Information card for entry 7009654

Structure parameters

• Common name: [(tsi)Al(SMe)3Li(thf)2]
• Formula: C21 H52 Al Li O2 S3 Si3
• Calculated formula: C21 H52 Al Li O2 S3 Si3
• SMILES: [Al]1([S](C)[Li]([S]1C)([O]1CCCC1)[O]1CCCC1)(SC)C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Syntheses and crystal structures of some lithium di- and tri-(thiolato)[tris(trimethylsilyl)methyl]aluminates
• Authors of publication: Chen, Wu-Yong; Eaborn, Colin; Gorrell, Ian B.; Hitchcock, Peter B.; Smith, J. David
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 14
• Pages of publication: 2313
• a: 16.891 ± 0.006 Å
• b: 9.826 ± 0.004 Å
• c: 19.456 ± 0.011 Å
• α: 90°
• β: 98.45 ± 0.04°
• γ: 90°
• Cell volume: 3194 ± 3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0921
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections: 0.2256
• Weighted residual factors for significantly intense reflections: 0.2032
• Goodness-of-fit parameter for all reflections: 1.077
• Goodness-of-fit parameter for significantly intense reflections: 1.115
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No