Information card for entry 4103333

Structure parameters

• Formula: C18 H16 F3 N O5 Pd
• Calculated formula: C18 H16 F3 N O5 Pd
• Title of publication: Oxidation of a Cyclometalated Pd(II) Dimer with "CF3+": Formation and Reactivity of a Catalytically Competent Monomeric Pd(IV) Aquo Complex
• Authors of publication: Yingda Ye; Nicholas D. Ball; Jeff W. Kampf; Melanie S. Sanford
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 14682 - 14687
• a: 10.1764 ± 0.0015 Å
• b: 13.225 ± 0.002 Å
• c: 13.805 ± 0.002 Å
• α: 89.684 ± 0.002°
• β: 80.014 ± 0.002°
• γ: 89.799 ± 0.002°
• Cell volume: 1829.7 ± 0.5 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 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: 0.046
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No