Information card for entry 4073604

Structure parameters

• Common name: 07064
• Formula: C17 H12 F3 N3 O5 Pd S
• Calculated formula: C17 H12 F3 N3 O5 Pd S
• Title of publication: Aerobic Alcohol Oxidation with Cationic Palladium Complexes: Insights into Catalyst Design and Decomposition
• Authors of publication: Conley, Nicholas R.; Labios, Liezel A.; Pearson, David M.; McCrory, Charles C. L.; Waymouth, Robert M.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 23
• Pages of publication: 5447
• a: 11.157 ± 0.0011 Å
• b: 13.8378 ± 0.0014 Å
• c: 18.9319 ± 0.0018 Å
• α: 100.908 ± 0.002°
• β: 106.926 ± 0.002°
• γ: 95.415 ± 0.002°
• Cell volume: 2710.8 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0472
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No