Information card for entry 2018726

Structure parameters

• Chemical name: Dichlorido{2-[(2,6-diethylphenyl)iminomethyl]quinoline- κ^2^<i>N</i>,<i>N</i>'}palladium(II) acetonitrile monosolvate
• Formula: C22 H23 Cl2 N3 Pd
• Calculated formula: C22 H23 Cl2 N3 Pd
• SMILES: c1cccc2c1ccc1C=[N]([Pd](Cl)(Cl)[n]21)c1c(cccc1CC)CC.C(#N)C
• Title of publication: Dichlorido{2-[(2,6-diethylphenyl)iminomethyl]quinoline-κ^2^<i>N</i>,<i>N</i>'}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: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: m356 - m358
• a: 7.8874 ± 0.0003 Å
• b: 19.3046 ± 0.0008 Å
• c: 14.2966 ± 0.0007 Å
• α: 90°
• β: 102.164 ± 0.004°
• γ: 90°
• Cell volume: 2127.97 ± 0.16 ų
• Cell temperature: 99.97 ± 0.12 K
• Ambient diffraction temperature: 99.97 ± 0.12 K
• Number of distinct elements: 5
• 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: 0.036
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes