Information card for entry 1545281

Structure parameters

• Common name: none(PNP)Rh=CF2
• Chemical name: (PNP)Rh=CF2
• Formula: C27 H40 F2 N P2 Rh
• Calculated formula: C27 H40 F2 N P2 Rh
• SMILES: [Rh]12(=C(F)F)[P](c3cc(ccc3N1c1ccc(cc1[P]2(C(C)C)C(C)C)C)C)(C(C)C)C(C)C
• 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: 16.693 ± 0.006 Å
• b: 16.565 ± 0.006 Å
• c: 9.888 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2734.2 ± 1.8 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0828
• 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