Information card for entry 4318235

Structure parameters

• Common name: Triphenylphosphine 4-nitrobenzoylhydrorhodium(III)hydrotris(3,5-dimethylpyrazolyl)borate
• Formula: C40 H42 B N7 O3 P Rh
• Calculated formula: C40 H42 B N7 O3 P Rh
• SMILES: [RhH]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)(C(=O)c3ccc(N(=O)=O)cc3)[n]3n(c(cc3C)C)[BH](n3[n]1c(C)cc3C)n1[n]2c(C)cc1C
• 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: 10.0073 ± 0.0011 Å
• b: 10.5116 ± 0.0012 Å
• c: 19.874 ± 0.002 Å
• α: 83.728 ± 0.002°
• β: 88.759 ± 0.002°
• γ: 65.756 ± 0.002°
• Cell volume: 1894.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No