Information card for entry 7004067

Structure parameters

• Common name: 1-hexylpyridinium methylcarborane
• Formula: C8 H23 B9 N2
• Calculated formula: C8 H23 B9 N2
• Title of publication: Designing ionic liquids with boron cluster anions: alkylpyridinium and imidazolium [nido-C2B9H11] and [closo-CB11H12] carborane salts
• Authors of publication: Dymon, John; Wibby, Ryan; Kleingardner, Jesse; Tanski, Joseph M.; Guzei, Ilia A.; Holbrey, John D.; Larsen, Anna S.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 22
• Pages of publication: 2999 - 3006
• a: 7.1768 ± 0.0006 Å
• b: 8.3083 ± 0.0007 Å
• c: 12.5616 ± 0.0011 Å
• α: 87.761 ± 0.001°
• β: 84.001 ± 0.001°
• γ: 82.906 ± 0.001°
• Cell volume: 738.95 ± 0.11 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 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: 0.1253
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.2396
• Weighted residual factors for all reflections included in the refinement: 0.2661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No