Information card for entry 2209841

Structure parameters

• Chemical name: Dichloro{(E)-2,4,6-trimethyl-N-[1-(2-pyridyl)ethylidene]aniline- κ^2^N,N'}palladium(II) acetonitrile solvate
• Formula: C18 H21 Cl2 N3 Pd
• Calculated formula: C18 H21 Cl2 N3 Pd
• SMILES: [Pd]1([n]2c(C(=[N]1c1c(cc(cc1C)C)C)C)cccc2)(Cl)Cl.N#CC
• Title of publication: Dichloro{(<i>E</i>)-2,4,6-trimethyl-<i>N</i>-[1-(2-pyridyl)ethylidene]aniline-κ^2^<i>N</i>,<i>N</i>'}palladium(II) acetonitrile solvate
• Authors of publication: Hsueh, Mao-Lin; Su, Sheng-Yuan; Lin, Chu-Chieh
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: m1784 - m1786
• a: 8.1699 ± 0.0007 Å
• b: 19.7209 ± 0.0017 Å
• c: 12.2323 ± 0.0011 Å
• α: 90°
• β: 95.783 ± 0.002°
• γ: 90°
• Cell volume: 1960.8 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0536
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes