Information card for entry 4113241

Structure parameters

• Formula: C18 H22 Cl4 N4 Pd
• Calculated formula: C18 H22 Cl4 N4 Pd
• SMILES: [Pd](Cl)(Cl)([Cl-])[Cl-].[n+]1(ccccc1)CCCC#N.[n+]1(ccccc1)CCCC#N
• Title of publication: Nitrile-Functionalized Pyridinium Ionic Liquids: Synthesis, Characterization, and Their Application in Carbon-Carbon Coupling Reactions
• Authors of publication: Dongbin Zhao; Zhaofu Fei; Tilmann J. Geldbach; Rosario Scopelliti; Paul J. Dyson
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 15876 - 15882
• a: 14.142 ± 0.007 Å
• b: 10.421 ± 0.005 Å
• c: 15.367 ± 0.003 Å
• α: 90°
• β: 104.78 ± 0.03°
• γ: 90°
• Cell volume: 2189.8 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.082
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No