Information card for entry 4102119

Structure parameters

• Common name: TF04054
• Chemical name: (Benzo[h]quinolinato){(2-nitrophenyl-sulfonyl)[(2-(pyridine-2-yl)phenyl] amido}-difluoropalladium(IV) Acetonitrile Solvate
• Formula: C32 H23 F2 N5 O4 Pd S
• Calculated formula: C32 H23 F2 N5 O4 Pd S
• Title of publication: Mechanism of C-F Reductive Elimination from Palladium(IV) Fluorides
• Authors of publication: Takeru Furuya; Diego Benitez; Ekaterina Tkatchouk; Alexandra E. Strom; Pingping Tang; William A. Goddard; Tobias Ritter
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 3793 - 3807
• a: 10.0089 ± 0.0003 Å
• b: 13.3937 ± 0.0004 Å
• c: 21.0503 ± 0.0007 Å
• α: 90°
• β: 99.197 ± 0.003°
• γ: 90°
• Cell volume: 2785.65 ± 0.15 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0728
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No