Information card for entry 4074269

Structure parameters

• Formula: C70 H68 B O2 P3 Rh2
• Calculated formula: C70 H68 B O2 P3 Rh2
• SMILES: CC1(OB([RhH]2345([P](c6ccccc6)(c6ccccc6)c6ccccc6)[cH]6[cH]2[cH]4[cH]5[cH]36)OC1(C)C)C.[Rh]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)[cH]5[cH]2[cH]4[cH]3[cH]15
• 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: 12.001 ± 0.0007 Å
• b: 14.0158 ± 0.0008 Å
• c: 18.2082 ± 0.0011 Å
• α: 72.634 ± 0.001°
• β: 85.868 ± 0.001°
• γ: 89.726 ± 0.001°
• Cell volume: 2915 ± 0.3 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 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: 0.0687
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No