Crystallography Open Database

Information card for entry 1571422

Preview

Coordinates	1571422.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H19 F3 Li N O4 S2
Calculated formula	C10 H19 F3 Li N O4 S2
Title of publication	Evolving better solvate electrolytes for lithium secondary batteries.
Authors of publication	Philippi, Frederik; Middendorf, Maleen; Shigenobu, Keisuke; Matsuyama, Yuna; Palumbo, Oriele; Pugh, David; Sudoh, Taku; Dokko, Kaoru; Watanabe, Masayoshi; Schönhoff, Monika; Shinoda, Wataru; Ueno, Kazuhide
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	19
Pages of publication	7342 - 7358
a	24.3674 ± 0.0012 Å
b	5.7733 ± 0.0002 Å
c	24.0521 ± 0.0008 Å
α	90°
β	105.238 ± 0.004°
γ	90°
Cell volume	3264.7 ± 0.2 Å³
Cell temperature	223.15 K
Ambient diffraction temperature	223.15 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0767
Residual factor for significantly intense reflections	0.0639
Weighted residual factors for significantly intense reflections	0.1895
Weighted residual factors for all reflections included in the refinement	0.1994
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
292890 (current)	2024-07-05	cif/ Updating files of 1571419, 1571420, 1571421, 1571422, 1571423, 1571424 Original log message: Adding full bibliography for 1571419--1571424.cif.	1571422.cif
291198	2024-04-16	cif/ Adding structures of 1571419, 1571420, 1571421, 1571422, 1571423, 1571424 via cif-deposit CGI script.	1571422.cif