Crystallography Open Database

Information card for entry 1501675

Preview

Coordinates	1501675.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1,3-dimethylimidazolium mu3-fluoro-tris(fluorohydrogenate)
Formula	C5 H12 F4 N2
Calculated formula	C5 H12 F4 N2
SMILES	[F-]([H]F)([H]F)[H]F.n1(cc[n+](c1)C)C
Title of publication	Ion−Ion Interactions and Conduction Mechanism of Highly Conductive Fluorohydrogenate Ionic Liquids
Authors of publication	Enomoto, Takeshi; Nakamori, Yoji; Matsumoto, Kazuhiko; Hagiwara, Rika
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2011
Journal volume	115
Journal issue	10
Pages of publication	4324
a	5.598 ± 0.0002 Å
b	10.6076 ± 0.0004 Å
c	14.5523 ± 0.0007 Å
α	90°
β	92.713 ± 0.001°
γ	90°
Cell volume	863.17 ± 0.06 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0386
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0888
Weighted residual factors for all reflections included in the refinement	0.0929
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1501675.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1501675.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1501675.cif
35030	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1501675 via cif-deposit CGI script.	1501675.cif