Crystallography Open Database

Information card for entry 7239563

Preview

Coordinates	7239563.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	N-methyl-N-propylpiperidinium hexafluorophosphate
Chemical name	1-methyl-1-propylpiperidinium hexafluorophosphate
Formula	C9 H20 F6 N P
Calculated formula	C9 H20 F6.039 N P
Title of publication	Wide electrochemical window ionic salt for use in electropositive metal electrodeposition and solid state Li-ion batteries
Authors of publication	Murugesan, Sankaran; Quintero, Oliver A.; Chou, Brendan P.; Xiao, Penghao; Park, Kyusung; Hall, Justin W.; Jones, Richard A.; Henkelman, Graeme; Goodenough, John B.; Stevenson, Keith J.
Journal of publication	J. Mater. Chem. A
Year of publication	2014
Journal volume	2
Journal issue	7
Pages of publication	2194
a	13.019 ± 0.003 Å
b	15.518 ± 0.003 Å
c	14.001 ± 0.003 Å
α	90°
β	110.76 ± 0.03°
γ	90°
Cell volume	2645 ± 1.1 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0642
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1128
Weighted residual factors for all reflections included in the refinement	0.1218
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.710747 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
244773 (current)	2019-11-28	cif/ Adding structures of 7239563 via cif-deposit CGI script.	7239563.cif