#------------------------------------------------------------------------------ #$Date: 2013-04-20 00:04:08 +0300 (Sat, 20 Apr 2013) $ #$Revision: 81984 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/02/78/4027802.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_4027802 loop_ _publ_author_name 'Thomas, M.' 'Noltemeyer, M.' 'Sheldrick, G.M.' 'Clegg, W.' 'Roesky, H.W.' 'Schmidt, H.G.' _publ_section_title ; Tetrakis(tetrasulphur tetranitrogen dioxide)silver Hexafluoroarsenate(V) ; _journal_name_full ; Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-) ; _journal_page_first 405 _journal_page_last 407 _journal_volume 1983 _journal_year 1983 _chemical_formula_sum 'Ag As F6 N16 O8 S16' _chemical_name_systematic '((N4 O2 S4)4 Ag) (As F6)' _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 66.44 _cell_angle_beta 96.71 _cell_angle_gamma 91.3 _cell_formula_units_Z 2 _cell_length_a 11.426 _cell_length_b 11.949 _cell_length_c 12.548 _cell_volume 1559.064 _citation_journal_id_ASTM JCDTBI _[local]_cod_data_source_file silver1-2_22.cif _[local]_cod_data_source_block Ag1As1F6N16O8S16 _[local]_cod_chemical_formula_sum_orig 'Ag1 As1 F6 N16 O8 S16' _cod_database_code 4027802 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,-z 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 N8 N 0.4149 0.2203 0.4548 1 0.0 N2 N 0.3543 0.6192 0.2684 1 0.0 S16 S 0.1674 0.0208 1.1138 1 0.0 O3 O-2 0.4131 0.2402 0.6403 1 0.0 S15 S 0.429 0.0485 1.1171 1 0.0 N1 N 0.2053 0.5339 0.4325 1 0.0 N10 N 0.1224 0.7291 0.743 1 0.0 O6 O-2 0.3349 0.7143 0.6351 1 0.0 S8 S 0.2354 -0.0326 0.4408 1 0.0 S4 S 0.0448 0.6882 0.1445 1 0.0 F2 F-1 0.9451 0.651 0.9222 1 0.0 O4 O-2 0.3641 0.0419 0.6335 1 0.0 N7 N 0.356 0.0313 0.3985 1 0.0 O2 O-2 0.1862 0.762 0.3296 1 0.0 F6 F-1 0.7564 0.7064 0.9519 1 0.0 S12 S 0.2093 0.8068 0.7915 1 0.0 F4 F-1 0.665 0.6069 0.8353 1 0.0 N6 N 0.1441 0.0378 0.4797 1 0.0 S11 S 0.4194 0.6369 0.895 1 0.0 S1 S+4 0.1198 0.6549 0.3785 1 0.0 S6 S 0.1185 0.1467 0.5114 1 0.0 S13 S+4 0.1935 0.0816 0.8762 1 0.0 S9 S+4 0.1017 0.6108 0.7218 1 0.0 S14 S 0.375 0.2467 0.876 1 0.0 O5 O-2 0.3944 0.5094 0.653 1 0.0 N9 N 0.2094 0.5322 0.7216 1 0.0 F3 F-1 0.8095 0.7616 0.7581 1 0.0 S2 S 0.3298 0.5279 0.3914 1 0.0 N5 N 0.2232 0.2223 0.5376 1 0.0 F1 F-1 0.8001 0.4956 0.997 1 0.0 S3 S 0.3053 0.7143 0.1425 1 0.0 N16 N 0.1206 0.0774 0.9808 1 0.0 N11 N 0.334 0.7476 0.8594 1 0.0 N14 N 0.4395 0.1587 0.9937 1 0.0 As1 As+5 0.8054 0.6301 0.8794 1 0.0 S7 S 0.4336 0.142 0.3852 1 0.0 N3 N 0.1661 0.7277 0.1046 1 0.0 O1 O-2 0.0477 0.645 0.4673 1 0.0 N13 N 0.2487 0.2175 0.8321 1 0.0 S10 S 0.3411 0.5848 0.6992 1 0.0 Ag1 Ag+1 0.1752 0.3733 0.6295 1 0.0 O8 O-2 0.2856 -0.0098 0.9195 1 0.0 N12 N 0.4063 0.5497 0.8302 1 0.0 N15 N 0.3015 0.0073 1.1535 1 0.0 N4 N 0.0306 0.6347 0.2777 1 0.0 O7 O-2 0.1078 0.0838 0.7834 1 0.0 S5 S+4 0.3597 0.1722 0.5782 1 0.0 F5 F-1 0.8507 0.5547 0.8018 1 0.0