Information card for entry 7012771

Structure parameters

• Common name: [{(C6H4(NCH2tBu)2)AlCl}2]'
• Formula: C32 H52 Al2 Cl2 N4
• Calculated formula: C32 H52 Al2 Cl2 N4
• SMILES: [Al]12([N](c3c(N1CC(C)(C)C)cccc3)(CC(C)(C)C)[Al]1(Cl)[N]2(c2c(N1CC(C)(C)C)cccc2)CC(C)(C)C)Cl
• Title of publication: A comparative study of the behaviour of N-trimethylsilyl and N-neopentyl-anilines and 1,2-diaminobenzenes towards trimethylalane; X-ray structures of nine Al‒N compounds
• Authors of publication: Bezombes, Jean-Philippe; Gehrhus, Barbara; Hitchcock, Peter B.; Lappert, Michael F.; Merle, Philippe G.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 9
• Pages of publication: 1821
• a: 12.0101 ± 0.0007 Å
• b: 14.875 ± 0.0009 Å
• c: 20.3163 ± 0.001 Å
• α: 90°
• β: 106.504 ± 0.003°
• γ: 90°
• Cell volume: 3480 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0569
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No