Information card for entry 4069209

Structure parameters

• Common name: jonll46
• Formula: C26 H29 Cl3 N O2 Rh
• Calculated formula: C26 H29 Cl3 N O2 Rh
• SMILES: [Rh]12345(Cl)([N](=Cc6c1ccc(c6)C(=O)OC)c1ccccc1)[c]1([c]2([c]3([c]4([c]51C)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: 7.938 ± 0.0009 Å
• b: 9.5622 ± 0.0011 Å
• c: 17.847 ± 0.002 Å
• α: 100.537 ± 0.002°
• β: 94.229 ± 0.002°
• γ: 103.697 ± 0.002°
• Cell volume: 1284.2 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No