Information card for entry 4130197

Structure parameters

• Formula: C50 H12 F20 N4 O10 Pd2
• Calculated formula: C50 H12 F20 N4 O10 Pd2
• SMILES: [Pd]12([Pd](OC(=O)c3c(F)c(F)c(F)c(F)c3F)(OC(=O)c3c(F)c(F)c(F)c(F)c3F)([n]3cccc4C(=O)c5ccc[n]1c5c34)[n]1cccc3C(=O)c4ccc[n]2c4c13)(OC(=O)c1c(F)c(F)c(F)c(F)c1F)OC(=O)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Structurally Diverse Diazafluorene-Ligated Palladium(II) Complexes and Their Implications for Aerobic Oxidation Reactions.
• Authors of publication: White, Paul B.; Jaworski, Jonathan N.; Fry, Charles G.; Dolinar, Brian S.; Guzei, Ilia A.; Stahl, Shannon S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 14
• Pages of publication: 4869 - 4880
• a: 24.5357 ± 0.001 Å
• b: 8.7047 ± 0.0004 Å
• c: 26.4314 ± 0.001 Å
• α: 90°
• β: 122.616 ± 0.002°
• γ: 90°
• Cell volume: 4754.9 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No