Information card for entry 7005133

Structure parameters

• Formula: C19 H22 Cl4 N O2 P Pd
• Calculated formula: C19 H22 Cl4 N O2 P Pd
• SMILES: [Pd]1(Cl)(Cl)[P](OCC2OCC([N]1=2)(C)C)(c1ccccc1)c1ccccc1.ClCCl
• Title of publication: Phosphinito- and phosphonito-oxazoline Pd(II) complexes as CO/ethylene insertion intermediates: synthesis and structural characterization.
• Authors of publication: Agostinho, Magno; Braunstein, Pierre; Welter, Richard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 7
• Pages of publication: 759 - 770
• a: 29.656 ± 0.0001 Å
• b: 8.965 ± 0.0001 Å
• c: 8.687 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2309.58 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No