Information card for entry 1545280

Structure parameters

• Common name: PNPRh(C2F4)
• Chemical name: PNPRh(C2F4)
• Formula: C28 H40 F4 N P2 Rh
• Calculated formula: C28 H40 F4 N P2 Rh
• SMILES: [Rh]123([P](C(C)C)(C(C)C)c4c([N]2c2c([P]1(C(C)C)C(C)C)cc(cc2)C)ccc(C)c4)[C](F)(F)=[C]3(F)F
• Title of publication: Fluorocarbene, fluoroolefin, and fluorocarbyne complexes of Rh
• Authors of publication: Pell, Christopher J.; Zhu, Yanjun; Huacuja, Rafael; Herbert, David E.; Hughes, Russell P.; Ozerov, Oleg V.
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 4
• Pages of publication: 3178
• a: 22.851 ± 0.007 Å
• b: 9.929 ± 0.003 Å
• c: 16.292 ± 0.008 Å
• α: 90°
• β: 131.487 ± 0.002°
• γ: 90°
• Cell volume: 2769 ± 1.8 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No