Information card for entry 2240428

Structure parameters

• Chemical name: 1-Butyl-2,3-dimethylimidazolium dicarba-7,8-<i>nido</i>-undecaborate
• Formula: C11 H29 B9 N2
• Calculated formula: C11 H29 B9 N2
• SMILES: n1(C)c([n+](cc1)CCCC)C.[CH]123[CH]45[BH]671[BH]182[BH]23[BH]39%10[BH]%114([BH]456[BH]571[BH]823[BH]9%1145)[H]%10
• Title of publication: Crystal structure of 1-butyl-2,3-dimethylimidazolium dicarba-7,8-<i>nido</i>-undecaborate
• Authors of publication: Klemes, M. J.; Soderstrom, L.; Hunting, J. L.; Larsen, A. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 3
• Pages of publication: o183
• a: 9.5242 ± 0.0002 Å
• b: 11.5173 ± 0.0002 Å
• c: 16.3357 ± 0.0003 Å
• α: 90°
• β: 104.821 ± 0.001°
• γ: 90°
• Cell volume: 1732.3 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0503
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes