Information card for entry 7012014

Structure parameters

• Common name: [{(Me3Si)3C}Al(thf)(OSiPh3)2]
• Formula: C50 H65 Al O3 Si5
• Calculated formula: C50 H65 Al O3 Si5
• SMILES: [Al](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)([O]1CCCC1)C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
• Title of publication: A crowded lithium diaryloxo{tris(trimethylsilyl)methyl}aluminate and a bis(triarylsiloxo){tris(trimethylsilyl)methyl}alane
• Authors of publication: Avent, Anthony G.; Eaborn, Colin; Gorrell, Ian B.; Hitchcock, Peter B.; Smith, J. David
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 21
• Pages of publication: 3971
• a: 9.596 ± 0.002 Å
• b: 21.418 ± 0.005 Å
• c: 24.212 ± 0.009 Å
• α: 90°
• β: 101.16 ± 0.02°
• γ: 90°
• Cell volume: 4882 ± 2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1166
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No