#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/cod/cif/5/90/00/5900003.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_5900003 _journal_name_full Strukturbericht _journal_page_first 805 _journal_volume 2 _chemical_formula_sum 'C H4 N2 S' _chemical_name_systematic Thiourea _symmetry_Int_Tables_number 62 _symmetry_space_group_name_H-M 'P b n m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 5.47 _cell_length_b 7.64 _cell_length_c 8.54 _[local]_cod_data_source_file 004_thiourea.cif _[local]_cod_data_source_block thiourea _cod_database_code 5900003 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 8 d -0.14 0.10 0.25 S S 8 d 0.120 -0.007 0.25 N N 8 d 0.278 -0.13 -0.125 loop_ _citation_author_citation_id _citation_author_name 1 'A. I. Kitajgorodskij' 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\