Information card for entry 4074268

Structure parameters

• Formula: C29 H33 B O2 P Rh
• Calculated formula: C29 H33 B O2 P Rh
• SMILES: B1(OC(C(C)(C)O1)(C)C)[RhH]1234([cH]5[cH]1[cH]2[cH]3[cH]45)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 10.7735 ± 0.0007 Å
• b: 10.9101 ± 0.0007 Å
• c: 11.7832 ± 0.0007 Å
• α: 77.068 ± 0.001°
• β: 77.854 ± 0.001°
• γ: 77.895 ± 0.001°
• Cell volume: 1300.29 ± 0.14 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0243
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No