Information card for entry 7012772

Structure parameters

• Common name: [C6H4{NH(CH2tBu)(AlMe3)}2]
• Formula: C22 H46 Al2 N2
• Calculated formula: C22 H46 Al2 N2
• SMILES: [Al]([NH](c1cc([NH]([Al](C)(C)C)CC(C)(C)C)ccc1)CC(C)(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: 9.8445 ± 0.0002 Å
• b: 10.7407 ± 0.0004 Å
• c: 13.019 ± 0.0004 Å
• α: 98.74 ± 0.002°
• β: 99.44 ± 0.002°
• γ: 97.884 ± 0.002°
• Cell volume: 1323.5 ± 0.07 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: 0.0599
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No