Information card for entry 1512695

Structure parameters

• Formula: C18 H16 Cl2 N4 Pd
• Calculated formula: C18 H16 Cl2 N4 Pd
• SMILES: [Pd](Cl)(Cl)([n]1ccn(c1)c1ccccc1)[n]1ccn(c1)c1ccccc1
• Title of publication: Imidazole containing palladium(II) complexes as efficient pre-catalyst systems for Heck and Suzuki coupling reaction: Synthesis, structural characterization and catalytic properties
• Authors of publication: Manoj Trivedi; Gurmeet Singh; R. Nagarajan; Nigam P. Rath
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 393
• Pages of publication: 107 - 116
• a: 7.0872 ± 0.0004 Å
• b: 7.8015 ± 0.0005 Å
• c: 9.473 ± 0.0006 Å
• α: 106.659 ± 0.003°
• β: 99.131 ± 0.003°
• γ: 115.376 ± 0.003°
• Cell volume: 428.72 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0232
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections included in the refinement: 0.0483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No