#------------------------------------------------------------------------------ #$Date: 2015-10-14 14:10:44 +0300 (Wed, 14 Oct 2015) $ #$Revision: 168428 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/22/29/7222938.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_7222938 loop_ _publ_author_name 'Ziegler, B.' 'Seitz, K.' 'Babel, D.' _publ_section_title ; Silberdiammin-disilber-hexacyanometallate(III): Kantenverknuepfte Doppeltetraeder-Einheiten Ag2 N6 in den unterschiedlichen Strukturen von Eisen- und Cobaltkomplex. ; _journal_name_full ; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) ; _journal_page_first 1589 _journal_page_last 1597 _journal_volume 43 _journal_year 1988 _chemical_formula_sum 'C6 H6 Ag3 Fe N8' _chemical_name_systematic '(Ag (N H3)2) Ag2 (Fe (C N)6)' _space_group_IT_number 9 _symmetry_space_group_name_Hall 'C -2yc' _symmetry_space_group_name_H-M 'C 1 c 1' _cell_angle_alpha 90 _cell_angle_beta 94.98 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 9.482 _cell_length_b 12.355 _cell_length_c 12.468 _cell_volume 1455.114 _citation_journal_id_ASTM ZNBSEN _cod_data_source_file Ziegler_ZNBSEN_1988_980.cif _cod_data_source_block C6H6Ag3Fe1N8 _cod_chemical_formula_sum_orig 'C6 H6 Ag3 Fe1 N8' _cod_database_code 7222938 loop_ _symmetry_equiv_pos_as_xyz x,y,z x,-y,z+1/2 x+1/2,y+1/2,z x+1/2,-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_occupancy _atom_site_U_iso_or_equiv N3 N+1 0.306 0.2928 0.2373 1 0.0 H3 H+1 -0.043 0.1182 0.189 1 0.0 N4 N+1 0.192 0.2251 -0.2544 1 0.0 Ag1 Ag+1 0.2779 0.33173 0.4056 1 0.0 C3 C-2 0.286 0.278 0.147 1 0.0 H2 H+1 -0.062 -0.0069 0.203 1 0.0 Fe1 Fe+3 0.2504 0.2552 -0.0048 1 0.0 N8 N-3 0.43 0.029 0.309 1 0.0 H1 H+1 -0.064 0.0699 0.303 1 0.0 N7 N-3 -0.023 0.0577 0.236 1 0.0 C4 C-2 0.207 0.235 -0.161 1 0.0 H6 H+1 0.471 0.05 0.244 1 0.0 H4 H+1 0.452 -0.046 0.324 1 0.0 N6 N+1 0.208 0.008 0.029 1 0.0 C1 C-2 0.449 0.23 -0.0192 1 0.0 C2 C-2 0.053 0.273 0.02 1 0.0 H5 H+1 0.468 0.073 0.368 1 0.0 Ag2 Ag+1 0.2192 0.15422 0.5911 1 0.0 N5 N+1 0.295 0.499 -0.041 1 0.0 C5 C-2 0.279 0.416 -0.025 1 0.0 Ag3 Ag+1 0.2093 0.0452 0.2798 1 0.0 C6 C-2 0.224 0.1029 0.017 1 0.0 N2 N+1 -0.07 0.2844 0.0297 1 0.0 N1 N+1 0.567 0.228 -0.037 1 0.0