Information card for entry 4337380

Structure parameters

• Formula: C19 H21 F3 N4 O3 Pd S
• Calculated formula: C19 H21 F3 N4 O3 Pd S
• SMILES: [Pd]1([n]2ccccc2c2[n]1cccc2)([n]1ccc(N(C)C)cc1)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: 30.97 ± 0.006 Å
• b: 7.18 ± 0.0014 Å
• c: 19.112 ± 0.004 Å
• α: 90°
• β: 91.77 ± 0.03°
• γ: 90°
• Cell volume: 4247.8 ± 1.5 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: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No