Information card for entry 4067075

Structure parameters

• Formula: C46 H62 Al B O4
• Calculated formula: C46 H62 Al B O4
• SMILES: [Al]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)(CC=C)CC=C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O1CCCC1
• Title of publication: Bis(allyl)aluminum Cation, Tris(allyl)aluminum, and Tetrakis(allyl)aluminate: Synthesis, Characterization, and Reactivity†
• Authors of publication: Lichtenberg, Crispin; Robert, Dominique; Spaniol, Thomas P.; Okuda, Jun
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5714
• a: 12.073 ± 0.003 Å
• b: 13.12 ± 0.003 Å
• c: 14.328 ± 0.003 Å
• α: 70.859 ± 0.006°
• β: 82.787 ± 0.006°
• γ: 76.337 ± 0.006°
• Cell volume: 2080.5 ± 0.8 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0938
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No