Crystallography Open Database

Information card for entry 4001479

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Coordinates	4001479.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	04088bbb
Chemical name	N-ethyl-N-methylpyrrolidinium bis(trifluoromethanesulfonyl)imide [Phase IV]
Formula	C9 H16 F6 N2 O4 S2
Calculated formula	C9 H16 F6 N2 O4 S2
SMILES	FC(S(=NS(C(F)(F)F)(=O)=O)(=O)[O-])(F)F.CC[N+]1(C)CCCC1
Title of publication	Plastic Phase Transitions inN-Ethyl-N-methylpyrrolidinium Bis(trifluoromethanesulfonyl)imide
Authors of publication	Henderson, Wesley A.; Young, Jr., Victor G.; Passerini, Stefano; Trulove, Paul C.; De Long, Hugh C.
Journal of publication	Chemistry of Materials
Year of publication	2006
Journal volume	18
Journal issue	4
Pages of publication	934 - 938
a	13.099 ± 0.003 Å
b	14.454 ± 0.003 Å
c	16.987 ± 0.004 Å
α	90°
β	97.546 ± 0.004°
γ	90°
Cell volume	3188.3 ± 1.2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0718
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1549
Weighted residual factors for all reflections included in the refinement	0.1613
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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