(11) 0.5414(3) 0.1514(14) Uani 1 1 d . . .
S2 S 0.0000 0.3998(3) 0.4499(5) 0.183(2) Uani 1 2 d S . .
S3 S 0.11024(5) -0.13420(6) 0.52015(14) 0.0665(3) Uani 1 1 d . . .
S4 S 0.0000 -0.12940(10) 0.42476(16) 0.0762(6) Uani 1 2 d S . .
S5 S 0.23228(5) 0.23409(5) 0.18747(14) 0.0638(3) Uani 1 1 d . . .
S6 S 0.22712(7) 0.12689(4) 0.27986(12) 0.0675(3) Uani 1 1 d . . .
S7 S 0.22487(5) 0.01971(5) 0.18696(14) 0.0620(3) Uani 1 1 d . . .
O1 O 0.0000 0.1483(4) 0.4486(6) 0.098(2) Uani 1 2 d S . .
O2 O 0.0477(4) 0.1371(3) 0.6254(8) 0.147(3) Uani 1 1 d . . .
O3 O 0.0000 0.2013(5) 0.6116(16) 0.199(7) Uani 1 2 d S . .
O4 O 0.0000 0.4541(2) 0.0667(7) 0.0850(17) Uani 1 2 d S . .
O5 O 0.0470(3) 0.3861(2) 0.1232(7) 0.123(2) Uani 1 1 d . . .
O6 O 0.0000 0.3851(3) -0.0549(6) 0.0843(17) Uani 1 2 d S . .
O7 O 0.2430(4) 0.1288(3) 0.7548(6) 0.175(5) Uani 1 1 d . . .
O8 O 0.2202(3) 0.1634(2) 0.5755(6) 0.148(3) Uani 1 1 d . . .
O9 O 0.1943(6) 0.0938(7) 0.637(2) 0.366(13) Uani 1 1 d . . .
O10 O 0.2696(3) 0.0966(3) 0.5681(7) 0.172(4) Uani 1 1 d . . .
N1 N 0.10202(17) 0.20897(16) 0.3497(5) 0.0657(10) Uani 1 1 d . . .
N2 N 0.0214(11) 0.3666(5) 0.6562(15) 0.25(2) Uani 1 1 d D . .
N3 N 0.09583(15) 0.05038(16) 0.3500(5) 0.0612(9) Uani 1 1 d . . .
N4 N 0.02583(16) -0.13260(18) 0.6484(4) 0.0619(10) Uani 1 1 d . . .
N5 N 0.42024(14) 0.22186(18) 0.3490(6) 0.0669(11) Uani 1 1 d . . .
N6 N 0.2416(2) 0.1524(2) 0.0584(4) 0.0771(13) Uani 1 1 d . . .
N7 N 0.2404(2) 0.1011(2) 0.0599(5) 0.0779(13) Uani 1 1 d . . .
N8 N 0.41954(14) 0.01919(17) 0.2916(5) 0.0662(11) Uani 1 1 d . . .
C1 C 0.0871(4) 0.2911(3) 0.2883(9) 0.133(4) Uani 1 1 d . . .
H1 H 0.0720 0.3122 0.2319 0.159 Uiso 1 1 calc R . .
C2 C 0.0796(4) 0.2408(3) 0.2804(11) 0.145(5) Uani 1 1 d . . .
H2 H 0.0571 0.2292 0.2215 0.174 Uiso 1 1 calc R . .
C3 C 0.1308(2) 0.2269(2) 0.4394(5) 0.0648(12) Uani 1 1 d . . .
H3 H 0.1457 0.2049 0.4940 0.078 Uiso 1 1 calc R . .
C4 C 0.1397(2) 0.2768(2) 0.4552(6) 0.0726(14) Uani 1 1 d . . .
H4 H 0.1612 0.2876 0.5170 0.087 Uiso 1 1 calc R . .
C5 C 0.1171(3) 0.3098(2) 0.3808(6) 0.0770(15) Uani 1 1 d . . .
C6 C 0.1263(5) 0.3644(3) 0.3914(11) 0.122(3) Uani 1 1 d . . .
H6A H 0.1062 0.3813 0.3301 0.147 Uiso 1 1 calc R . .
H6B H 0.1617 0.3710 0.3738 0.147 Uiso 1 1 calc R . .
C7 C 0.0459(5) 0.3822(4) 0.5517(9) 0.126(4) Uani 1 1 d D . .
C8 C 0.1299(2) -0.0192(2) 0.4516(6) 0.0752(16) Uani 1 1 d . . .
H8 H 0.1489 -0.0314 0.5167 0.090 Uiso 1 1 calc R . .
C9 C 0.1230(3) 0.0309(2) 0.4401(5) 0.0748(15) Uani 1 1 d . . .
H9 H 0.1379 0.0518 0.4974 0.090 Uiso 1 1 calc R . .
C10 C 0.0762(3) 0.0200(2) 0.2704(7) 0.0807(18) Uani 1 1 d . . .
H10 H 0.0572 0.0331 0.2067 0.097 Uiso 1 1 calc R . .
C11 C 0.0821(2) -0.0306(2) 0.2752(6) 0.0730(15) Uani 1 1 d . . .
H11 H 0.0676 -0.0504 0.2151 0.088 Uiso 1 1 calc R . .
C12 C 0.10926(15) -0.05160(17) 0.3683(4) 0.0498(9) Uani 1 1 d . . .
C13 C 0.1190(2) -0.10571(19) 0.3706(5) 0.0608(11) Uani 1 1 d . . .
H13A H 0.1534 -0.1116 0.3436 0.073 Uiso 1 1 calc R . .
H13B H 0.0965 -0.1216 0.3124 0.073 Uiso 1 1 calc R . .
C14 C 0.04503(18) -0.13092(18) 0.5394(4) 0.0543(10) Uani 1 1 d . . .
C15 C 0.33721(19) 0.2016(2) 0.4187(6) 0.0745(15) Uani 1 1 d . . .
H15 H 0.3167 0.1831 0.4707 0.089 Uiso 1 1 calc R . .
C16 C 0.3892(2) 0.1943(3) 0.4194(7) 0.0796(17) Uani 1 1 d . . .
H16 H 0.4029 0.1700 0.4694 0.095 Uiso 1 1 calc R . .
C17 C 0.39915(18) 0.2568(2) 0.2805(6) 0.0671(13) Uani 1 1 d . . .
H17 H 0.4202 0.2770 0.2340 0.081 Uiso 1 1 calc R . .
C18 C 0.34782(17) 0.26461(17) 0.2750(5) 0.0585(10) Uani 1 1 d . . .
H18 H 0.3347 0.2895 0.2258 0.070 Uiso 1 1 calc R . .
C19 C 0.31614(15) 0.23525(15) 0.3429(4) 0.0492(8) Uani 1 1 d . . .
C20 C 0.25952(16) 0.24308(18) 0.3390(5) 0.0580(10) Uani 1 1 d . . .
H20A H 0.2520 0.2763 0.3663 0.070 Uiso 1 1 calc R . .
H20B H 0.2435 0.2204 0.3958 0.070 Uiso 1 1 calc R . .
C21 C 0.23576(16) 0.17073(19) 0.1676(4) 0.0543(10) Uani 1 1 d . . .
C22 C 0.23354(16) 0.08283(18) 0.1664(4) 0.0517(9) Uani 1 1 d . . .
C23 C 0.25846(15) 0.00807(18) 0.3287(5) 0.0567(10) Uani 1 1 d . . .
H23A H 0.2472 0.0314 0.3903 0.068 Uiso 1 1 calc R . .
H23B H 0.2502 -0.0248 0.3575 0.068 Uiso 1 1 calc R . .
C24 C 0.31544(14) 0.01240(15) 0.3138(4) 0.0480(9) Uani 1 1 d . . .
C25 C 0.3418(2) 0.0459(3) 0.3785(7) 0.101(3) Uani 1 1 d . . .
H25 H 0.3255 0.0658 0.4357 0.121 Uiso 1 1 calc R . .
C26 C 0.3943(2) 0.0507(3) 0.3590(7) 0.090(2) Uani 1 1 d . . .
H26 H 0.4115 0.0769 0.3949 0.108 Uiso 1 1 calc R . .
C27 C 0.39344(19) -0.0112(2) 0.2241(8) 0.087(2) Uani 1 1 d . . .
H27 H 0.4104 -0.0306 0.1669 0.104 Uiso 1 1 calc R . .
C28 C 0.34133(19) -0.0158(2) 0.2346(8) 0.086(2) Uani 1 1 d . . .
H28 H 0.3242 -0.0386 0.1864 0.103 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 0.0721(3) 0.0673(2) 0.0821(3) -0.0110(2) 0.0082(2) -0.00153(17)
Ag2 0.0338(2) 0.0913(4) 0.1044(5) -0.0077(3) 0.000 0.000
Ag3 0.0394(2) 0.1054(5) 0.1192(5) 0.0138(5) 0.000 0.000
Cl1 0.0790(12) 0.1209(18) 0.0465(8) -0.0027(10) 0.000 0.000
Cl2 0.0752(7) 0.0426(5) 0.0494(5) 0.0029(4) 0.0136(5) 0.0090(4)
Cl3 0.0545(8) 0.0712(10) 0.0622(8) -0.0066(7) 0.000 0.000
S1 0.203(4) 0.1037(17) 0.147(2) -0.0560(18) -0.056(2) 0.0219(19)
S2 0.218(6) 0.204(6) 0.127(3) 0.071(4) 0.000 0.000
S3 0.0442(6) 0.0875(9) 0.0679(7) 0.0209(6) 0.0052(5) 0.0055(5)
S4 0.0529(9) 0.137(2) 0.0391(7) 0.0120(9) 0.000 0.000
S5 0.0584(6) 0.0583(7) 0.0746(7) 0.0162(6) -0.0170(6) -0.0010(5)
S6 0.0990(10) 0.0555(7) 0.0482(6) 0.0049(5) 0.0054(6) 0.0049(6)
S7 0.0512(6) 0.0567(6) 0.0780(7) -0.0083(6) -0.0210(6) 0.0037(5)
O1 0.065(3) 0.175(7) 0.055(3) -0.006(4) 0.000 0.000
O2 0.162(7) 0.149(6) 0.131(6) 0.012(4) -0.052(5) 0.051(5)
O3 0.172(11) 0.140(9) 0.28(2) -0.122(12) 0.000 0.000
O4 0.083(4) 0.061(3) 0.111(5) -0.011(3) 0.000 0.000
O5 0.133(5) 0.099(4) 0.139(5) 0.006(4) -0.070(4) 0.027(4)
O6 0.079(4) 0.097(5) 0.076(4) -0.018(3) 0.000 0.000
O7 0.185(9) 0.276(13) 0.063(3) -0.015(4) -0.022(4) 0.084(8)
O8 0.238(9) 0.107(4) 0.099(4) 0.031(3) 0.033(5) 0.101(5)
O9 0.268(16) 0.40(2) 0.43(3) -0.17(2) 0.154(18) -0.247(16)
O10 0.226(8) 0.168(6) 0.120(5) 0.058(5) 0.098(6) 0.142(7)
N1 0.063(2) 0.062(2) 0.072(3) 0.003(2) -0.008(2) 0.0010(18)
N2 0.42(6) 0.172(11) 0.166(11) 0.017(8) 0.048(19) -0.013(14)
N3 0.053(2) 0.067(2) 0.064(2) -0.010(2) -0.0015(19) -0.0029(17)
N4 0.046(2) 0.084(3) 0.055(2) 0.0104(19) 0.0005(17) 0.0009(18)
N5 0.0405(17) 0.071(2) 0.089(3) 0.012(2) -0.002(2) 0.0006(16)
N6 0.111(4) 0.071(3) 0.049(2) 0.004(2) 0.009(2) -0.009(3)
N7 0.106(4) 0.075(3) 0.052(2) -0.003(2) 0.007(3) -0.003(3)
N8 0.0353(16) 0.076(3) 0.087(3) -0.017(2) -0.001(2) 0.0027(16)
C1 0.200(11) 0.079(5) 0.119(7) -0.004(4) -0.092(7) 0.022(5)
C2 0.178(10) 0.077(5) 0.179(10) 0.004(5) -0.131(9) 0.005(5)
C3 0.065(3) 0.066(3) 0.064(3) 0.008(2) -0.014(2) 0.007(2)
C4 0.058(3) 0.077(3) 0.083(3) -0.015(3) -0.017(3) 0.002(2)
C5 0.092(4) 0.063(3) 0.076(3) 0.004(3) 0.002(3) 0.002(3)
C6 0.155(9) 0.070(4) 0.142(8) 0.003(5) -0.007(7) -0.005(5)
C7 0.184(12) 0.094(6) 0.100(6) -0.042(5) -0.019(7) 0.015(6)
C8 0.078(3) 0.075(3) 0.073(3) 0.004(3) -0.038(3) -0.001(3)
C9 0.093(4) 0.072(3) 0.059(3) -0.012(2) -0.017(3) -0.014(3)
C10 0.092(4) 0.069(3) 0.081(4) -0.001(3) -0.042(4) -0.008(3)
C11 0.089(4) 0.072(3) 0.058(3) -0.001(2) -0.022(3) -0.011(3)
C12 0.0375(18) 0.065(3) 0.047(2) 0.0024(18) 0.0054(15) -0.0022(16)
C13 0.057(3) 0.065(3) 0.060(3) 0.006(2) 0.015(2) 0.004(2)
C14 0.050(2) 0.069(3) 0.044(2) 0.0116(18) 0.0029(17) 0.0007(19)
C15 0.049(2) 0.083(4) 0.091(4) 0.037(3) 0.008(3) 0.003(2)
C16 0.051(3) 0.090(4) 0.098(4) 0.039(4) -0.007(3) 0.004(3)
C17 0.047(2) 0.069(3) 0.085(3) 0.020(3) 0.001(3) -0.006(2)
C18 0.050(2) 0.052(2) 0.073(3) 0.018(2) 0.000(2) -0.0004(17)
C19 0.0437(18) 0.052(2) 0.052(2) 0.0017(19) -0.0003(18) -0.0023(15)
C20 0.044(2) 0.061(2) 0.069(3) 0.004(2) 0.000(2) 0.0034(17)
C21 0.042(2) 0.067(3) 0.054(2) 0.008(2) -0.0041(17) -0.0003(18)
C22 0.041(2) 0.063(3) 0.051(2) -0.0061(19) -0.0061(16) 0.0013(17)
C23 0.0355(17) 0.064(2) 0.071(3) 0.012(2) 0.0027(19) 0.0018(16)
C24 0.0344(16) 0.055(2) 0.055(2) 0.0035(17) -0.0068(15) 0.0060(14)
C25 0.042(2) 0.155(7) 0.107(5) -0.080(5) -0.006(3) 0.008(3)
C26 0.048(3) 0.115(5) 0.107(5) -0.062(4) -0.008(3) 0.001(3)
C27 0.040(2) 0.085(4) 0.135(6) -0.048(4) 0.006(3) 0.006(2)
C28 0.044(2) 0.078(4) 0.136(6) -0.058(4) 0.003(3) -0.005(2)

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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.172(4) . ?
Ag1 N3 2.192(4) . ?
Ag1 N4 2.594(4) 4_554 ?
Ag2 N8 2.128(4) . ?
Ag2 N8 2.128(4) 3_655 ?
Ag3 N5 2.129(4) . ?
Ag3 N5 2.129(4) 3_655 ?
Cl1 O1 1.400(6) . ?
Cl1 O3 1.414(11) . ?
Cl1 O2 1.418(8) 3 ?
Cl1 O2 1.418(8) . ?
Cl2 O9 1.317(9) . ?
Cl2 O7 1.331(7) . ?
Cl2 O8 1.351(5) . ?
Cl2 O10 1.369(5) . ?
Cl3 O5 1.424(6) 3 ?
Cl3 O5 1.424(6) . ?
Cl3 O6 1.432(7) . ?
Cl3 O4 1.451(6) . ?
S1 C7 1.736(14) . ?
S1 C6 1.814(12) . ?
S2 C7 1.712(13) . ?
S2 C7 1.712(12) 3 ?
S3 C14 1.738(5) . ?
S3 C13 1.820(5) . ?
S4 C14 1.726(5) . ?
S4 C14 1.726(5) 3 ?
S5 C21 1.735(5) . ?
S5 C20 1.819(6) . ?
S6 C21 1.722(5) . ?
S6 C22 1.729(5) . ?
S7 C22 1.742(5) . ?
S7 C23 1.810(5) . ?
N1 C2 1.292(9) . ?
N1 C3 1.332(7) . ?
N2 N2 1.13(6) 3 ?
N2 C7 1.377(15) . ?
N3 C10 1.305(7) . ?
N3 C9 1.328(8) . ?
N4 C14 1.293(6) . ?
N4 N4 1.365(8) 3 ?
N4 Ag1 2.594(4) 4 ?
N5 C17 1.330(7) . ?
N5 C16 1.350(8) . ?
N6 C21 1.300(7) . ?
N6 N7 1.393(8) . ?
N7 C22 1.276(7) . ?
N8 C27 1.303(8) . ?
N8 C26 1.310(7) . ?
C1 C5 1.380(10) . ?
C1 C2 1.382(12) . ?
C1 H1 0.9300 . ?
C2 H2 0.9300 . ?
C3 C4 1.385(8) . ?
C3 H3 0.9300 . ?
C4 C5 1.346(9) . ?
C4 H4 0.9300 . ?
C5 C6 1.505(10) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C8 C12 1.377(7) . ?
C8 C9 1.377(9) . ?
C8 H8 0.9300 . ?
C9 H9 0.9300 . ?
C10 C11 1.381(9) . ?
C10 H10 0.9300 . ?
C11 C12 1.367(7) . ?
C11 H11 0.9300 . ?
C12 C13 1.490(7) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C15 C19 1.352(7) . ?
C15 C16 1.387(7) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C17 C18 1.374(6) . ?
C17 H17 0.9300 . ?
C18 C19 1.373(6) . ?
C18 H18 0.9300 . ?
C19 C20 1.512(6) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C23 C24 1.519(5) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 C28 1.341(7) . ?
C24 C25 1.346(7) . ?
C25 C26 1.410(8) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C27 C28 1.387(7) . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ag1 N3 161.06(17) . . ?
N1 Ag1 N4 98.79(17) . 4_554 ?
N3 Ag1 N4 98.58(16) . 4_554 ?
N8 Ag2 N8 175.6(3) . 3_655 ?
N5 Ag3 N5 163.7(3) . 3_655 ?
O1 Cl1 O3 108.6(9) . . ?
O1 Cl1 O2 111.1(4) . 3 ?
O3 Cl1 O2 99.0(5) . 3 ?
O1 Cl1 O2 111.1(4) . . ?
O3 Cl1 O2 99.0(5) . . ?
O2 Cl1 O2 125.3(8) 3 . ?
O9 Cl2 O7 101.8(10) . . ?
O9 Cl2 O8 104.9(12) . . ?
O7 Cl2 O8 114.2(5) . . ?
O9 Cl2 O10 104.7(9) . . ?
O7 Cl2 O10 118.9(6) . . ?
O8 Cl2 O10 110.6(4) . . ?
O5 Cl3 O5 121.5(7) 3 . ?
O5 Cl3 O6 107.7(4) 3 . ?
O5 Cl3 O6 107.7(4) . . ?
O5 Cl3 O4 106.7(3) 3 . ?
O5 Cl3 O4 106.7(3) . . ?
O6 Cl3 O4 105.4(5) . . ?
C7 S1 C6 103.9(5) . . ?
C7 S2 C7 90.2(9) . 3 ?
C14 S3 C13 102.3(2) . . ?
C14 S4 C14 87.1(3) . 3 ?
C21 S5 C20 103.0(2) . . ?
C21 S6 C22 87.5(3) . . ?
C22 S7 C23 102.5(2) . . ?
C2 N1 C3 116.6(5) . . ?
C2 N1 Ag1 121.7(5) . . ?
C3 N1 Ag1 121.3(4) . . ?
N2 N2 C7 118.0(13) 3 . ?
C10 N3 C9 117.1(5) . . ?
C10 N3 Ag1 122.2(4) . . ?
C9 N3 Ag1 120.7(4) . . ?
C14 N4 N4 113.1(3) . 3 ?
C14 N4 Ag1 118.3(3) . 4 ?
N4 N4 Ag1 128.50(9) 3 4 ?
C17 N5 C16 117.4(4) . . ?
C17 N5 Ag3 119.5(4) . . ?
C16 N5 Ag3 123.2(4) . . ?
C21 N6 N7 111.6(4) . . ?
C22 N7 N6 113.7(5) . . ?
C27 N8 C26 117.4(4) . . ?
C27 N8 Ag2 122.1(4) . . ?
C26 N8 Ag2 120.4(4) . . ?
C5 C1 C2 119.4(7) . . ?
C5 C1 H1 120.3 . . ?
C2 C1 H1 120.3 . . ?
N1 C2 C1 124.0(7) . . ?
N1 C2 H2 118.0 . . ?
C1 C2 H2 118.0 . . ?
N1 C3 C4 123.0(5) . . ?
N1 C3 H3 118.5 . . ?
C4 C3 H3 118.5 . . ?
C5 C4 C3 120.0(5) . . ?
C5 C4 H4 120.0 . . ?
C3 C4 H4 120.0 . . ?
C4 C5 C1 116.8(6) . . ?
C4 C5 C6 122.4(7) . . ?
C1 C5 C6 120.7(8) . . ?
C5 C6 S1 113.4(7) . . ?
C5 C6 H6A 108.9 . . ?
S1 C6 H6A 108.9 . . ?
C5 C6 H6B 108.9 . . ?
S1 C6 H6B 108.9 . . ?
H6A C6 H6B 107.7 . . ?
N2 C7 S2 106.9(14) . . ?
N2 C7 S1 123.5(14) . . ?
S2 C7 S1 129.1(8) . . ?
C12 C8 C9 121.2(5) . . ?
C12 C8 H8 119.4 . . ?
C9 C8 H8 119.4 . . ?
N3 C9 C8 122.1(5) . . ?
N3 C9 H9 118.9 . . ?
C8 C9 H9 118.9 . . ?
N3 C10 C11 123.9(5) . . ?
N3 C10 H10 118.0 . . ?
C11 C10 H10 118.0 . . ?
C12 C11 C10 120.1(5) . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C11 C12 C8 115.6(5) . . ?
C11 C12 C13 120.9(5) . . ?
C8 C12 C13 123.3(4) . . ?
C12 C13 S3 114.3(3) . . ?
C12 C13 H13A 108.7 . . ?
S3 C13 H13A 108.7 . . ?
C12 C13 H13B 108.7 . . ?
S3 C13 H13B 108.7 . . ?
H13A C13 H13B 107.6 . . ?
N4 C14 S4 113.3(4) . . ?
N4 C14 S3 119.9(4) . . ?
S4 C14 S3 126.7(3) . . ?
C19 C15 C16 120.5(5) . . ?
C19 C15 H15 119.8 . . ?
C16 C15 H15 119.8 . . ?
N5 C16 C15 121.3(5) . . ?
N5 C16 H16 119.3 . . ?
C15 C16 H16 119.3 . . ?
N5 C17 C18 123.2(5) . . ?
N5 C17 H17 118.4 . . ?
C18 C17 H17 118.4 . . ?
C19 C18 C17 119.3(4) . . ?
C19 C18 H18 120.4 . . ?
C17 C18 H18 120.4 . . ?
C15 C19 C18 118.1(4) . . ?
C15 C19 C20 121.3(4) . . ?
C18 C19 C20 120.4(4) . . ?
C19 C20 S5 113.5(4) . . ?
C19 C20 H20A 108.9 . . ?
S5 C20 H20A 108.9 . . ?
C19 C20 H20B 108.9 . . ?
S5 C20 H20B 108.9 . . ?
H20A C20 H20B 107.7 . . ?
N6 C21 S6 113.8(4) . . ?
N6 C21 S5 119.9(4) . . ?
S6 C21 S5 126.0(3) . . ?
N7 C22 S6 113.4(4) . . ?
N7 C22 S7 121.1(4) . . ?
S6 C22 S7 125.1(3) . . ?
C24 C23 S7 112.4(3) . . ?
C24 C23 H23A 109.1 . . ?
S7 C23 H23A 109.1 . . ?
C24 C23 H23B 109.1 . . ?
S7 C23 H23B 109.1 . . ?
H23A C23 H23B 107.9 . . ?
C28 C24 C25 117.3(4) . . ?
C28 C24 C23 122.0(4) . . ?
C25 C24 C23 120.6(4) . . ?
C24 C25 C26 119.5(5) . . ?
C24 C25 H25 120.3 . . ?
C26 C25 H25 120.3 . . ?
N8 C26 C25 121.7(5) . . ?
N8 C26 H26 119.1 . . ?
C25 C26 H26 119.1 . . ?
N8 C27 C28 122.4(5) . . ?
N8 C27 H27 118.8 . . ?
C28 C27 H27 118.8 . . ?
C24 C28 C27 120.6(5) . . ?
C24 C28 H28 119.7 . . ?
C27 C28 H28 119.7 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N3 Ag1 N1 C2 160.1(9) . . . . ?
N4 Ag1 N1 C2 3.8(9) 4_554 . . . ?
N3 Ag1 N1 C3 -26.9(9) . . . . ?
N4 Ag1 N1 C3 176.8(4) 4_554 . . . ?
N1 Ag1 N3 C10 -150.8(7) . . . . ?
N4 Ag1 N3 C10 5.5(6) 4_554 . . . ?
N1 Ag1 N3 C9 27.1(9) . . . . ?
N4 Ag1 N3 C9 -176.6(5) 4_554 . . . ?
N5 Ag3 N5 C17 56.6(14) 3_655 . . . ?
N5 Ag3 N5 C16 -124.2(10) 3_655 . . . ?
C21 N6 N7 C22 0.4(7) . . . . ?
N8 Ag2 N8 C27 -86(4) 3_655 . . . ?
N8 Ag2 N8 C26 97(3) 3_655 . . . ?
C3 N1 C2 C1 5.2(18) . . . . ?
Ag1 N1 C2 C1 178.5(11) . . . . ?
C5 C1 C2 N1 -5(2) . . . . ?
C2 N1 C3 C4 -4.0(11) . . . . ?
Ag1 N1 C3 C4 -177.4(5) . . . . ?
N1 C3 C4 C5 2.7(10) . . . . ?
C3 C4 C5 C1 -2.2(11) . . . . ?
C3 C4 C5 C6 -178.4(8) . . . . ?
C2 C1 C5 C4 3.2(17) . . . . ?
C2 C1 C5 C6 179.5(12) . . . . ?
C4 C5 C6 S1 -58.0(11) . . . . ?
C1 C5 C6 S1 126.0(10) . . . . ?
C7 S1 C6 C5 -66.4(9) . . . . ?
N2 N2 C7 S2 2.2(9) 3 . . . ?
N2 N2 C7 S1 174.6(4) 3 . . . ?
C7 S2 C7 N2 -2.7(11) 3 . . . ?
C7 S2 C7 S1 -174.6(3) 3 . . . ?
C6 S1 C7 N2 138.4(10) . . . . ?
C6 S1 C7 S2 -51.0(8) . . . . ?
C10 N3 C9 C8 -1.0(10) . . . . ?
Ag1 N3 C9 C8 -179.1(5) . . . . ?
C12 C8 C9 N3 0.8(11) . . . . ?
C9 N3 C10 C11 0.2(11) . . . . ?
Ag1 N3 C10 C11 178.2(6) . . . . ?
N3 C10 C11 C12 0.9(12) . . . . ?
C10 C11 C12 C8 -1.0(9) . . . . ?
C10 C11 C12 C13 -175.8(6) . . . . ?
C9 C8 C12 C11 0.2(9) . . . . ?
C9 C8 C12 C13 174.9(6) . . . . ?
C11 C12 C13 S3 -136.2(5) . . . . ?
C8 C12 C13 S3 49.4(6) . . . . ?
C14 S3 C13 C12 69.9(4) . . . . ?
N4 N4 C14 S4 -0.2(4) 3 . . . ?
Ag1 N4 C14 S4 -176.9(2) 4 . . . ?
N4 N4 C14 S3 -176.3(2) 3 . . . ?
Ag1 N4 C14 S3 7.1(6) 4 . . . ?
C14 S4 C14 N4 0.3(5) 3 . . . ?
C14 S4 C14 S3 176.05(18) 3 . . . ?
C13 S3 C14 N4 -157.5(4) . . . . ?
C13 S3 C14 S4 27.0(4) . . . . ?
C17 N5 C16 C15 1.1(11) . . . . ?
Ag3 N5 C16 C15 -178.1(6) . . . . ?
C19 C15 C16 N5 2.9(12) . . . . ?
C16 N5 C17 C18 -2.5(11) . . . . ?
Ag3 N5 C17 C18 176.7(5) . . . . ?
N5 C17 C18 C19 0.0(10) . . . . ?
C16 C15 C19 C18 -5.4(10) . . . . ?
C16 C15 C19 C20 178.9(6) . . . . ?
C17 C18 C19 C15 4.0(9) . . . . ?
C17 C18 C19 C20 179.8(5) . . . . ?
C15 C19 C20 S5 -122.5(5) . . . . ?
C18 C19 C20 S5 61.8(6) . . . . ?
C21 S5 C20 C19 71.9(4) . . . . ?
N7 N6 C21 S6 -1.2(6) . . . . ?
N7 N6 C21 S5 -176.3(4) . . . . ?
C22 S6 C21 N6 1.2(4) . . . . ?
C22 S6 C21 S5 175.9(3) . . . . ?
C20 S5 C21 N6 -149.0(4) . . . . ?
C20 S5 C21 S6 36.5(4) . . . . ?
N6 N7 C22 S6 0.5(7) . . . . ?
N6 N7 C22 S7 173.9(4) . . . . ?
C21 S6 C22 N7 -0.9(4) . . . . ?
C21 S6 C22 S7 -174.1(3) . . . . ?
C23 S7 C22 N7 142.5(5) . . . . ?
C23 S7 C22 S6 -44.8(3) . . . . ?
C22 S7 C23 C24 -70.4(4) . . . . ?
S7 C23 C24 C28 -59.1(6) . . . . ?
S7 C23 C24 C25 119.3(6) . . . . ?
C28 C24 C25 C26 1.4(12) . . . . ?
C23 C24 C25 C26 -177.2(7) . . . . ?
C27 N8 C26 C25 12.9(13) . . . . ?
Ag2 N8 C26 C25 -170.7(7) . . . . ?
C24 C25 C26 N8 -9.2(14) . . . . ?
C26 N8 C27 C28 -9.3(12) . . . . ?
Ag2 N8 C27 C28 174.3(6) . . . . ?
C25 C24 C28 C27 2.1(11) . . . . ?
C23 C24 C28 C27 -179.4(6) . . . . ?
N8 C27 C28 C24 1.9(13) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        27.49
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         1.049
_refine_diff_density_min         -0.711
_refine_diff_density_rms         0.078