Crystallography Open Database

Information card for entry 1563411

Preview

Coordinates	1563411.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H6 B F4 Li O2 S
Calculated formula	C2 H6 B F4 Li O2 S
Title of publication	Structural Effects of Solvents on Li-Ion-Hopping Conduction in Highly Concentrated LiBF<sub>4</sub>/Sulfone Solutions.
Authors of publication	Ugata, Yosuke; Sasagawa, Shohei; Tatara, Ryoichi; Ueno, Kazuhide; Watanabe, Masayoshi; Dokko, Kaoru
Journal of publication	The journal of physical chemistry. B
Year of publication	2021
Journal volume	125
Journal issue	24
Pages of publication	6600 - 6608
a	5.1068 ± 0.0004 Å
b	8.5769 ± 0.0006 Å
c	17.3195 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	758.6 ± 0.09 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 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	0.0505
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.1131
Weighted residual factors for all reflections included in the refinement	0.1162
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
266972 (current)	2021-07-04	cif/ Updating files of 1563411 Original log message: Adding full bibliography for 1563411.cif.	1563411.cif
266443	2021-06-15	cif/ Adding structures of 1563411 via cif-deposit CGI script.	1563411.cif