Information card for entry 4129904

Structure parameters

• Formula: C24 H37 B Cl P2 Rh
• Calculated formula: C24 H37 B Cl P2 Rh
• SMILES: [Rh]123([H][B]1(c1ccccc1[P]2(C(C)C)C(C)C)c1ccccc1[P]3(C(C)C)C(C)C)Cl
• Title of publication: Facile Insertion of Rh and Ir into a Boron-Phenyl Bond, Leading to Boryl/Bis(phosphine) PBP Pincer Complexes.
• Authors of publication: Shih, Wei-Chun; Gu, Weixing; MacInnis, Morgan C.; Timpa, Samuel D.; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 7
• Pages of publication: 2086 - 2089
• a: 15.578 ± 0.011 Å
• b: 22.693 ± 0.015 Å
• c: 15.102 ± 0.01 Å
• α: 90°
• β: 102.626 ± 0.008°
• γ: 90°
• Cell volume: 5210 ± 6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No