Information card for entry 7106957

Structure parameters

• Formula: C42 H54 B O3 Sc
• Calculated formula: C42 H54 B O3 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: 31.6886 ± 0.0018 Å
• b: 9.9269 ± 0.0006 Å
• c: 23.1586 ± 0.0013 Å
• α: 90°
• β: 93.994 ± 0.001°
• γ: 90°
• Cell volume: 7267.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No