Crystallography Open Database

Information card for entry 7239245

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Coordinates	7239245.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4,5-dibromo-1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide
Formula	C8 H9 Br2 F6 N3 O4 S2
Calculated formula	C8 H9 Br2 F6 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	9.6737 ± 0.0005 Å
b	13.8295 ± 0.0008 Å
c	13.7694 ± 0.0008 Å
α	90°
β	106.979 ± 0.001°
γ	90°
Cell volume	1761.81 ± 0.17 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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	0.0635
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0785
Weighted residual factors for all reflections included in the refinement	0.0853
Goodness-of-fit parameter for all reflections included in the refinement	0.967
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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