Information card for entry 1516350

Structure parameters

• Chemical name: (4,4'diethynyldiphenyl)bis[(kS-thioacetate)bis(tributylphosphine)palladium(II)]
• Formula: C66 H104 O2 P4 Pd2 S2
• Calculated formula: C66 H104 O2 P4 Pd2 S2
• 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: 9.847 ± 0.006 Å
• b: 13.52 ± 0.01 Å
• c: 15.56 ± 0.03 Å
• α: 94.1 ± 0.2°
• β: 106.5 ± 0.1°
• γ: 96.2 ± 0.1°
• Cell volume: 1963 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3054
• Residual factor for significantly intense reflections: 0.0905
• Weighted residual factors for significantly intense reflections: 0.212
• Weighted residual factors for all reflections included in the refinement: 0.3086
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No