Crystallography Open Database

Information card for entry 9014077

Preview

Coordinates	9014077.cif
Original paper (by DOI)	HTML
External links	AMCSD

Structure parameters

Formula	Cl2
Calculated formula	Cl2
SMILES	ClCl
Title of publication	On the crystal structure of chlorine _cod_database_code 1010328
Authors of publication	Keesom, W.; Taconis, K.
Journal of publication	Physica
Year of publication	1936
Journal volume	3
Pages of publication	237 - 242
a	8.56 Å
b	8.56 Å
c	6.12 Å
α	90°
β	90°
γ	90°
Cell volume	448.434 Å³
Number of distinct elements	1
Space group number	138
Hermann-Mauguin space group symbol	P 42/n c m :1
Hall space group symbol	P 4n 2ab -1n
Duplicate of	1010328
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
292204 (current)	2024-06-05	cif: Fixing miscelaneous details in structures with just one element in the declared formula	9014077.cif
292002	2024-05-23	Inserting missing Z values into entries of range 9	9014077.cif
201816	2017-10-06	cod/ Enhancement: marking COD entries that are known to be related to the AMCSD entries using the _cod_related_entry data loop.	9014077.cif
184280	2016-07-07	cif/9/ Marking 756 entries in range 9* as duplicates of other entries in the COD. All entries, containing '_cod_database_code' in their titles, were copied to a separate MySQL table 'duplicates' for comparison of the rest of their titles against the "original" entries. Formulae, both given by authors and calculated, were not compared, since duplicate entries in range 9* do not contain Z values. Command to compare and mark the duplicates: mysql -u root duplicates9 -p -e 'select A.file, B.file from data as A join duplicates as B on A.file = B.duplicateof and replace(replace(replace(A.title, "~", ""), " ", ""), "$-", "") = replace(B.title, " ", "") where A.duplicateof is null' -N \ \| while read -a LINE; \ do \ cat $(cod-locate ${LINE[1]}) <(echo _cod_duplicate_entry ${LINE[0]}) \ \| cif_filter -h $(cod-locate ${LINE[1]}) \ \| sponge $(cod-locate ${LINE[1]}); \ done	9014077.cif
176725	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 9.	9014077.cif
120115	2014-07-12	Adding DOIs to range 9 structures.	9014077.cif
86000	2013-05-09	cif/ (saulius@koala.ibt.lt) Adding new mineral structures from AMCSD.	9014077.cif