Information card for entry 4069210

Structure parameters

• Common name: jonll52
• Formula: C25 H26 Cl3 F3 N Rh
• Calculated formula: C25 H26 Cl3 F3 N Rh
• SMILES: [Rh]12345(Cl)([N](=Cc6c1ccc(c6)C(F)(F)F)c1ccccc1)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C.C(Cl)Cl
• Title of publication: C−H Activation of Phenyl Imines and 2-Phenylpyridines with [Cp*MCl2]2(M = Ir, Rh): Regioselectivity, Kinetics, and Mechanism
• Authors of publication: Li, Ling; Brennessel, William W.; Jones, William D.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 12
• Pages of publication: 3492
• a: 7.6512 ± 0.001 Å
• b: 14.681 ± 0.002 Å
• c: 22.798 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2560.8 ± 0.6 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1544
• Weighted residual factors for all reflections included in the refinement: 0.1632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No