Information card for entry 4108112

Structure parameters

• Formula: C20 H33 Al B9 N
• Calculated formula: C20 H33 Al B9 N
• SMILES: [Al]12345([N](CC[C]6784[BH]49%10[BH]%11%12%13[BH]%1464[BH]46%11[BH]%11%15%12[BH]%129%13[BH]1%11([BH]24%15[BH]37%146)[C]58%10%12C)(Cc1ccccc1)Cc1ccccc1)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: 8.524 ± 0.01 Å
• b: 9.517 ± 0.012 Å
• c: 14.591 ± 0.019 Å
• α: 101.15 ± 0.03°
• β: 95.1 ± 0.03°
• γ: 95.52 ± 0.03°
• Cell volume: 1149 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2808
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.1542
• Weighted residual factors for all reflections included in the refinement: 0.2158
• Goodness-of-fit parameter for all reflections included in the refinement: 0.736
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No