Information card for entry 1547499

Structure parameters

• Formula: C19 H16 Cl N Pd S
• Calculated formula: C19 H16 Cl N Pd S
• SMILES: c1c([S]2[Pd]3(c4cccc5c4c(C=[N]3CC2)ccc5)Cl)cccc1
• Title of publication: Sonogashira (Cu and amine free) and Suzuki coupling in air catalyzed <i>via</i> nanoparticles formed <i>in situ</i> from Pd( <scp>ii</scp> ) complexes of chalcogenated Schiff bases of 1-naphthaldehyde and their reduced forms
• Authors of publication: Bhaskar, Renu; Sharma, Alpesh K.; Yadav, Manoj K.; Singh, Ajai K.
• Journal of publication: Dalton Transactions
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 44
• Pages of publication: 15235 - 15248
• a: 14.971 ± 0.002 Å
• b: 8.5731 ± 0.0012 Å
• c: 26.443 ± 0.004 Å
• α: 90°
• β: 96.075 ± 0.002°
• γ: 90°
• Cell volume: 3374.8 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.234
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No