Information card for entry 7012706

Structure parameters

• Formula: C23 H23 Cl N O P Pd
• Calculated formula: C23 H23 Cl N O P Pd
• SMILES: [Pd]1([P](CC2OC[C@H]([N]1=2)c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)C
• 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: 10.998 ± 0.005 Å
• b: 8.647 ± 0.005 Å
• c: 12.017 ± 0.005 Å
• α: 90°
• β: 107.69 ± 0.005°
• γ: 90°
• Cell volume: 1088.8 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 0.807
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No