Information card for entry 4072694

Structure parameters

• Formula: C22 H30 Cl4 N8 Pd
• Calculated formula: C22 H30 Cl4 N8 Pd
• SMILES: c1n(cc[n+]1CCCC#N)CCCC#N.Cl[Pd](Cl)([Cl-])[Cl-].c1n(cc[n+]1CCCC#N)CCCC#N
• 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: 8.3363 ± 0.0007 Å
• b: 8.8898 ± 0.0006 Å
• c: 10.6673 ± 0.0011 Å
• α: 90.517 ± 0.008°
• β: 107.26 ± 0.008°
• γ: 113.689 ± 0.007°
• Cell volume: 683.85 ± 0.12 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No