Information card for entry 7106956

Structure parameters

• Formula: C17 H31 O2 Sc
• Calculated formula: C17 H31 O2 Sc
• Title of publication: Allyl complexes of scandium: synthesis and structure of neutral, cationic and anionic derivatives
• Authors of publication: Sabine Standfuss; Elise Abinet; Thomas P. Spaniol; Jun Okuda
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 11441
• a: 14.341 ± 0.006 Å
• b: 21.027 ± 0.009 Å
• c: 11.963 ± 0.005 Å
• α: 90°
• β: 104.738 ± 0.007°
• γ: 90°
• Cell volume: 3489 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1171
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.1986
• Weighted residual factors for all reflections included in the refinement: 0.2238
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No