Crystallography Open Database

Information card for entry 6000557

Preview

Coordinates	6000557.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C Br F3
Calculated formula	C Br F3
Title of publication	The crystal-structure of CBrF3 by high-resolution powder neutron-diffraction
Authors of publication	Jouanneaux, A.; Fitch, A. N.; Cockcroft, J. K.
Journal of publication	Molecular Physics
Year of publication	1992
Journal volume	77
Pages of publication	45 - 50
a	8.146 Å
b	5.8533 Å
c	7.9616 Å
α	90°
β	111.722°
γ	90°
Cell volume	352.66 Å³
Ambient diffraction temperature	1.5 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
208444 (current)	2018-06-16	cif/6/00/05/ Adding the atomic coordinates, isotropic atomic displacement parameter values and space group information after consulting the original publication.	6000557.cif
176292	2016-02-09	cif/6/ (antanas@kurmis) Removing the _[local]_cod_text data item from multiple entries in range 6, since it held the same information as other data items in the entries (bibliography data items, for example). Also, bibliography was updated in several entries.	6000557.cif
130149	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	6000557.cif
120070	2014-07-11	cif/ (saulius@koala.ibt.lt) Adding DOIs for structures in ranges 5, 6 and 8.	6000557.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	6000557.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.	6000557.cif
878	2009-11-19	cif/6/ Splitting the corrected 6.cif file, adding the splitted range 6 files: cif_split_primitive -o 6/ < 6.cif	6000557.cif