Information card for entry 4076603

Structure parameters

• Formula: C11 H11 Cl N2 O6 Pd
• Calculated formula: C11 H11 Cl N2 O6 Pd
• Title of publication: Synthesis and Hydrolysis of Cationic Palladium(II) 2,6-Diacetylpyridine Dimethyl Ketal Complexes. Cyclopalladation of 2,6-Diacetylpyridine. Palladium-Catalyzed Synthesis of a 1,5-Benzodiazepine†
• Authors of publication: Juliá-Hernández, Francisco; Arcas, Aurelia; Bautista, Delia; Vicente, José
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 9
• Pages of publication: 3736
• a: 7.6698 ± 0.0004 Å
• b: 23.7216 ± 0.0012 Å
• c: 7.8644 ± 0.0004 Å
• α: 90°
• β: 104.965 ± 0.002°
• γ: 90°
• Cell volume: 1382.32 ± 0.12 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: 0.0234
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4078291
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No