Information card for entry 7101620

Structure parameters

• Formula: C19 H23 Cl N O P Pd
• Calculated formula: C19 H23 Cl N O P Pd
• SMILES: [Pd]1(Cl)([P](CC2OCC([N]1=2)(C)C)(c1ccccc1)c1ccccc1)C
• Title of publication: Structurally characterized intermediates in the stepwise insertion of CO-ethylene or CO-methyl acrylate into the metal-carbon bond of Pd(II) complexes stabilized by (phosphinomethyl)oxazoline ligands.
• Authors of publication: Agostinho, Magno; Braunstein, Pierre
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 1
• Pages of publication: 58 - 60
• a: 7.731 ± 0.001 Å
• b: 11.711 ± 0.002 Å
• c: 21.589 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1954.6 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 0.863
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No