Information card for entry 4073603

Structure parameters

• Common name: 07041I
• Formula: C30 H26 F6 N4 O8 Pd2 S2
• Calculated formula: C30 H26 F6 N4 O8 Pd2 S2
• SMILES: Cc1ccc2c3[n]1[Pd]1([n]4c3c(cc2)ccc4C)[OH][Pd]2([n]3c4c5c(ccc(C)[n]25)ccc4ccc3C)[OH]1.O=S(=O)([O-])C(F)(F)F.FC(F)(F)S(=O)(=O)[O-]
• 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: 18.364 ± 0.014 Å
• b: 8.892 ± 0.007 Å
• c: 22.191 ± 0.016 Å
• α: 90°
• β: 115.099 ± 0.008°
• γ: 90°
• Cell volume: 3281 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No