Information card for entry 4106029

Structure parameters

• Formula: C24 H60 Al3 O3 Sc
• Calculated formula: C24 H60 Al3 O3 Sc
• SMILES: [Al](C)(C)([O](CC(C)(C)C)[Sc]([O](CC(C)(C)C)[Al](C)(C)C)[O](CC(C)(C)C)[Al](C)(C)C)C
• Title of publication: Synthesis and Stability of Homoleptic Metal(III) Tetramethylaluminates
• Authors of publication: Giovanni Occhipinti; Christian Meermann; H. Martin Dietrich; Rannveig Litlabø; Florian Auras; Karl Wilhelm Törnroos; Cäcilia Maichle-Mössmer; Vidar R. Jensen; Reiner Anwander
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 6323 - 6337
• a: 15.8846 ± 0.0003 Å
• b: 15.8846 ± 0.0003 Å
• c: 8.6025 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1879.78 ± 0.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 159
• Hermann-Mauguin space group symbol: P 3 1 c
• Hall space group symbol: P 3 -2c
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No