#------------------------------------------------------------------------------ #$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $ #$Revision: 966 $ #$URL: file:///home/coder/svn-repositories/cod/cif/5/5900011.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_5900011 _journal_name_full Strukturbericht _journal_page_first 666 _journal_volume 3 _chemical_formula_sum 'C2 H2 I2' _chemical_name_systematic 'Diiodine acetylene' _symmetry_Int_Tables_number 14 _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90 _cell_angle_beta 105.33 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 4.58 _cell_length_b 13.31 _cell_length_c 4.58 _[local]_cod_data_source_file 012_diiodine_acetylene.cif _[local]_cod_data_source_block diiodine_acetylene _[local]_cod_cif_authors_sg_H-M 'P 21/c' loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z C C 4 e 0 0.053 -0.008 I I 4 e 0 0.145 -0.270 loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance C I 1.97(3) 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\