Information card for entry 4073602

Structure parameters

• Formula: C34 H30 F6 N4 O10 Pd2 S2
• Calculated formula: C34 H30 F6 N4 O10 Pd2 S2
• SMILES: [Pd]12([O]=C(C)O[Pd]3([O]=C(O1)C)[n]1c(ccc4c1c1[n]3c(ccc1cc4)C)C)[n]1c(ccc3c1c1[n]2c(ccc1cc3)C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• 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: 25.707 ± 0.003 Å
• b: 12.2251 ± 0.0012 Å
• c: 24.111 ± 0.002 Å
• α: 90°
• β: 103.182 ± 0.001°
• γ: 90°
• Cell volume: 7377.7 ± 1.3 ų
• Cell temperature: 138 K
• Ambient diffraction temperature: 138 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No