Information card for entry 7001076

Structure parameters

• Formula: C25 H31 Cl7 N6 O2 Pd2
• Calculated formula: C25 H31 Cl7 N6 O2 Pd2
• SMILES: C1(=O)c2cccc[n]2[Pd]([N]1=C1CCC(C)(C)N1)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Single-pot template transformations of cyanopyridines on a PdII centre: syntheses of ketoimine and 2,4-dipyridyl-1,3,5-triazapentadiene palladium(II) complexes and their catalytic activity for microwave-assisted Suzuki‒Miyaura and Heck reactions
• Authors of publication: Kopylovich, Maximilian N.; Lasri, Jamal; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 16
• Pages of publication: 3074 - 3084
• a: 13.595 ± 0.003 Å
• b: 15.092 ± 0.003 Å
• c: 19.045 ± 0.005 Å
• α: 66.858 ± 0.012°
• β: 89.921 ± 0.01°
• γ: 72.589 ± 0.011°
• Cell volume: 3398.3 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No