Information card for entry 4318236

Structure parameters

• Common name: Triphenylphosphinetriphenylstannylhydrorhodium(III)hydro tris(3,5-dimethylpyrazolyl)borate
• Formula: C52 H55 B Cl2 N6 P Rh Sn
• Calculated formula: C52 H55 B Cl2 N6 P Rh Sn
• SMILES: [Sn]([RhH]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)[n]3n(c(cc3C)C)[BH](n3[n]1c(cc3C)C)n1[n]2c(cc1C)C)(c1ccccc1)(c1ccccc1)c1ccccc1.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: 15.545 ± 0.002 Å
• b: 18.11 ± 0.002 Å
• c: 17.81 ± 0.002 Å
• α: 90°
• β: 95.094 ± 0.003°
• γ: 90°
• Cell volume: 4994.1 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.0364
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No