Information card for entry 7107144

Structure parameters

• Common name: PNPRh(C6H4F)(H)
• Formula: C32 H45 F N P2 Rh
• Calculated formula: C32 H45 F N P2 Rh
• Title of publication: C-H and C-O oxidative addition in reactions of aryl carboxylates with a PNP pincer-ligated Rh(I) fragment
• Authors of publication: Yanjun Zhu; Dan A. Smith; David E. Herbert; Sylvain Gatard; Oleg V. Ozerov
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 218
• a: 15.308 ± 0.014 Å
• b: 10.032 ± 0.009 Å
• c: 19.376 ± 0.018 Å
• α: 90°
• β: 94.901 ± 0.012°
• γ: 90°
• Cell volume: 2965 ± 5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• 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: 0.0884
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No