Information card for entry 2018836

Structure parameters

• Chemical name: Dichlorido{<i>N</i>-[2-(diphenylphosphanyl)benzylidene]-2-methylaniline}palladium(II) acetonitrile monosolvate
• Formula: C28 H25 Cl2 N2 P Pd
• Calculated formula: C28 H25 Cl2 N2 P Pd
• SMILES: [Pd]1(Cl)(Cl)[P](c2c(C=[N]1c1ccccc1C)cccc2)(c1ccccc1)c1ccccc1.N#CC
• Title of publication: Dichlorido{<i>N</i>-[2-(diphenylphosphanyl)benzylidene]-2-methylaniline}palladium(II) acetonitrile monosolvate
• Authors of publication: Motswainyana, William M.; Onani, Martin O.; Jacobs, Jeroen; Van Meervelt, Luc
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: 209 - 211
• a: 32.35 ± 0.003 Å
• b: 9.9963 ± 0.0003 Å
• c: 20.8851 ± 0.0016 Å
• α: 90°
• β: 128.423 ± 0.013°
• γ: 90°
• Cell volume: 5291.2 ± 1.2 ų
• Cell temperature: 99.9 ± 0.3 K
• Ambient diffraction temperature: 99.9 ± 0.3 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes