Information card for entry 4318234

Structure parameters

• Common name: Tris(4-fluorophenyl)phosphinephenylacetylidohydrorhodium(III)hydro tris(3,5-dimethylpyrazolyl)borate
• Formula: C42 H42 B Cl2 F3 N6 P Rh
• Calculated formula: C42 H42 B Cl2 F3 N6 P Rh
• SMILES: [n]12[RhH]3([P](c4ccc(F)cc4)(c4ccc(F)cc4)c4ccc(F)cc4)([n]4n(c(cc4C)C)[BH](n1c(cc2C)C)n1[n]3c(C)cc1C)C#Cc1ccccc1.ClCCl
• 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: 10.13 ± 0.003 Å
• b: 12.869 ± 0.004 Å
• c: 17.038 ± 0.005 Å
• α: 78.641 ± 0.006°
• β: 76.04 ± 0.005°
• γ: 81.21 ± 0.006°
• Cell volume: 2100.3 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No