Information card for entry 7004071

Structure parameters

• Formula: C11 H26 B9 N
• Calculated formula: C11 H26 B9 N
• SMILES: [n+]1(ccccc1)CCCC.[CH]123[CH]45[BH]67[BH]89%10[H][BH]%1118[BH]18%10[BH]%1079[BH]756[BH]524[BH]3%111[BH]8%1075
• 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: 9.2643 ± 0.0009 Å
• b: 12.1189 ± 0.0014 Å
• c: 14.5636 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1635.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No