Information card for entry 4084427

Structure parameters

• Common name: (POCOP)Rh(CHCH2)(OtBu)
• Formula: C32 H59 O3 P2 Rh
• Calculated formula: C32 H59 O3 P2 Rh
• Title of publication: Potential Carbon‒Fluorine Reductive Elimination from Pincer-Supported Rh(III) and Dominating Side Reactions: Theoretical and Experimental Examination
• Authors of publication: Timpa, Samuel D.; Zhou, Jia; Bhuvanesh, Nattamai; Ozerov, Oleg V.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 21
• Pages of publication: 6210
• a: 12.411 ± 0.007 Å
• b: 16.436 ± 0.009 Å
• c: 17.215 ± 0.01 Å
• α: 90°
• β: 95.306 ± 0.006°
• γ: 90°
• Cell volume: 3497 ± 3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 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: 0.0398
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections included in the refinement: 0.0532
• Goodness-of-fit parameter for all reflections included in the refinement: 0.897
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No