Information card for entry 4065697

Structure parameters

• Formula: C20 H23 Cl N2 O3 Pd
• Calculated formula: C20 H23 Cl N2 O3 Pd
• SMILES: [Pd]12([O](C(c3[n]1c(C(=O)C=C2Nc1c(cccc1C)C)ccc3)(OC)C)C)Cl
• 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: 9.5126 ± 0.0008 Å
• b: 9.9473 ± 0.0008 Å
• c: 11.0615 ± 0.0008 Å
• α: 66.547 ± 0.002°
• β: 85.846 ± 0.002°
• γ: 84.091 ± 0.002°
• Cell volume: 954.55 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0221
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections included in the refinement: 0.0538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No