Information card for entry 7215770

Structure parameters

• Common name: EMImTDI
• Chemical name: 1-Ethyl-3-methylimidazolium 4,5-dicyano-2-(trifluoromethyl)imidazole
• Formula: C12 H11 F3 N6
• Calculated formula: C12 H11 F3 N6
• SMILES: FC(F)(F)c1[n-]c(c(n1)C#N)C#N.n1(c[n+](CC)cc1)C
• Title of publication: Lithium cation conducting TDI anion-based ionic liquids.
• Authors of publication: Niedzicki, Leszek; Karpierz, Ewelina; Zawadzki, Maciej; Dranka, Maciej; Kasprzyk, Marta; Zalewska, Aldona; Marcinek, Marek; Zachara, Janusz; Domańska, Urszula; Wieczorek, Władysław
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 23
• Pages of publication: 11417 - 11425
• a: 8.63283 ± 0.00015 Å
• b: 8.86281 ± 0.00012 Å
• c: 10.25772 ± 0.00013 Å
• α: 87.4723 ± 0.0011°
• β: 78.8034 ± 0.0013°
• γ: 66.0794 ± 0.0015°
• Cell volume: 703.24 ± 0.02 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No