Information card for entry 7001077

Structure parameters

• Formula: C24 H28 Cl2 N6 O2 Pd2
• Calculated formula: C24 H28 Cl2 N6 O2 Pd2
• SMILES: c1cccc2C(=O)N3C4CCC(C)(C)[N]=4[Pd]45([n]6ccccc6C(=O)N4C4CCC(C)(C)[N]=4[Pd]35([n]12)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: 12.032 ± 0.004 Å
• b: 13.255 ± 0.004 Å
• c: 16.918 ± 0.006 Å
• α: 90°
• β: 94.612 ± 0.012°
• γ: 90°
• Cell volume: 2689.4 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.033
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No