#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005492.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_2005492
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year       1996
_journal_page_first    	2416
_journal_page_last    	2419
_journal_coeditor_code   FG1114
_chemical_formula_iupac    	'[Ag2 (C F3 O3 S)2 (C8 H4 N2)2 (H2 O)]'
_chemical_formula_moiety    	'C8 H4 N2, C Ag1 F3 O3 S, 0.5(H2 O1)'
_chemical_formula_sum    	'C9 H5 Ag F3 N2 O3.5 S'
_chemical_formula_structural   	'(C8 H4 N2), (C F3 O3 S)Ag1 , 0.5(H2 O1)'
_chemical_formula_weight    	394.08
_symmetry_cell_setting    	Monoclinic
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_[local]_cod_cif_authors_sg_H-M  'I 2/a'
loop_
_symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x+1/2, y, -z'
    'x+1/2, y+1/2, z+1/2'
    '-x+1, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x-1/2, -y, z'
    '-x+1/2, -y+1/2, -z+1/2'
    'x, -y+1/2, z+1/2'
_cell_length_a    	13.032(4)
_cell_length_b    	11.948(4)
_cell_length_c    	16.295(5)
_cell_angle_alpha    	90.00
_cell_angle_beta    	103.83(2)
_cell_angle_gamma    	90.00
_cell_volume    	2463.8(13)
_cell_formula_units_Z    	8
_exptl_crystal_density_diffrn    	2.125
_cell_measurement_temperature    	293(2)
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
    Ag 1 0.29399(2) 0.11486(2) 0.13134(2) 0.04814(12)
    S1 1 0.01956(6) 0.17163(6) 0.02077(5) 0.0323(2)
    F1 1 0.1376(2) 0.3460(2) 0.0132(2) 0.0655(6)
    F2 1 0.0249(3) 0.3726(2) 0.0846(2) 0.1073(12)
    F3 1 -0.0227(2) 0.3663(2) -0.0513(2) 0.1009(12)
    O1 1 0.0470(2) 0.1324(2) -0.05436(15) 0.0476(6)
    O2 1 0.0903(2) 0.1384(2) 0.0988(2) 0.0513(6)
    O3 1 -0.0909(2) 0.1635(2) 0.0194(2) 0.0475(6)
    O4 1 0.2500 0.0065(3) 0.0000 0.0396(7)
    H1 1 0.2935(24) -0.0341(28) -0.0003(22) 0.033(9)
    N1 1 0.3263(2) 0.2879(2) 0.1786(2) 0.0465(7)
    N2 1 0.3423(2) 0.9469(2) 0.1964(2) 0.0459(7)
    C1 1 0.3327(3) 0.3821(2) 0.1854(2) 0.0387(7)
    C2 1 0.3391(2) 0.5021(2) 0.1890(2) 0.0334(6)
    C3 1 0.4051(2) 0.5559(2) 0.2574(2) 0.0364(6)
    H3 1 0.4463 0.5145 0.3015 0.044
    C4 1 0.4087(2) 0.6711(2) 0.2591(2) 0.0352(6)
    H4 1 0.4533 0.7082 0.3039 0.042
    C5 1 0.3451(2) 0.7314(2) 0.1931(2) 0.0308(6)
    C6 1 0.2781(2) 0.6769(3) 0.1254(2) 0.0380(7)
    H6 1 0.2357 0.7181 0.0818 0.046
    C7 1 0.2749(3) 0.5631(3) 0.1235(2) 0.0411(7)
    H7 1 0.2302 0.5261 0.0787 0.049
    C8 1 0.3458(2) 0.8518(3) 0.1953(2) 0.0362(6)
    C9 1 0.0399(3) 0.3216(3) 0.0175(3) 0.0502(9)
_cod_database_code 2005492