Crystallography Open Database

Information card for entry 1504355

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Structure parameters

Formula	C8 H11 F6 Li N2 O6 S2
Calculated formula	C8 H11 F6 Li N2 O6 S2
Title of publication	Cation-anion interactions in 1-ethyl-3-methylimidazolium trifluoromethanesulfonate-based ionic liquid electrolytes.
Authors of publication	Burba, Christopher M.; Rocher, Nathalie M.; Frech, Roger; Powell, Douglas R.
Journal of publication	The journal of physical chemistry. B
Year of publication	2008
Journal volume	112
Journal issue	10
Pages of publication	2991 - 2995
a	10.105 ± 0.003 Å
b	18.676 ± 0.005 Å
c	8.512 ± 0.002 Å
α	90°
β	94.012 ± 0.007°
γ	90°
Cell volume	1602.5 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.1023
Residual factor for significantly intense reflections	0.0679
Weighted residual factors for significantly intense reflections	0.1884
Weighted residual factors for all reflections included in the refinement	0.2041
Goodness-of-fit parameter for all reflections included in the refinement	1.139
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
301775 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure.	1504355.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1504355.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504355.cif
41979	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504355 via cif-deposit CGI script.	1504355.cif