Information card for entry 7714244

Structure parameters

• Formula: C64 H90 Cl2 P2 Rh2 Si4
• Calculated formula: C64 H90 Cl2 P2 Rh2 Si4
• Title of publication: Unexpected alkyl isomerization at the silicon ligand of an unsaturated Rh complex: combined experiment and theory
• Authors of publication: Abeynayake, Niroshani S.; Le, Nghia; Sanchez-Lecuona, Gabriela; Donnadieu, Bruno; Webster, Charles Edwin; Montiel-Palma, Virginia
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 19.691 ± 0.007 Å
• b: 15.587 ± 0.007 Å
• c: 20.196 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6199 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No