Information card for entry 7012770

Structure parameters

• Common name: [Me2Al{C6H4(NHCH2tBu)(NCH2tBu)}]
• Formula: C18 H33 Al N2
• Calculated formula: C18 H33 Al N2
• SMILES: [Al]1([NH](c2c(N1CC(C)(C)C)cccc2)CC(C)(C)C)(C)C
• 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: 9.6526 ± 0.0005 Å
• b: 9.7157 ± 0.0005 Å
• c: 10.671 ± 0.0006 Å
• α: 90.773 ± 0.003°
• β: 96.342 ± 0.003°
• γ: 102.991 ± 0.003°
• Cell volume: 968.4 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0571
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No