Information card for entry 7004069

Structure parameters

• Formula: C13 H30 B9 N
• Calculated formula: C13 H29 B9 N
• SMILES: [n+]1(ccccc1)CCCCCC.[CH]123[CH]45[BH]67[BH]89[BH]%101[BH]1%113[BH]324[BH]257[BH]469[BH]8%101[BH]%11324
• 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: 7.1828 ± 0.0014 Å
• b: 31.617 ± 0.006 Å
• c: 8.3874 ± 0.0017 Å
• α: 90°
• β: 96.45 ± 0.03°
• γ: 90°
• Cell volume: 1892.7 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0803
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No