Information card for entry 1573280

Structure parameters

• Formula: C18 H49 P2 Sc Si3
• Calculated formula: C18 H49 P2 Sc Si3
• SMILES: [Sc]1(C[Si](C)(C)C)([P](C)(CC[P]1(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: 16.9327 ± 0.0002 Å
• b: 9.5169 ± 0.0001 Å
• c: 18.2023 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2933.24 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No