Information card for entry 1564841

Structure parameters

• Formula: C30 H41 B N O P2 Rh
• Calculated formula: C30 H41 B N O P2 Rh
• SMILES: [RhH]123([P](c4ccccc4B3(c3[n]2cccc3)c2ccccc2[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)C#[O]
• 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: 12.2321 ± 0.0004 Å
• b: 14.4054 ± 0.0004 Å
• c: 16.5537 ± 0.0005 Å
• α: 90°
• β: 98.051 ± 0.001°
• γ: 90°
• Cell volume: 2888.15 ± 0.15 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0202
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for significantly intense reflections: 0.0451
• Weighted residual factors for all reflections included in the refinement: 0.0466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No