Information card for entry 7004070

Structure parameters

• Formula: C10 H26 B11 N
• Calculated formula: C10 H26 B11 N
• SMILES: [n+]1(ccccc1)CCCC.[CH]1234[BH]567[BH]891[BH]1%102[BH]2%113[BH]345[BH]452[BH]21%11[BH]18%10[BH]869[BH]734[BH]5218
• 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: 9.4426 ± 0.0007 Å
• b: 10.645 ± 0.0008 Å
• c: 34.386 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3456.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0375
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No