#------------------------------------------------------------------------------ #$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/2005592.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_2005592 _journal_name_full 'Acta Crystallographica' _journal_year 1996 _journal_volume C52 _journal_page_first 2678 _journal_page_last 2680 _publ_section_title ; Poly[bis(3,5-dinitrobenzoato-O^1^:O^2^)disilver(I)-O^2^:Ag;Ag^'^:O^2^^'^] ; _chemical_formula_moiety '[Ag~2~(C~7~H~3~N~2~O~6~)~2~]' _chemical_formula_sum 'C14 H6 Ag2 N4 O12' _chemical_formula_weight 637.96 _symmetry_cell_setting monoclinic 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' _symmetry_space_group_name_H-M 'P 21/c' _cell_length_a 5.428(2) _cell_length_b 9.747(3) _cell_length_c 16.115(2) _cell_angle_alpha 90.00 _cell_angle_beta 94.336(4) _cell_angle_gamma 90.00 _cell_volume 850.2(6) _cell_formula_units_Z 2 _exptl_crystal_density_diffrn 2.492 _cell_measurement_temperature 295 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_b_iso_or_equiv Ag1 1.1920(1) -0.0784(1) 0.46845(4) 3.29(1) O1 0.9120(9) -0.0906(8) 0.3648(3) 2.8(1) O2 0.599(1) 0.0267(7) 0.4121(3) 2.8(1) O3 -0.082(1) 0.1523(7) 0.2097(4) 3.1(1) O4 -0.066(1) 0.0990(9) 0.0788(4) 4.7(2) O5 0.557(1) -0.2139(7) -0.0021(4) 3.3(2) O6 0.864(1) -0.2670(7) 0.0866(4) 3.6(2) N1 0.014(1) 0.0975(9) 0.1526(4) 2.6(2) N2 0.665(1) -0.2095(9) 0.0680(4) 2.8(2) C1 0.562(1) -0.0565(9) 0.2728(5) 2.1(2) C2 0.345(2) 0.0171(9) 0.2548(5) 1.9(2) C3 0.235(2) 0.014(1) 0.1730(5) 2.1(2) C4 0.338(2) -0.0597(9) 0.1111(5) 2.3(2) C5 0.549(2) -0.134(1) 0.1330(5) 2.1(2) C6 0.663(2) -0.1302(9) 0.2118(5) 2.0(2) C7 0.703(1) -0.0395(9) 0.3582(5) 1.8(2) H2 0.273 0.068 0.297 2.4 H4 0.265 -0.060 0.056 3.0 H6 0.813 -0.179 0.224 2.5