Information card for entry 1556326

Structure parameters

• Formula: C15 H28 Cl2 N2 Pd S
• Calculated formula: C15 H28 Cl2 N2 Pd S
• Title of publication: Palladium catalytic systems with hybrid pyrazole ligands in C‒C coupling reactions. Nanoparticles versus molecular complexes
• Authors of publication: Peral, Daniel; Gómez-Villarraga, Fernando; Sala, Xavier; Pons, Josefina; Carles Bayón, J.; Ros, Josep; Guerrero, Miguel; Vendier, Laure; Lecante, Pierre; García-Antón, Jordi; Philippot, Karine
• Journal of publication: Catal. Sci. Technol.
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 2
• Pages of publication: 475
• a: 8.1752 ± 0.0008 Å
• b: 15.2655 ± 0.0006 Å
• c: 15.457 ± 0.001 Å
• α: 94.321 ± 0.007°
• β: 90.451 ± 0.005°
• γ: 93.185 ± 0.004°
• Cell volume: 1920.4 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0272
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0548
• Weighted residual factors for all reflections included in the refinement: 0.0585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No