Information card for entry 4128879

Structure parameters

• Formula: C24 H42 Al Sc
• Calculated formula: C24 H42 Al Sc
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Sc]167892345([c]2([c]8([c]7([c]6([c]12C)C)C)C)C)[CH3][Al]([CH3]9)(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: 11.21 ± 0.02 Å
• b: 14.35 ± 0.03 Å
• c: 14.56 ± 0.03 Å
• α: 84.12 ± 0.02°
• β: 89.11 ± 0.02°
• γ: 88.79 ± 0.05°
• Cell volume: 2329 ± 8 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: 0.0867
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1265
• 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