Information card for entry 7005129

Structure parameters

• Formula: C21 H25 Cl N O3 P Pd
• Calculated formula: C21 H25 Cl N O3 P Pd
• SMILES: [Pd]1(Cl)([P]2(OC(C3OCC([N]1=3)(C)C)(C)C)Oc1ccccc1c1ccccc21)C
• 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: 12.415 ± 0.0003 Å
• b: 10.876 ± 0.0002 Å
• c: 15.581 ± 0.0004 Å
• α: 90°
• β: 96.334 ± 0.0009°
• γ: 90°
• Cell volume: 2090.99 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0599
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No