Information card for entry 7012704

Structure parameters

• Formula: C23 H22 Cl4 N O P Pd
• Calculated formula: C23 H22 Cl4 N O P Pd
• SMILES: [Pd]1([P](c2ccccc2)(c2ccccc2)CC2=[N]1[C@H](c1ccccc1)CO2)(Cl)Cl.ClCCl
• Title of publication: New phosphino-oxazoline and related phosphino-iminolate palladium complexes; structure of an unusual zwitterionic dinuclear Pd(ii) complex
• Authors of publication: Apfelbacher, Andreas; Braunstein, Pierre; Brissieux, Luc; Welter, Richard
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 9
• Pages of publication: 1669
• a: 8.541 ± 0.005 Å
• b: 13.825 ± 0.005 Å
• c: 20.676 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2441.4 ± 1.8 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: 0.0464
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 0.754
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No