Information card for entry 4318233

Structure parameters

• Common name: Bis(triphenylphosphine)rhodium(I)hydrotris(3,5-dimethylpyrazolyl)borate
• Formula: C53 H58 B N6 O P2 Rh
• Calculated formula: C53 H58 B N6 O P2 Rh
• Title of publication: Reaction of Bis(phosphine)(hydrotris(3,5-dimethylpyrazolyl)borato)rhodium(I) with Phenylacetylene, p-Nitrobenzaldehyde, and Triphenyltin Hydride: Structures of [Rh(Tp*)(PPh3)2], [Rh(Tp*)(H)(C2Ph){P(4-C6H4F)3}], [Rh(Tp*)(H)(COC6H4-4-NO2)(PPh3)], and [Rh(Tp*)(H)(SnPh3)(PPh3)]
• Authors of publication: Viorel Cîrcu; Manuel A. Fernandes; Laurence Carlton
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3859 - 3865
• a: 11.9664 ± 0.0019 Å
• b: 21.355 ± 0.003 Å
• c: 20.685 ± 0.003 Å
• α: 90°
• β: 112.576 ± 0.007°
• γ: 90°
• Cell volume: 4880.8 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.088
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No