#------------------------------------------------------------------------------ #$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: svn://www.crystallography.net/cod/cif/2/2010419.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_2010419 _journal_name_full 'Acta Crystallographica' _journal_year 1995 _journal_volume C51 _journal_page_first 60 _journal_page_last 62 _publ_section_title ; Silver Oxalate, Ag~2~C~2~O~4~ ; loop_ _publ_author_name 'Dmitry Yu.Naumov' 'Alexander V.Virovets' 'Nina V.Podberezskaya' 'Elena V.Boldyreva' _chemical_name_common 'silver oxalate' _chemical_formula_moiety 'C2 Ag2 O4' _chemical_formula_sum 'C2 Ag2 O4' _chemical_formula_structural 'Ag2 C2 O4' _chemical_formula_weight 303.76 _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 21/c' 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' _cell_length_a 3.4603(5) _cell_length_b 6.1972(9) _cell_length_c 9.548(2) _cell_angle_alpha 90.00 _cell_angle_beta 103.470(10) _cell_angle_gamma 90.00 _cell_volume 199.12(6) _cell_formula_units_Z 2 _cell_measurement_temperature 300(2) _exptl_crystal_density_diffrn 5.066 _diffrn_ambient_temperature 300(2) _refine_ls_R_factor_obs 0.0259 _refine_ls_wR_factor_obs 0.0519 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_thermal_displace_type _atom_site_calc_flag _atom_site_refinement_flags _atom_site_occupancy _atom_site_disorder_group _atom_site_type_symbol Ag1 0.1416(2) 0.49443(7) 0.15782(6) 0.0257(4) Uani d . 1 . Ag O1 0.507(2) 0.7859(8) 0.1183(6) 0.0260(10) Uani d . 1 . O O2 0.175(2) 0.8228(7) -0.1097(6) 0.0240(10) Uani d . 1 . O C1 0.403(2) 0.8840(10) 0.0037(9) 0.018(2) Uani d . 1 . C loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Ag1 0.0337(6) 0.0193(5) 0.0226(5) -0.0072(2) 0.0035(3) -0.0001(2) O1 0.028(4) 0.020(2) 0.025(3) -0.004(2) 0.000(3) 0.010(2) O2 0.021(4) 0.026(2) 0.024(3) -0.008(2) 0.001(3) -0.002(2) C1 0.019(5) 0.015(4) 0.025(5) 0.001(4) 0.013(4) 0.004(3) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Ag1 Ag1 3_565 2.9450(10) yes Ag1 O1 . 2.286(5) yes Ag1 O1 2_645 2.551(6) yes Ag1 O2 3_565 2.245(5) yes Ag1 O2 4_576 2.471(6) yes O1 C1 . 1.230(10) yes O2 C1 . 1.240(10) yes C1 C1 3_675 1.600(10) yes O1 Ag1 2_655 2.551(6) no O2 Ag1 3_565 2.245(5) no O2 Ag1 4_575 2.471(6) no