Information card for entry 4337376

Structure parameters

• Formula: C22 H20 F6 N4 O6 Pd S2
• Calculated formula: C22 H20 F6 N4 O6 Pd S2
• SMILES: [Pd]([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Reactions of [PhI(pyridine)2](2+) with Model Pd and Pt II/IV Redox Couples.
• Authors of publication: Corbo, Robert; Georgiou, Dayne C.; Wilson, David J. D.; Dutton, Jason L.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 1690 - 1698
• a: 17.359 ± 0.004 Å
• b: 11.059 ± 0.002 Å
• c: 15.135 ± 0.003 Å
• α: 90°
• β: 90.08 ± 0.03°
• γ: 90°
• Cell volume: 2905.5 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No