Information card for entry 4069564

Structure parameters

• Formula: C103.5 H147 N2 Sc Si2
• Calculated formula: C103.5 H147 N2 Sc Si2
• Title of publication: Metalation-Resistant β-Diketiminato Ligands for Thermally Robust Organoscandium Complexes
• Authors of publication: Kenward, Alyson L.; Ross, Jennifer A.; Piers, Warren E.; Parvez, Masood
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 13
• Pages of publication: 3625
• a: 18.315 ± 0.003 Å
• b: 15.578 ± 0.002 Å
• c: 37.294 ± 0.005 Å
• α: 90°
• β: 98.975 ± 0.008°
• γ: 90°
• Cell volume: 10510 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.1784
• Residual factor for significantly intense reflections: 0.0995
• Weighted residual factors for significantly intense reflections: 0.2617
• Weighted residual factors for all reflections included in the refinement: 0.321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No