Crystallography Open Database

Information card for entry 1554051

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Coordinates	1554051.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H8 B F4 Li O2 S
Calculated formula	C4 H8 B F4 Li O2 S
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	5.156 ± 0.0011 Å
b	8.8536 ± 0.0017 Å
c	18.337 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	837.1 ± 0.3 Å³
Cell temperature	223 K
Ambient diffraction temperature	223 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	0.0529
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.1128
Weighted residual factors for all reflections included in the refinement	0.1177
Goodness-of-fit parameter for all reflections included in the refinement	0.88
Diffraction radiation probe	x-ray
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
236500 (current)	2019-11-24	cif/ Adding structures of 1554051 via cif-deposit CGI script.	1554051.cif