Information card for entry 7010438

Structure parameters

• Formula: C32 H31 Al Cl2 N2
• Calculated formula: C32 H31 Al Cl2 N2
• SMILES: [Al]1([N](=C(C(=C(N1c1ccc(Cl)cc1)c1ccccc1)C)c1ccccc1)c1ccc(Cl)cc1)(CC)CC
• Title of publication: Reactions of amides with organoaluminium: a useful synthetic route to aluminium diketiminates †
• Authors of publication: Huang, Yi-Lun; Huang, Bor-Hunn; Ko, Bao-Tsan; Lin, Chu-Chieh
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 8
• Pages of publication: 1359
• a: 9.8996 ± 0.0007 Å
• b: 25.1651 ± 0.0018 Å
• c: 12.5368 ± 0.001 Å
• α: 90°
• β: 94.797 ± 0.002°
• γ: 90°
• Cell volume: 3112.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1503
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.2182
• Weighted residual factors for all reflections included in the refinement: 0.2463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.236
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No