Crystallography Open Database

Information card for entry 1518228

Preview

Coordinates	1518228.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(GVL)1:LiClO4
Formula	C5 H8 Cl Li O6
Calculated formula	C5 H8 Cl 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	5.0857 ± 0.0012 Å
b	8.0239 ± 0.0018 Å
c	11.052 ± 0.003 Å
α	88.389 ± 0.004°
β	85.458 ± 0.009°
γ	73.193 ± 0.006°
Cell volume	430.37 ± 0.18 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0456
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.0945
Weighted residual factors for all reflections included in the refinement	0.0984
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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.	1518228.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.	1518228.cif
126625	2014-11-07	cif/ Adding structures of 1518222, 1518223, 1518224, 1518225, 1518226, 1518227, 1518228, 1518229, 1518230 via cif-deposit CGI script.	1518228.cif