Information card for entry 1547502

Structure parameters

• Formula: C19.5 H20 Cl3 N Pd S
• Calculated formula: C19.5 H20 Cl3 N Pd S
• SMILES: [Pd]1([S](c2ccccc2)CC[NH]1Cc1c2c(cccc2)ccc1)(Cl)Cl.ClCCl
• 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: 9.2268 ± 0.0017 Å
• b: 11.055 ± 0.002 Å
• c: 21.199 ± 0.004 Å
• α: 84.46 ± 0.004°
• β: 82.473 ± 0.004°
• γ: 72.438 ± 0.004°
• Cell volume: 2040.1 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.133
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No