Information card for entry 4080637

Structure parameters

• Formula: C24 H25 Cl4 N O2 Pd S
• Calculated formula: C24 H25 Cl4 N O2 Pd S
• SMILES: [Pd]12([S](CCC[NH]2C(c2c1cccc2)c1c(O)cc(cc1)OC)c1ccccc1)Cl.ClC(Cl)Cl
• Title of publication: Palladacycles of Thioethers Catalyzing Suzuki‒Miyaura C‒C Coupling: Generation and Catalytic Activity of Nanoparticles
• Authors of publication: Rao, Gyandshwar Kumar; Kumar, Arun; Kumar, Satyendra; Dupare, Umesh B.; Singh, Ajai K.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 8
• Pages of publication: 2452
• a: 8.948 ± 0.002 Å
• b: 10.178 ± 0.003 Å
• c: 14.684 ± 0.004 Å
• α: 86.059 ± 0.005°
• β: 86.844 ± 0.005°
• γ: 80.961 ± 0.005°
• Cell volume: 1316.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1041
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.1563
• Weighted residual factors for all reflections included in the refinement: 0.1673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No