Information card for entry 4072872

Structure parameters

• Formula: C61 H87 Al N4
• Calculated formula: C61 H87 Al N4
• SMILES: [Al]12(N(c3c(cccc3C(C)C)C(C)C)C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)N1c3c(cccc3C(C)(C)C1/C2=N\c1c(cccc1C(C)C)C(C)C)C(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: 12.544 ± 0.002 Å
• b: 14.444 ± 0.003 Å
• c: 18.624 ± 0.003 Å
• α: 73.795 ± 0.003°
• β: 88.767 ± 0.003°
• γ: 83.397 ± 0.003°
• Cell volume: 3218.6 ± 1 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: 0.1958
• Residual factor for significantly intense reflections: 0.0909
• Weighted residual factors for significantly intense reflections: 0.2276
• Weighted residual factors for all reflections included in the refinement: 0.2997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No