Information card for entry 4034092

Structure parameters

• Common name: Cp*RhCl(4-CNPhPy)
• Formula: C25 H25 Cl N2 Rh
• Calculated formula: C25 H25 Cl N2 Rh
• Title of publication: Reversible Concerted Metalation-Deprotonation C-H Bond Activation by [Cp*RhCl₂]₂.
• Authors of publication: VanderWeide, Andrew I.; Brennessel, William W.; Jones, William D.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 20
• Pages of publication: 12960 - 12965
• a: 7.9195 ± 0.0001 Å
• b: 12.0428 ± 0.0001 Å
• c: 12.3369 ± 0.0001 Å
• α: 92.107 ± 0.001°
• β: 106.389 ± 0.001°
• γ: 103.329 ± 0.001°
• Cell volume: 1091.84 ± 0.02 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No