Information card for entry 4072693

Structure parameters

• Formula: C18 H28 Cl4 N6 Pd
• Calculated formula: C18 H28 Cl4 N6 Pd
• SMILES: c1(n(cc[n+]1C)CCCC#N)C.Cl[Pd](Cl)([Cl-])[Cl-].c1(n(cc[n+]1C)CCCC#N)C
• 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: 8.3277 ± 0.0004 Å
• b: 11.3897 ± 0.0008 Å
• c: 13.1294 ± 0.0009 Å
• α: 90°
• β: 104.847 ± 0.005°
• γ: 90°
• Cell volume: 1203.75 ± 0.13 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No