#------------------------------------------------------------------------------ #$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $ #$Revision: 966 $ #$URL: svn://www.crystallography.net/cod/cif/4/4000609.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_4000609 _journal_name_full 'Chemistry of Materials' _journal_year 2005 _chemical_formula_moiety 'C4 H3 Ag N2 O' _chemical_formula_sum 'C4 H3 Ag N2 O' _chemical_formula_weight 202.95 _symmetry_cell_setting Monoclinic _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _[local]_cod_cif_authors_sg_H-M 'P 21/c' loop_ _symmetry_equiv_pos_as_xyz '-x, -y, -z' '-x, y+1/2, -z+1/2' 'x, -y+1/2, z+1/2' 'x, y, z' _cell_length_a 7.5756(4) _cell_length_b 5.4207(2) _cell_length_c 12.5711(6) _cell_angle_alpha 90 _cell_angle_beta 117.506(3) _cell_angle_gamma 90 _cell_volume 457.9(1) _cell_formula_units_Z 4 _cell_measurement_temperature 298 _exptl_crystal_density_diffrn 2.944 _diffrn_ambient_temperature 298 _pd_proc_ls_prof_R_factor 0.091 _pd_proc_ls_prof_wR_factor 0.118 loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_B_iso_or_equiv Ag Ag 4 0.64709(26) 0.73684(41) 0.55315(14) 1 2.757(84) N1 N 4 -0.7215932 0.1303382 -0.7305149 1 4.757(84) C2 C 4 -0.6574183 0.2257351 -0.805722 1 4.757(84) H2 H 4 -0.5982638 0.3848672 -0.7908753 1 4.757(84) N3 N 4 -0.6773051 0.09499687 -0.9020271 1 0.000(84) C4 C 4 -0.7613668 -0.1311382 -0.9231251 1 0.000(84) C5 C 4 -0.8255417 -0.2265351 -0.847918 1 0.000(84) H5 H 4 -0.8846962 -0.3856672 -0.8627647 1 0.000(84) C6 C 4 -0.8056549 -0.09579687 -0.7516129 1 0.000(84) H6 H 4 -0.8520567 -0.1673671 -0.7003 1 0.000(84) O1 O 4 -0.7798071 -0.2521709 -1.012193 1 4.757(84) _cod_database_code 4000609