Information card for entry 4128880

Structure parameters

• Formula: C18 H39 Al2 Sc
• Calculated formula: C18 H39 Al2 Sc
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Sc]162345([CH3][Al]([CH3]1)(C)C)[CH3][Al]([CH3]6)(C)C)C)C)C)C
• Title of publication: Trimethylscandium.
• Authors of publication: Barisic, Damir; Diether, Dominic; Maichle-Mössmer, Cäcilia; Anwander, Reiner
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 35
• Pages of publication: 13931 - 13940
• a: 14.335 ± 0.002 Å
• b: 16.914 ± 0.003 Å
• c: 54.801 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13287 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1479
• Residual factor for significantly intense reflections: 0.1006
• Weighted residual factors for significantly intense reflections: 0.2019
• Weighted residual factors for all reflections included in the refinement: 0.2232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No