Crystallography Open Database

Information card for entry 4118043

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Structure parameters

Formula	C9 H22 F6 P2
Calculated formula	C9 H22 F6 P2
SMILES	[P](F)(F)(F)(F)(F)[F-].[P+](C)(CC)(CC)CC(C)C
Title of publication	Structure and Transport Properties of a Plastic Crystal Ion Conductor: Diethyl(methyl)(isobutyl)phosphonium Hexafluorophosphate
Authors of publication	Liyu Jin; Kate M. Nairn; Craig M. Forsyth; Aaron J. Seeber; Douglas R. MacFarlane; Patrick C. Howlett; Maria Forsyth; Jennifer M. Pringle
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	9688 - 9697
a	12.9833 ± 0.0004 Å
b	14.3872 ± 0.0004 Å
c	15.1944 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2838.21 ± 0.14 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0537
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0878
Weighted residual factors for all reflections included in the refinement	0.0976
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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