Information card for entry 7063403

Structure parameters

• Formula: C48 H46 N2 O2 P2 Pd S2
• Calculated formula: C48 H46 N2 O2 P2 Pd S2
• SMILES: c1(ccncc1)S[Pd]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)Sc1ccncc1.CO.CO
• Title of publication: Bimetallic Pd/Cu complexes of pyridylchalcogenolates and their catalytic activity in the Sonogashira reaction
• Authors of publication: Pal, M. K.; Wadawale, A. P.; Dey, S.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 36
• Pages of publication: 15823 - 15829
• a: 13.1283 ± 0.0002 Å
• b: 19.3886 ± 0.0003 Å
• c: 8.7656 ± 0.0001 Å
• α: 90°
• β: 91.432 ± 0.001°
• γ: 90°
• Cell volume: 2230.49 ± 0.05 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.0572
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No