Crystallography Open Database

Information card for entry 7203566

7203565 << 7203566 >> 7203567

Preview

Coordinates	7203566.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonlyl)imide
Chemical name	1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonlyl)imide
Formula	C8 H11 F6 N3 O4 S2
Calculated formula	C8 H11 F6 N3 O4 S2
SMILES	S(=O)([O-])(C(F)(F)F)=NS(=O)(=O)C(F)(F)F.n1(c[n+](cc1)C)CC
Title of publication	In situ crystallization of ionic liquids with melting points below ?25 ?C
Authors of publication	Choudhury, Angshuman R.; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I.; Johnson, Kathleen A.
Journal of publication	CrystEngComm
Year of publication	2006
Journal volume	8
Journal issue	10
Pages of publication	742
a	18.499 ± 0.009 Å
b	8.626 ± 0.008 Å
c	19.255 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	3073 ± 4 Å³
Cell temperature	230 K
Ambient diffraction temperature	230 ± 0.2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.1465
Residual factor for significantly intense reflections	0.0823
Weighted residual factors for significantly intense reflections	0.1936
Weighted residual factors for all reflections included in the refinement	0.2225
Goodness-of-fit parameter for all reflections included in the refinement	0.948
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
180366 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/35.	7203566.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203566.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203566.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7203566.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203566.cif