Information card for entry 4072873

Structure parameters

• Formula: C35 H53 Al N2
• Calculated formula: C35 H53 Al N2
• SMILES: [Al]1N(C(=CC(=[N]1c1c(C(C)C)cccc1C(C)C)C(C)(C)C)C(C)(C)C)c1c(C(C)C)cccc1C(C)C
• 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: 23.748 ± 0.004 Å
• b: 8.5153 ± 0.0015 Å
• c: 17.376 ± 0.003 Å
• α: 90°
• β: 108.731 ± 0.003°
• γ: 90°
• Cell volume: 3327.7 ± 1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No