Information card for entry 4313107

Structure parameters

• Chemical name: Tetra-μ3-thio-tris[(methylcyclopentadienyl)tungsten]- (triphenylphosphine)palladium p-toluenesulfonate
• Formula: C43 H43 O3 P Pd S5 W3
• Calculated formula: C43 H43 O3 P Pd S5 W3
• Title of publication: A Complete Family of Isostructural Cluster Compounds with Cubane-like M3S4M' Cores (M = Mo, W; M' = Ni, Pd, Pt): Comparative Crystallography and Electrochemistry
• Authors of publication: Konrad Herbst; Piero Zanello; Maddalena Corsini; Nicola D'Amelio; Lutz Dahlenburg; Michael Brorson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 974 - 981
• a: 11.229 ± 0.001 Å
• b: 24.098 ± 0.003 Å
• c: 16.457 ± 0.005 Å
• α: 90°
• β: 95.7 ± 0.01°
• γ: 90°
• Cell volume: 4431.2 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1029
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No