Information card for entry 4327662

Structure parameters

• Chemical name: Chloro[2-(diphenylphosphino)ethanethiolato-P,S]-triphenylphospinepalladium(II)
• Formula: C33 H31 Cl3 P2 Pd S
• Calculated formula: C33 H31 Cl3 P2 Pd S
• Title of publication: Palladium Phosphinothiolato Complexes. Syntheses and Crystal Structures of Mononuclear [PdCl(SC2H4PPh2)PPh3] and Binuclear [Pd2Cl2(μ-SC3H6PPh2)2] and Their Performance in Catalytic Carbonylation
• Authors of publication: Nuria Brugat; Alfonso Polo; Ángel Álvarez-Larena; J. Francesc Piniella; Julio Real
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 4829 - 4837
• a: 9.247 ± 0.003 Å
• b: 17.956 ± 0.009 Å
• c: 19.869 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3299 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections: 0.1023
• Weighted residual factors for significantly intense reflections: 0.0985
• Goodness-of-fit parameter for all reflections: 0.934
• Goodness-of-fit parameter for significantly intense reflections: 1.082
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No