Crystallography Open Database

Information card for entry 1513736

Preview

Coordinates	1513736.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H12 F6 Li N O13 S2
Calculated formula	C11 H12 F6 Li N O13 S2
Title of publication	Concentrated electrolytes: decrypting electrolyte properties and reassessing Al corrosion mechanisms
Authors of publication	McOwen, Dennis W.; Seo, Daniel M.; Borodin, Oleg; Vatamanu, Jenel; Boyle, Paul D.; Henderson, Wesley A.
Journal of publication	Energy & Environmental Science
Year of publication	2014
Journal volume	7
Journal issue	1
Pages of publication	416
a	8.729 ± 0.003 Å
b	14.045 ± 0.005 Å
c	16.041 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	1966.6 ± 1.2 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	7
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.073
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.1138
Weighted residual factors for all reflections included in the refinement	0.1265
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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.	1513736.cif
105573	2014-03-12	cif/ Adding structures of 1513735, 1513736 via cif-deposit CGI script.	1513736.cif