Information card for entry 4074266

Structure parameters

• Formula: C25 H24 P Rh
• Calculated formula: C25 H24 P Rh
• SMILES: c1ccc([P]([Rh]23456([CH2]=[CH2]3)[cH]3[cH]5[cH]2[cH]4[cH]63)(c2ccccc2)c2ccccc2)cc1
• Title of publication: Comparisons of Photoinduced Oxidative Addition of B−H, B−B, and Si−H Bonds at Rhodium(η5-cyclopentadienyl)phosphine Centers
• Authors of publication: Câmpian, Marius V.; Harris, Jeremy L.; Jasim, Naser; Perutz, Robin N.; Marder, Todd B.; Whitwood, Adrian C.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 21
• Pages of publication: 5093
• a: 19.679 ± 0.0018 Å
• b: 9.672 ± 0.0009 Å
• c: 21.451 ± 0.002 Å
• α: 90°
• β: 95.435 ± 0.002°
• γ: 90°
• Cell volume: 4064.5 ± 0.7 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 4
• 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: 0.0786
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No