Information card for entry 4084464

Structure parameters

• Formula: C27 H63 Al Si6
• Calculated formula: C27 H63 Al Si6
• SMILES: [Al]([C@@H]([Si](C)(C)C)/C=C/[Si](C)(C)C)([C@H]([Si](C)(C)C)/C=C/[Si](C)(C)C)[C@@H]([Si](C)(C)C)/C=C/[Si](C)(C)C.[Al]([C@H]([Si](C)(C)C)/C=C/[Si](C)(C)C)([C@@H]([Si](C)(C)C)/C=C/[Si](C)(C)C)[C@H]([Si](C)(C)C)/C=C/[Si](C)(C)C
• Title of publication: Mechanochemical Synthesis of [1,3-(SiMe3)2C3H3]3(Al,Sc), a Base-Free Tris(allyl)aluminum Complex and Its Scandium Analogue
• Authors of publication: Rightmire, Nicholas R.; Hanusa, Timothy P.; Rheingold, Arnold L.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 21
• Pages of publication: 5952
• a: 10.263 ± 0.0004 Å
• b: 12.7306 ± 0.0005 Å
• c: 15.8391 ± 0.0006 Å
• α: 76.909 ± 0.0014°
• β: 87.396 ± 0.0015°
• γ: 81.868 ± 0.0015°
• Cell volume: 1995.2 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0657
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No