Crystallography Open Database

Information card for entry 7247523

Preview

Coordinates	7247523.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H32 F6 Li O8 P S4
Calculated formula	C16 H32 F6 Li O8 P S4
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	16.7168 ± 0.0007 Å
b	8.3892 ± 0.0003 Å
c	19.5667 ± 0.0008 Å
α	90°
β	100.287 ± 0.004°
γ	90°
Cell volume	2699.94 ± 0.19 Å³
Cell temperature	223 K
Ambient diffraction temperature	223 K
Number of distinct elements	7
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	0.0596
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.1069
Weighted residual factors for all reflections included in the refinement	0.1187
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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.	7247523.cif
287034	2023-10-19	cif/ Adding structures of 7247523, 7247524 via cif-deposit CGI script.	7247523.cif