#------------------------------------------------------------------------------
#$Date: 2016-02-16 18:55:33 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176466 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/03/8100344.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_8100344
loop_
_publ_author_name
'Pan, Yong-Jun'
'Meng, Fan-Jin'
'Wang, Xian-Jiang'
'Zhu, Hai-Liang'
'Wang, Da-Qi'
_publ_section_title
;
Crystal structure of 4-aminobenzenesulfonosilver(I), C₆H₆AgNO₃S
;
_journal_issue                   2
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              253
_journal_page_last               254
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'C6 H6 Ag N O3 S'
_chemical_formula_sum            'C6 H6 Ag N O3 S'
_chemical_formula_weight         280.05
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 100.076(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.109(5)
_cell_length_b                   8.910(5)
_cell_length_c                   9.546(6)
_cell_measurement_temperature    293(2)
_cell_volume                     762.9(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.438
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C6 H6 Ag1 N1 O3 S1'
_cod_database_code               8100344
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'
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_Wyckoff_symbol
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.96600(3) 0.70534(3) 0.39119(3) 0.04183(14) Uani 1 4 e d . . .
N1 N 0.1691(3) 0.4090(3) 0.0739(3) 0.0329(6) Uani 1 4 e d . . .
O1 O 0.8859(2) 0.4939(3) 0.2312(3) 0.0408(6) Uani 1 4 e d . . .
O2 O 0.8718(3) 0.2312(3) 0.2893(3) 0.0419(6) Uani 1 4 e d . . .
O3 O 0.8315(2) 0.4216(3) 0.4595(2) 0.0437(6) Uani 1 4 e d . . .
S1 S 0.81726(7) 0.38117(9) 0.31007(8) 0.02791(19) Uani 1 4 e d . . .
C1 C 0.6252(3) 0.3847(3) 0.2403(3) 0.0261(6) Uani 1 4 e d . . .
C2 C 0.5287(3) 0.4514(4) 0.3174(3) 0.0330(7) Uani 1 4 e d . . .
C3 C 0.3783(3) 0.4589(4) 0.2630(3) 0.0342(7) Uani 1 4 e d . . .
C4 C 0.3246(3) 0.4008(3) 0.1305(3) 0.0275(6) Uani 1 4 e d . . .
C5 C 0.4215(4) 0.3337(4) 0.0522(4) 0.0343(7) Uani 1 4 e d . . .
C6 C 0.5726(4) 0.3258(4) 0.1075(4) 0.0336(7) Uani 1 4 e d . . .
H1 H 0.561(4) 0.482(4) 0.405(4) 0.035(9) Uiso 1 4 e d . . .
H2 H 0.320(4) 0.511(5) 0.313(4) 0.040(10) Uiso 1 4 e d . . .
H3 H 0.390(5) 0.295(4) -0.045(5) 0.045(11) Uiso 1 4 e d . . .
H4 H 0.633(5) 0.278(4) 0.049(4) 0.043(10) Uiso 1 4 e d . . .
H5 H 0.158(4) 0.410(4) -0.028(4) 0.033(9) Uiso 1 4 e d . . .
H6 H 0.134(4) 0.490(5) 0.119(4) 0.038(10) Uiso 1 4 e d . . .
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 2.250(3) 2_655 ?
Ag1 O3 2.407(2) 3_766 ?
Ag1 O1 2.455(3) . ?
Ag1 O2 2.469(3) 2_755 ?
N1 C4 1.427(4) . ?
N1 Ag1 2.250(3) 2_645 ?
O1 S1 1.459(2) . ?
O2 S1 1.451(3) . ?
O2 Ag1 2.469(3) 2_745 ?
O3 S1 1.455(2) . ?
O3 Ag1 2.407(2) 3_766 ?
S1 C1 1.760(3) . ?
C1 C2 1.376(4) . ?
C1 C6 1.378(4) . ?
C2 C3 1.380(4) . ?
C3 C4 1.374(4) . ?
C4 C5 1.388(4) . ?
C5 C6 1.387(5) . ?
