Information card for entry 4108110

Structure parameters

• Formula: C7 H24 Al B9 N
• Calculated formula: C7 H25 Al B9 N
• SMILES: [Al]1([N](C[C]234[CH]56[BH]782[BH]29%10[BH]%1157[BH]572[BH]2%129[BH]38%10[BH]14%12[BH]172[H][BH]6%1151)(C)C)(C)C
• Title of publication: Dicarbollylamine Ligand as a Tunable Template for σ,σ- and π,σ-Bonding Modes: Syntheses, Structures, and Theoretical Studies of η5:η1-Coordinated Constrained-Geometry Group 13 Metal Complexes
• Authors of publication: Jong-Dae Lee; Sung-Kwan Kim; Tae-Jin Kim; Won-Sik Han; Young-Joo Lee; Dae-Hwan Yoo; Minserk Cheong; Jaejung Ko; Sang Ook Kang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 9904 - 9917
• a: 19.109 ± 0.007 Å
• b: 7.275 ± 0.003 Å
• c: 11.101 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1543.2 ± 1 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1452
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.1959
• Weighted residual factors for all reflections included in the refinement: 0.2294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No