Crystallography Open Database

Information card for entry 1518284

Preview

Coordinates	1518284.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	DS938
Chemical name	(G3)-LiTFSI
Formula	C10 H18 F6 Li N O8 S2
Calculated formula	C10 H18 F6 Li N O8 S2
SMILES	S1(O[Li]234([O](C)CC[O]2CC[O]3CC[O]4C)[O]=S(=O)(N=1)C(F)(F)F)(=O)C(F)(F)F
Title of publication	Solvate structures and spectroscopic characterization of LiTFSI electrolytes.
Authors of publication	Seo, Daniel M.; Boyle, Paul D.; Sommer, Roger D.; Daubert, James S.; Borodin, Oleg; Henderson, Wesley A.
Journal of publication	The journal of physical chemistry. B
Year of publication	2014
Journal volume	118
Journal issue	47
Pages of publication	13601 - 13608
a	28.7748 ± 0.0018 Å
b	8.5669 ± 0.0005 Å
c	17.3887 ± 0.0011 Å
α	90°
β	113.895 ± 0.004°
γ	90°
Cell volume	3919.1 ± 0.4 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1386
Residual factor for significantly intense reflections	0.0762
Weighted residual factors for significantly intense reflections	0.1821
Weighted residual factors for all reflections included in the refinement	0.2388
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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.	1518284.cif
131409	2015-02-07	cif/ Updating files of 1518282, 1518283, 1518284, 1518285 Original log message: Adding full bibliography for 1518282--1518285.cif.	1518284.cif
127730	2014-11-21	cif/ Adding structures of 1518282, 1518283, 1518284, 1518285 via cif-deposit CGI script.	1518284.cif