Information card for entry 7063634

Structure parameters

• Formula: C44 H36 Cl2 Pd S2
• Calculated formula: C44 H36 Cl2 Pd S2
• Title of publication: A trans-palladium dichloride complex with a bulky organosulfur ligand: syntheses, structure, and applications in catalytic alkylation of acetophenone and secondary alcohols using alcohols
• Authors of publication: K., Gaatha; Kumar, Sunil; Sharma, Ashutosh; Bhuvanesh, Nattamai; Roy, Partha; Joshi, Hemant
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 10
• Pages of publication: 3956 - 3968
• a: 21.9194 ± 0.0007 Å
• b: 6.1161 ± 0.0002 Å
• c: 26.6465 ± 0.0009 Å
• α: 90°
• β: 90.928 ± 0.002°
• γ: 90°
• Cell volume: 3571.8 ± 0.2 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0251
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No