Information card for entry 7106958

Structure parameters

• Formula: C56 H104 Mg O8 Sc2
• Calculated formula: C56 H104 Mg O8 Sc2
• 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: 13.0491 ± 0.0012 Å
• b: 11.3146 ± 0.001 Å
• c: 20.487 ± 0.0018 Å
• α: 90°
• β: 97.444 ± 0.004°
• γ: 90°
• Cell volume: 2999.3 ± 0.5 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2375
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1759
• Goodness-of-fit parameter for all reflections included in the refinement: 0.841
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No