Information card for entry 4080176

Structure parameters

• Formula: C28 H40 B Cl N2
• Calculated formula: C28 H40 B Cl N2
• SMILES: B1(N(C(=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)Cl
• Title of publication: Synthesis and Reactions of a Redox-Active α-Diimine Aluminum Complex
• Authors of publication: Li, Jianfeng; Zhang, Kun; Huang, Hanmin; Yu, Ao; Hu, Hongfan; Cui, Haiyan; Cui, Chunming
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 6
• Pages of publication: 1630
• a: 12.086 ± 0.004 Å
• b: 16.987 ± 0.005 Å
• c: 13.148 ± 0.004 Å
• α: 90°
• β: 100.534 ± 0.007°
• γ: 90°
• Cell volume: 2653.9 ± 1.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0494
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No