Information card for entry 1516349

Structure parameters

• Chemical name: (4,4'diethynyldiphenyl)bis[chlorobis(tributylphosphine)palladium(II)]
• Formula: C64 H76 Cl2 P4 Pd2
• Calculated formula: C64 H76 Cl2 P4 Pd2
• 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: 26.721 Å
• b: 12.755 Å
• c: 21.264 Å
• α: 90°
• β: 101.51°
• γ: 90°
• Cell volume: 7101.59 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1939
• Residual factor for significantly intense reflections: 0.0869
• Weighted residual factors for significantly intense reflections: 0.2263
• Weighted residual factors for all reflections included in the refinement: 0.2993
• Goodness-of-fit parameter for all reflections included in the refinement: 0.895
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No