Information card for entry 4310920

Structure parameters

• Chemical name: 1-butyl-2,3-dimethylimidazolium hydrogensulfate
• Formula: C9 H17 N2 O4 S
• Calculated formula: C9 H18 N2 O4 S
• Title of publication: Hydrogen Bonding in the Crystal Structures of the Ionic Liquid Compounds Butyldimethylimidazolium Hydrogen Sulfate, Chloride, and Chloroferrate(II,III)
• Authors of publication: Philipp Kölle; Richard Dronskowski
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 2803 - 2809
• a: 13.602 ± 0.003 Å
• b: 10.525 ± 0.002 Å
• c: 17.336 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2481.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0694
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No