Information card for entry 4075054

Structure parameters

• Formula: C24 H27 Cl N O3 P Pd
• Calculated formula: C24 H27 Cl N O3 P Pd
• SMILES: [Pd]1(Cl)([P](c2ccccc2)(CCc2[n]1cccc2)c1ccccc1)C(=O)OCC(O)CC
• Title of publication: Interaction of PdCl2-2-(β-diphenylphosphine)ethylpyridine Complex with Diols and CO: Synthesis of New Alkoxycarbonyl Complexes, Key Intermediates to Cyclic Carbonates
• Authors of publication: Giannoccaro, Potenzo; Cornacchia, Daniele; Doronzo, Salvatore; Mesto, Ernesto; Quaranta, Eugenio; Aresta, Michele
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 11
• Pages of publication: 2872
• a: 11.055 ± 0.001 Å
• b: 12.486 ± 0.001 Å
• c: 19.647 ± 0.001 Å
• α: 103.27 ± 0.01°
• β: 97.06 ± 0.01°
• γ: 89.98 ± 0.01°
• Cell volume: 2618.4 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1586
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections: 0.0938
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0835
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No