Information card for entry 1501675

Structure parameters

• Chemical name: 1,3-dimethylimidazolium mu3-fluoro-tris(fluorohydrogenate)
• Formula: C5 H12 F4 N2
• Calculated formula: C5 H12 F4 N2
• SMILES: [F-]([H]F)([H]F)[H]F.n1(cc[n+](c1)C)C
• Title of publication: Ion−Ion Interactions and Conduction Mechanism of Highly Conductive Fluorohydrogenate Ionic Liquids
• Authors of publication: Enomoto, Takeshi; Nakamori, Yoji; Matsumoto, Kazuhiko; Hagiwara, Rika
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2011
• Journal volume: 115
• Journal issue: 10
• Pages of publication: 4324
• a: 5.598 ± 0.0002 Å
• b: 10.6076 ± 0.0004 Å
• c: 14.5523 ± 0.0007 Å
• α: 90°
• β: 92.713 ± 0.001°
• γ: 90°
• Cell volume: 863.17 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0386
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No