Crystallography Open Database

Information card for entry 4302855

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Structure parameters

Chemical name	N-butyl-N-Methylpiperidinium difluorophosphate
Formula	C10 H22 F2 N O2 P
Calculated formula	C10 H22 F2 N O2 P
Title of publication	A New Series of Ionic Liquids Based on the Difluorophosphate Anion
Authors of publication	Kazuhiko Matsumoto; Rika Hagiwara
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	7350 - 7358
a	9.781 ± 0.0004 Å
b	17.111 ± 0.0005 Å
c	15.6039 ± 0.0007 Å
α	90°
β	92.977 ± 0.004°
γ	90°
Cell volume	2607.99 ± 0.18 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
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	0.0594
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.1302
Weighted residual factors for all reflections included in the refinement	0.1648
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301836 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure.	4302855.cif
179066	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/28.	4302855.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4302855.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4302855.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4302855.cif