#------------------------------------------------------------------------------ #$Date: 2021-05-03 15:41:16 +0300 (Mon, 03 May 2021) $ #$Revision: 264769 $ #$URL: file:///home/coder/svn-repositories/cod/cif/5/90/00/5900020.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_5900020 _journal_name_full 'J. Am. Chem. Soc.' _journal_page_first 2701 _journal_paper_doi 10.1021/ja01162a098 _journal_volume 72 _journal_year 1950 _chemical_formula_sum 'C4 H8 I2 S3' _chemical_name_systematic '2,2- Diiodide diethylene trisulfide' _symmetry_Int_Tables_number 92 _symmetry_space_group_name_H-M 'P 41 21 2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 6.01 _cell_length_b 6.01 _cell_length_c 29.4 _cod_data_source_file 021_diiodide_diethylene_trisulfide.cif _cod_data_source_block diiodide_diethylene_trisulfide _cod_depositor_comments ; Added the _citation_author_ordinal data item to the CITATION_AUTHOR loop and updated the _citation_author_name data item value. Antanas Vaitkus, 2021-05-03 ; _cod_database_code 5900020 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 S1 S1 8 b 0.674 0.301 0.067 S2 S2 8 b 0.554 0.446 0.125 I I 8 b 0.885 0.250 0.948 C1 C1 8 b 0.942 0.725 0.203 C2 C2 8 b 0.960 0.491 0.181 loop_ _citation_author_citation_id _citation_author_ordinal _citation_author_name 1 1 'Kitajgorodskij, A. I.' loop_ _citation_id _citation_coordinate_linkage _citation_title _citation_book_title _citation_country _citation_page_first _citation_page_last _citation_year _citation_book_publisher _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\