Crystallography Open Database

Information card for entry 1501674

Preview

Coordinates	1501674.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1,3-dimethylimidazolium mu-fluoro-bis(fluorohydrogenate)
Formula	C5 H11 F3 N2
Calculated formula	C5 H11 F3 N2
SMILES	n1(cc[n+](C)c1)C.F[H][F-][H]F
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	7.357 ± 0.004 Å
b	8.151 ± 0.005 Å
c	8.444 ± 0.005 Å
α	59.374 ± 0.017°
β	61.691 ± 0.014°
γ	65.709 ± 0.016°
Cell volume	373.9 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1178
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for significantly intense reflections	0.0958
Weighted residual factors for all reflections included in the refinement	0.1523
Goodness-of-fit parameter for all reflections included in the refinement	1.261
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.	1501674.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1501674.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1501674.cif
35029	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1501674 via cif-deposit CGI script.	1501674.cif