#------------------------------------------------------------------------------ #$Date: 2014-07-11 16:38:41 +0300 (Fri, 11 Jul 2014) $ #$Revision: 120070 $ #$URL: file:///home/coder/svn-repositories/cod/cif/5/90/00/5900013.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_5900013 _journal_name_full 'Rec. trav. chim.' _journal_page_first 253 _journal_volume 61 _journal_year 1942 _chemical_formula_sum 'C2 Br6' _chemical_name_systematic Hexabromoethane _symmetry_Int_Tables_number 62 _symmetry_space_group_name_H-M 'P n m a' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 12.00 _cell_length_b 10.64 _cell_length_c 6.69 _[local]_cod_data_source_file 014_hexabromoethane.cif _[local]_cod_data_source_block hexabromoethane _[local]_cod_depositor_comments ; Kitajgorodskij [1] does not give atom coordinates. ; loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z ? ? ? ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance C C 1.52(3) C Br 1.93(3) loop_ _geom_angle _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 110(2) C C Br loop_ _citation_id _citation_coordinate_linkage _citation_title _citation_book_title _citation_country _citation_page_first _citation_page_last _citation_year _citation_book_publisher _[local]_cod_citation_special_details 1 yes ? 'Organicheskaja Kristallokhimija' USSR ? ? 1955 'Izdatel'stvo Akademii Nauk SSSR' ; Coordinates are presented as published in this book, Kitajgorodskij's "Organicheskaja Kristallokhimija", keyed in manually. Saulius Gra\