Information card for entry 4080174

Structure parameters

• Formula: C32 H50 Al N2
• Calculated formula: C32 H50 Al N2
• SMILES: [Al]1(CC)(CC)[N](=C(C(C)=[N]1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C
• 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: 10.106 ± 0.003 Å
• b: 14.562 ± 0.003 Å
• c: 20.551 ± 0.005 Å
• α: 90°
• β: 93.202 ± 0.008°
• γ: 90°
• Cell volume: 3019.6 ± 1.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 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: 0.0794
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1764
• Weighted residual factors for all reflections included in the refinement: 0.189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No