Information card for entry 4125756

Structure parameters

• Common name: Pd-complex
• Chemical name: Pd-complex
• Formula: C26 H19 F3 N4 O3 Pd S
• Calculated formula: C26 H19 F3 N4 O3 Pd S
• SMILES: [Pd]12(N(S(=O)(=O)C(F)(F)F)c3ccccc3c3c1cccc3)[n]1ccccc1C(=O)c1[n]2cccc1.N#CC
• Title of publication: Reductive C(sp(2))-N Elimination from Isolated Pd(IV) Amido Aryl Complexes Prepared Using H2O2 as Oxidant.
• Authors of publication: Abada, Elikplim; Zavalij, Peter Y.; Vedernikov, Andrei N.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 2
• Pages of publication: 643 - 646
• a: 15.534 ± 0.002 Å
• b: 9.1331 ± 0.0013 Å
• c: 18.096 ± 0.003 Å
• α: 90°
• β: 100.943 ± 0.002°
• γ: 90°
• Cell volume: 2520.7 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0246
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections included in the refinement: 0.0472
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No