Crystallography Open Database

Information card for entry 7239244

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Structure parameters

Chemical name	4,5-diiodo-1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)amide
Formula	C8 H9 F6 I2 N3 O4 S2
Calculated formula	C8 H9 F6 I2 N3 O4 S2
Title of publication	4,5-Dihaloimidazolium-based ionic liquids: effects of halogen-bonding on crystal structures and ionic conductivity
Authors of publication	Mukai, Tomohiro; Nishikawa, Keiko
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	43
Pages of publication	19952
a	8.2841 ± 0.0004 Å
b	16.116 ± 0.0008 Å
c	26.3361 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	3516 ± 0.3 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0466
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0654
Weighted residual factors for all reflections included in the refinement	0.0704
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
301866 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure.	7239244.cif
244616	2019-11-28	cif/ Adding structures of 7239244, 7239245 via cif-deposit CGI script.	7239244.cif