Crystallography Open Database

Information card for entry 1518224

Preview

Coordinates	1518224.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(EC)2:LiBF4
Formula	C6 H8 B F4 Li O6
Calculated formula	C6 H8 B F4 Li O6
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	31.63 ± 0.009 Å
b	5.1779 ± 0.0015 Å
c	12.978 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2125.5 ± 1.1 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0807
Residual factor for significantly intense reflections	0.0592
Weighted residual factors for significantly intense reflections	0.1345
Weighted residual factors for all reflections included in the refinement	0.1469
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	1518224.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.	1518224.cif
126625	2014-11-07	cif/ Adding structures of 1518222, 1518223, 1518224, 1518225, 1518226, 1518227, 1518228, 1518229, 1518230 via cif-deposit CGI script.	1518224.cif