Information card for entry 4103527

Structure parameters

• Common name: jonme12
• Formula: C20 H30 N O0.5 P Rh
• Calculated formula: C20 H30 N O0.5 P Rh
• Title of publication: C-H vs C-C Bond Activation of Acetonitrile and Benzonitrile via Oxidative Addition: Rhodium vs Nickel and Cp* vs Tp' (Tp' = Hydrotris(3,5-dimethylpyrazol-1-yl)borate, Cp* = η5-Pentamethylcyclopentadienyl)
• Authors of publication: Meagan E. Evans; Ting Li; William D. Jones
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 16278 - 16284
• a: 8.1053 ± 0.0013 Å
• b: 8.7271 ± 0.0013 Å
• c: 15.88 ± 0.002 Å
• α: 89.287 ± 0.003°
• β: 76.682 ± 0.003°
• γ: 67.204 ± 0.003°
• Cell volume: 1004 ± 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: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No