Information card for entry 4084267

Structure parameters

• Formula: C20 H23 N2 Rh
• Calculated formula: C20 H23 N2 Rh
• SMILES: [Rh]12345([n]6c(c7[n]1cccc7)cccc6)[c]1([c]3([c]2([c]4([c]51C)C)C)C)C
• Title of publication: Catalytic C‒F Bond Hydrogenolysis of Fluoroaromatics by [(η5-C5Me5)RhI(2,2′-bipyridine)]
• Authors of publication: Nakai, Hidetaka; Jeong, Kihun; Matsumoto, Takahiro; Ogo, Seiji
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 17
• Pages of publication: 4349
• a: 9.1635 ± 0.0017 Å
• b: 9.2498 ± 0.0016 Å
• c: 20.21 ± 0.004 Å
• α: 90°
• β: 98.64 ± 0.003°
• γ: 90°
• Cell volume: 1693.6 ± 0.5 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No