Crystallography Open Database

Information card for entry 1571419

Preview

Coordinates	1571419.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H3 F3 Li N O3 S
Calculated formula	C3 H3 F3 Li N O3 S
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	63.7924 ± 0.001 Å
b	9.6005 ± 0.0001 Å
c	17.2224 ± 0.0002 Å
α	90°
β	90.202 ± 0.001°
γ	90°
Cell volume	10547.6 ± 0.2 Å³
Cell temperature	223.15 K
Ambient diffraction temperature	223.15 K
Number of distinct elements	7
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0624
Residual factor for significantly intense reflections	0.0568
Weighted residual factors for significantly intense reflections	0.1364
Weighted residual factors for all reflections included in the refinement	0.1406
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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.	1571419.cif
291198	2024-04-16	cif/ Adding structures of 1571419, 1571420, 1571421, 1571422, 1571423, 1571424 via cif-deposit CGI script.	1571419.cif