Information card for entry 4110887

Structure parameters

• Formula: C7 H23 Al B9 N
• Calculated formula: C7 H23 Al B9 N
• SMILES: [Al]12345([N](C[C]6784[BH]49%10[BH]%11%12%13[BH]%14%154[BH]4%16%11[BH]%11%17%12[BH]69%13[BH]37%17[BH]2%16%11[BH]1%144[C]58%10%15C)(C)C)C
• Title of publication: Constrained-Geometry Aluminum Complexes with η5;η1-Coordination: Syntheses, Structures, and Theoretical Studies of Dicarbollylamino Aluminum(III) Complexes
• Authors of publication: Ki-Chul Son; Young-Joo Lee; Minserk Cheong; Jaejung Ko; Sang Ook Kang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 12086 - 12087
• a: 7.8871 ± 0.0009 Å
• b: 15.6252 ± 0.0019 Å
• c: 12.3519 ± 0.0015 Å
• α: 90°
• β: 92.013 ± 0.003°
• γ: 90°
• Cell volume: 1521.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1351
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1758
• Weighted residual factors for all reflections included in the refinement: 0.2109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No