Crystallography Open Database

Information card for entry 1518230

Preview

Coordinates	1518230.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(GBL)1:LiCF3SO3
Formula	C15 H18 F9 Li3 O15 S3
Calculated formula	C15 H18 F9 Li3 O15 S3
Title of publication	Structural Interactions within Lithium Salt Solvates: Cyclic Carbonates and Esters
Authors of publication	Seo, Daniel M.; Afroz, Taliman; Allen, Joshua L.; Boyle, Paul D.; Trulove, Paul C.; De Long, Hugh C.; Henderson, Wesley A.
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2014
Journal volume	118
Journal issue	45
Pages of publication	25884
a	10.4705 ± 0.0004 Å
b	17.4648 ± 0.0007 Å
c	19.037 ± 0.0007 Å
α	90°
β	122.592 ± 0.0016°
γ	90°
Cell volume	2933 ± 0.2 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0916
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1406
Weighted residual factors for all reflections included in the refinement	0.1628
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	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 1.	1518230.cif
131412	2015-02-07	cif/ Updating files of 1518222, 1518223, 1518224, 1518225, 1518226, 1518227, 1518228, 1518229, 1518230 Original log message: Adding full bibliography for 1518222--1518230.cif.	1518230.cif
126625	2014-11-07	cif/ Adding structures of 1518222, 1518223, 1518224, 1518225, 1518226, 1518227, 1518228, 1518229, 1518230 via cif-deposit CGI script.	1518230.cif