Information card for entry 7218558

Structure parameters

• Formula: C16 H15 Cl2 N3 Pd Se
• Calculated formula: C16 H15 Cl2 N3 Pd Se
• SMILES: c1cc(ccc1)Cn1n[n]2[Pd]([Se](c3ccccc3)Cc2c1)(Cl)Cl
• Title of publication: Palladium(II) complexes bearing 1,2,3-triazole based organosulfur/ selenium ligand: synthesis, structure and applications in Heck and Suzuki-Miyaura coupling as catalyst via palladium nanoparticles
• Authors of publication: Singh, Ajai kumar; Saleem, Fariha; Rao, Gyandshwar Kumar; Kumar, Arun; Kumar, Satyendra; Singh, Mahabir Pratap
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 8.8269 ± 0.0019 Å
• b: 9.289 ± 0.002 Å
• c: 20.716 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1698.6 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No