Crystallography Open Database

Information card for entry 1010091

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Structure parameters

Chemical name	Diiodine
Formula	I2
Calculated formula	I2
SMILES	II
Title of publication	The Atomic Arrangement in the Crystal of Orthorhombic Iodine
Authors of publication	Harris, P M; Mack, E; Blake, F C
Journal of publication	Journal of the American Chemical Society
Year of publication	1928
Journal volume	50
Pages of publication	1583 - 1600
a	7.255 Å
b	4.795 Å
c	9.78 Å
α	90°
β	90°
γ	90°
Cell volume	340.2 Å³
Number of distinct elements	1
Space group number	64
Hermann-Mauguin space group symbol	C m c a
Hall space group symbol	-C 2ac 2
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
201954 (current)	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1010091.cif
130149	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	1010091.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1010091.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1010091.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	1010091.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	1010091.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	1010091.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	1010091.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	1010091.cif