Information card for entry 4108166

Structure parameters

• Formula: C40 H64 F6 O8 P4 Pd2 S2
• Calculated formula: C40 H64 F6 O8 P4 Pd2 S2
• Title of publication: Pd(I) Phosphine Carbonyl and Hydride Complexes Implicated in the Palladium-Catalyzed Oxo Process
• Authors of publication: Miguel Baya; Jennifer Houghton; Denes Konya; Yohan Champouret; Jean-Claude Daran; Karina Q. Almeida Leñero; Lodewijk Schoon; Wilhelmus P. Mul; A. Bart van Oort; Nicolaas Meijboom; Eite Drent; A. Guy Orpen; Rinaldo Poli
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 10612 - 10624
• a: 17.3241 ± 0.0006 Å
• b: 13.0746 ± 0.0006 Å
• c: 21.2901 ± 0.0008 Å
• α: 90°
• β: 100.834 ± 0.003°
• γ: 90°
• Cell volume: 4736.4 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No