Crystallography Open Database

Information card for entry 7247524

Preview

Coordinates	7247524.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H8 F3 Li O5 S2
Calculated formula	C5 H8 F3 Li O4.9993 S2
Title of publication	High-concentration LiPF<sub>6</sub>/sulfone electrolytes: structure, transport properties, and battery application.
Authors of publication	Ugata, Yosuke; Chen, Yichuan; Miyazaki, Shuhei; Sasagawa, Shohei; Ueno, Kazuhide; Watanabe, Masayoshi; Dokko, Kaoru
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2023
Journal volume	25
Journal issue	43
Pages of publication	29566 - 29575
a	8.5408 ± 0.0008 Å
b	23.905 ± 0.002 Å
c	10.7593 ± 0.0008 Å
α	90°
β	91.014 ± 0.007°
γ	90°
Cell volume	2196.4 ± 0.3 Å³
Cell temperature	223 K
Ambient diffraction temperature	223 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.067
Residual factor for significantly intense reflections	0.0568
Weighted residual factors for significantly intense reflections	0.1538
Weighted residual factors for all reflections included in the refinement	0.1631
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation probe	x-ray
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
288904 (current)	2024-01-06	cif/ Updating files of 7247523, 7247524 Original log message: Adding full bibliography for 7247523--7247524.cif.	7247524.cif
287034	2023-10-19	cif/ Adding structures of 7247523, 7247524 via cif-deposit CGI script.	7247524.cif