Crystallography Open Database

Information card for entry 7224778

Preview

Coordinates	7224778.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H9 F9 Li O9 P
Calculated formula	C9 H9 F9 Li O9 P
SMILES	[Li+].C1(=O)OC(CO1)F.C1(=O)OC(CO1)F.C1(=O)OC(CO1)F.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Spontaneous aggregation of lithium ion coordination polymers in fluorinated electrolytes for high-voltage batteries.
Authors of publication	Malliakas, Christos D.; Leung, Kevin; Pupek, Krzysztof Z.; Shkrob, Ilya A.; Abraham, Daniel P.
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2016
Journal volume	18
Journal issue	16
Pages of publication	10846 - 10849
a	13.0094 ± 0.0006 Å
b	13.0094 ± 0.0006 Å
c	5.5129 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	808.03 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.0506
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0966
Weighted residual factors for all reflections included in the refinement	0.1033
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
182800 (current)	2016-05-06	cif/ Updating files of 7224778 Original log message: Adding full bibliography for 7224778.cif.	7224778.cif
180681	2016-04-01	cif/ Adding structures of 7224778 via cif-deposit CGI script.	7224778.cif