Crystallography Open Database

Information card for entry 1554052

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Coordinates	1554052.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H4 Cl Li O10 S
Calculated formula	C6.4 H12.8 Cl0.8 Li0.8 O6.4 S1.6
Title of publication	Direct Evidence for Li Ion Hopping Conduction in Highly Concentrated Sulfolane-Based Liquid Electrolytes.
Authors of publication	Dokko, Kaoru; Watanabe, Daiki; Ugata, Yosuke; Thomas, Morgan L.; Tsuzuki, Seiji; Shinoda, Wataru; Hashimoto, Kei; Ueno, Kazuhide; Umebayashi, Yasuhiro; Watanabe, Masayoshi
Journal of publication	The journal of physical chemistry. B
Year of publication	2018
Journal volume	122
Journal issue	47
Pages of publication	10736 - 10745
a	8.7664 ± 0.0013 Å
b	8.5519 ± 0.0019 Å
c	19.416 ± 0.005 Å
α	90°
β	94.157 ± 0.016°
γ	90°
Cell volume	1451.8 ± 0.5 Å³
Cell temperature	223 K
Ambient diffraction temperature	223 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.205
Residual factor for significantly intense reflections	0.084
Weighted residual factors for significantly intense reflections	0.1761
Weighted residual factors for all reflections included in the refinement	0.2298
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
236502 (current)	2019-11-24	cif/ Adding structures of 1554052 via cif-deposit CGI script.	1554052.cif