Information card for entry 7028115

Structure parameters

• Formula: C30 H56 Al Li N2 O2 Si3
• Calculated formula: C30 H56 Al Li N2 O2 Si3
• SMILES: [AlH]1([NH](c2ccccc2)[Li]([O]2CCCC2)([O]2CCCC2)[NH]1c1ccccc1)C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Reactions of the alkyltrihydroaluminate [Li(thf )2{AlH3[C(SiMe3)3]}]2. Crystal structures of [Li(tmen)2][AlH3{C(SiMe3)3}], [AlBr2{C(SiMe3)3}]·thf, [AlI2{C(SiMe3)3}]·thf, [Li(thf )2(μ-NHPh)2{AlH[C(SiMe3)3]}] and [Li(thf )4][Al(NHPh)3{C(SiMe3)3}]
• Authors of publication: Al-Juaid, Salih S.; Eaborn, Colin; Gorrell, Ian B.; Hawkes, Simon A.; Hitchcock, Peter B.; Smith, J. David
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 14
• Pages of publication: 2411
• a: 9.549 ± 0.003 Å
• b: 16.885 ± 0.005 Å
• c: 21.913 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3533.1 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1343
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections: 0.2268
• Weighted residual factors for significantly intense reflections: 0.1915
• Goodness-of-fit parameter for all reflections: 1.035
• Goodness-of-fit parameter for significantly intense reflections: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No