Information card for entry 1564839

Structure parameters

• Chemical name: (PBP)RhPyBr
• Formula: C29 H40 B Br N P2 Rh
• Calculated formula: C29 H40 B Br N P2 Rh
• Title of publication: Cooperative C-H Activation of Pyridine by PBP Complexes of Rh and Ir Can Lead to Bridging 2-Pyridyls with Different Connectivity to the B-M Unit
• Authors of publication: Cao, Yihan; Shih, Wei-Chun; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 11.2163 ± 0.0011 Å
• b: 11.2163 ± 0.0011 Å
• c: 22.862 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2876.2 ± 0.5 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 7
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0287
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0464
• Weighted residual factors for all reflections included in the refinement: 0.0478
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No