Information card for entry 4517809

Structure parameters

• Chemical name: Rh(Xantphos)(CH2Ph)
• Formula: C51.1 H44.1 O P2 Rh
• Calculated formula: C51.1 H44.1 O P2 Rh
• Title of publication: Amine‒Borane Dehydropolymerization Using Rh-Based Precatalysts: Resting State, Chain Control, and Efficient Polymer Synthesis
• Authors of publication: Ryan, David E.; Andrea, Kori A.; Race, James J.; Boyd, Timothy M.; Lloyd-Jones, Guy C.; Weller, Andrew S.
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Pages of publication: 7443 - 7448
• a: 16.1346 ± 0.0011 Å
• b: 10.4118 ± 0.0003 Å
• c: 24.8442 ± 0.0014 Å
• α: 90°
• β: 98.216 ± 0.006°
• γ: 90°
• Cell volume: 4130.7 ± 0.4 ų
• Cell temperature: 149.99 ± 0.16 K
• Ambient diffraction temperature: 149.99 ± 0.16 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: 0.1372
• Residual factor for significantly intense reflections: 0.0994
• Weighted residual factors for significantly intense reflections: 0.2612
• Weighted residual factors for all reflections included in the refinement: 0.306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No