Information card for entry 4337379

Structure parameters

• Formula: C17 H16 F3 N3 O3 Pd S
• Calculated formula: C17 H16 F3 N3 O3 Pd S
• SMILES: [Pd]1([n]2ccccc2c2[n]1cccc2)([n]1ccccc1)C.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: 8.2453 ± 0.0016 Å
• b: 17.384 ± 0.004 Å
• c: 13.412 ± 0.003 Å
• α: 90°
• β: 103.46 ± 0.03°
• γ: 90°
• Cell volume: 1869.6 ± 0.7 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1602
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.212
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No