Information card for entry 1573278

Structure parameters

• Formula: C18 H47 O3 Sc Si3
• Calculated formula: C18 H47 O3 Sc Si3
• SMILES: [Sc]12([O](CC[O]1CC[O]2C)C)(C[Si](C)(C)C)(C[Si](C)(C)C)C[Si](C)(C)C
• Title of publication: Stabilization of reactive rare earth alkyl complexes through mechanistic studies.
• Authors of publication: Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L.
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 16
• Journal issue: 1
• Pages of publication: 280 - 287
• a: 9.4868 ± 0.0001 Å
• b: 15.7772 ± 0.0001 Å
• c: 18.6972 ± 0.0001 Å
• α: 90°
• β: 101.956 ± 0.001°
• γ: 90°
• Cell volume: 2737.8 ± 0.04 ų
• Cell temperature: 99.98 ± 0.1 K
• Ambient diffraction temperature: 99.98 ± 0.1 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: 0.0315
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No