Information card for entry 1516351

Structure parameters

• Chemical name: trans-Palladium(II)-bis(tributylphosphine)-bis(kS-thioacetate)
• Formula: C28 H60 O2 P2 Pd S2
• Calculated formula: C28 H60 O2 P2 Pd S2
• SMILES: [Pd]([P](CCCC)(CCCC)CCCC)(SC(=O)C)(SC(=O)C)[P](CCCC)(CCCC)CCCC
• Title of publication: Self-assembled monolayers based on Pd-containing organometallic thiols: preparation and structural characterization.
• Authors of publication: Vitaliano, Rosa; Fratoddi, Ilaria; Venditti, Iole; Roviello, Giuseppina; Battocchio, Chiara; Polzonetti, Giovanni; Russo, Maria Vittoria
• Journal of publication: The journal of physical chemistry. A
• Year of publication: 2009
• Journal volume: 113
• Journal issue: 52
• Pages of publication: 14730 - 14740
• a: 8.538 ± 0.005 Å
• b: 10.605 ± 0.004 Å
• c: 11.064 ± 0.006 Å
• α: 67.828 ± 0.001°
• β: 81.864 ± 0.005°
• γ: 85.056 ± 0.001°
• Cell volume: 917.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0841
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1536
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No