Information card for entry 4065696

Structure parameters

• Formula: C20 H23 Cl N2 O3 Pd
• Calculated formula: C20 H23 Cl N2 O3 Pd
• SMILES: [Pd]1(Cl)(C#[N]c2c(cccc2C)C)CC(=O)c2[n]1c(ccc2)C(OC)(C)OC
• Title of publication: Organometallic Complexes of Palladium(II) Derived from 2,6-Diacetylpyridine Dimethylketal
• Authors of publication: Vicente, José; Arcas, Aurelia; Juliá-Hernández, Francisco; Bautista, Delia; Jones, Peter G.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 14
• Pages of publication: 3066
• a: 8.9235 ± 0.0008 Å
• b: 13.3711 ± 0.0009 Å
• c: 17.1832 ± 0.0009 Å
• α: 90°
• β: 104.841 ± 0.002°
• γ: 90°
• Cell volume: 1981.9 ± 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: 0.0208
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.0527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No