Information card for entry 4128877

Structure parameters

• Formula: C19 H38 N3 Sc
• Calculated formula: C19 H38 N3 Sc
• SMILES: [Sc]12(C)(C)(C)[N]3(CC[N]1(CC[N]2(CC3)C)C)C.c1(ccccc1)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: 21.47 ± 0.011 Å
• b: 12.655 ± 0.007 Å
• c: 7.559 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2053.8 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0967
• Residual factor for significantly intense reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.2017
• Weighted residual factors for all reflections included in the refinement: 0.2159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No