Information card for entry 4519328

Structure parameters

• Formula: C30 H50 N3 O3 Sc Si2
• Calculated formula: C29.974 H49.948 N3 O3 Sc Si2
• Title of publication: d0 Metal-Catalyzed Alkyl–Alkyl Cross-Coupling Enabled by a Redox-Active Ligand
• Authors of publication: Belli, Roman G.; Tafuri, Victoria C.; Joannou, Matthew V.; Roberts, Courtney C.
• Journal of publication: ACS Catalysis
• Year of publication: 2022
• Pages of publication: 3094 - 3099
• a: 9.295 ± 0.006 Å
• b: 9.951 ± 0.006 Å
• c: 18.689 ± 0.011 Å
• α: 96.21 ± 0.02°
• β: 96.947 ± 0.019°
• γ: 109.414 ± 0.017°
• Cell volume: 1597.9 ± 1.7 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No