Information card for entry 7112766

Structure parameters

• Formula: C11 H14 Br3 N O3 Pd
• Calculated formula: C11 H14 Br3 N O3 Pd
• Title of publication: Quantitative synthesis and full characterization of the first isolated and stable pincer palladium(IV) complexes. Quantitative and regioselective synthesis of the C-X (X = Cl, Br) reductive elimination products.
• Authors of publication: Vicente, José; Arcas, Aurelia; Juliá-Hernández, Francisco; Bautista, Delia
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 38
• Pages of publication: 7253 - 7255
• a: 8.8728 ± 0.0008 Å
• b: 13.3587 ± 0.0012 Å
• c: 13.1184 ± 0.0012 Å
• α: 90°
• β: 99.193 ± 0.002°
• γ: 90°
• Cell volume: 1534.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0184
• Residual factor for significantly intense reflections: 0.0164
• Weighted residual factors for significantly intense reflections: 0.0396
• Weighted residual factors for all reflections included in the refinement: 0.0402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No