Information card for entry 4072871

Structure parameters

• Formula: C39 H63 Al N2
• Calculated formula: C39 H63 Al N2
• SMILES: [Al]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)c1c(cccc1C(C)C)C(C)C)(CC)CC
• Title of publication: Synthesis of HC[(CBut)(NAr)]2Al (Ar = 2,6-Pri2C6H3) and Its Reaction with Isocyanides, a Bulky Azide, and H2O
• Authors of publication: Li, Xiaofei; Cheng, Xiaoyan; Song, Haibin; Cui, Chunming
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 4
• Pages of publication: 1039
• a: 12.511 ± 0.003 Å
• b: 18.267 ± 0.004 Å
• c: 18.81 ± 0.004 Å
• α: 77.87 ± 0.004°
• β: 70.988 ± 0.003°
• γ: 70.924 ± 0.003°
• Cell volume: 3815.2 ± 1.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1265
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.1968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No