Information card for entry 2205379

Structure parameters

• Chemical name: Acetato[1-(oxazolin-2-ylmethyl-κN)indol-2-yl](triphenylphosphine)palladium(II) dichloromethane solvate
• Formula: C33 H31 Cl2 N2 O3 P Pd
• Calculated formula: C33 H31 Cl2 N2 O3 P Pd
• SMILES: [Pd]1(c2cc3ccccc3n2CC2OCC[N]1=2)(OC(=O)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl
• Title of publication: Acetato[1-(oxazolin-2-ylmethyl-κ<i>N</i>)-1<i>H</i>-indolyl-κ<i>C</i>^2^](triphenylphosphine)palladium(II) dichloromethane solvate
• Authors of publication: Cowley, Andrew R.; Cooper, Richard I.; Capito, Elena; Brown, John M; Ricci, Alfredo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: m582 - m584
• a: 10.3125 ± 0.0002 Å
• b: 10.9019 ± 0.0002 Å
• c: 16.4409 ± 0.0005 Å
• α: 71.7446 ± 0.0009°
• β: 75.0748 ± 0.0009°
• γ: 62.033 ± 0.001°
• Cell volume: 1536.81 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for all reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.0396
• Weighted residual factors for all reflections included in the refinement: 0.0396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No