Information card for entry 7028111

Structure parameters

• Formula: C44 H77 Al Li N3 O4 Si3
• Calculated formula: C44 H77 Al Li N3 O4 Si3
• SMILES: [Al](Nc1ccccc1)(Nc1ccccc1)(Nc1ccccc1)C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• 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: 16.087 ± 0.005 Å
• b: 16.907 ± 0.006 Å
• c: 18.36 ± 0.011 Å
• α: 90°
• β: 98.59 ± 0.04°
• γ: 90°
• Cell volume: 4938 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.1453
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections: 0.1919
• Weighted residual factors for significantly intense reflections: 0.1527
• Goodness-of-fit parameter for all reflections: 1.017
• Goodness-of-fit parameter for significantly intense reflections: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No