Information card for entry 4072695

Structure parameters

• Formula: C22 H28 Cl2 N8 Pd
• Calculated formula: C22 H28 Cl2 N8 Pd
• SMILES: C1(N(C=CN1CCCC#N)CCCC#N)=[Pd](=C1N(C=CN1CCCC#N)CCCC#N)(Cl)Cl
• Title of publication: Development of Nitrile-Functionalized Ionic Liquids for C−C Coupling Reactions: Implication of Carbene and Nanoparticle Catalysts
• Authors of publication: Fei, Zhaofu; Zhao, Dongbin; Pieraccini, Daniela; Ang, Wee Han; Geldbach, Tilmann J.; Scopelliti, Rosario; Chiappe, Cinzia; Dyson, Paul J.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 7
• Pages of publication: 1588
• a: 11.3577 ± 0.0008 Å
• b: 9.8994 ± 0.0008 Å
• c: 12.3556 ± 0.001 Å
• α: 90°
• β: 113.087 ± 0.007°
• γ: 90°
• Cell volume: 1277.93 ± 0.18 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 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: 0.0299
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No