Information card for entry 4106031

Structure parameters

• Formula: C12 H36 Al3 Ce
• Calculated formula: C12 H36 Al3 Ce
• SMILES: [Ce]123([CH3][Al]([CH3]3)(C)C)([CH3][Al]([CH3]1)(C)C)[CH3][Al]([CH3]2)(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: 17.8247 ± 0.0013 Å
• b: 18.2909 ± 0.0012 Å
• c: 13.7888 ± 0.001 Å
• α: 90°
• β: 108.531 ± 0.006°
• γ: 90°
• Cell volume: 4262.5 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0806
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.56085 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No