Information card for entry 4080175

Structure parameters

• Formula: C32 H49 Al N2
• Calculated formula: C32 H49 Al N2
• SMILES: [Al]1(N(c2c(cccc2C(C)C)C(C)C)C(C(=[N]1c1c(cccc1C(C)C)C(C)C)C)=C)(CC)CC
• 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: 9.1208 ± 0.0018 Å
• b: 9.921 ± 0.002 Å
• c: 18.795 ± 0.004 Å
• α: 86.61 ± 0.03°
• β: 83.07 ± 0.03°
• γ: 65.02 ± 0.03°
• Cell volume: 1530.3 ± 0.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1778
• Weighted residual factors for all reflections included in the refinement: 0.1943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No