Information card for entry 4063926

Structure parameters

• Formula: C20 H15 F9 N4 O6 Pd S2
• Calculated formula: C20 H15 F9 N4 O6 Pd S2
• Title of publication: Oxidatively Resistant Ligands for Palladium-Catalyzed Aerobic Alcohol Oxidation
• Authors of publication: Pearson, David M.; Conley, Nicholas R.; Waymouth, Robert M.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 6
• Pages of publication: 1445
• a: 8.7061 ± 0.0009 Å
• b: 12.799 ± 0.0012 Å
• c: 13.5092 ± 0.0013 Å
• α: 107.23 ± 0.002°
• β: 100.385 ± 0.002°
• γ: 102.965 ± 0.002°
• Cell volume: 1351 ± 0.2 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No