Crystallography Open Database

Information card for entry 1513735

Preview

Coordinates	1513735.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H4 F6 Li N O7 S2
Calculated formula	C5 H4 F6 Li N O7 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	5.7951 ± 0.0001 Å
b	12.7103 ± 0.0002 Å
c	16.8547 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1241.47 ± 0.04 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0395
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0743
Weighted residual factors for all reflections included in the refinement	0.077
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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.	1513735.cif
105573	2014-03-12	cif/ Adding structures of 1513735, 1513736 via cif-deposit CGI script.	1513735.cif