Information card for entry 4327663

Structure parameters

• Chemical name: Dichlorobis{μ-[3-(diphenylphosphino)propanethiolato]-P,μ-S}-dipalladium(II)
• Formula: C31 H34 Cl4 P2 Pd2 S2
• Calculated formula: C31 H34 Cl4 P2 Pd2 S2
• 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: 12.701 ± 0.003 Å
• b: 12.04 ± 0.004 Å
• c: 22.495 ± 0.002 Å
• α: 90°
• β: 97.36 ± 0.01°
• γ: 90°
• Cell volume: 3411.6 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No