Information card for entry 1556327

Structure parameters

• Formula: C30 H56 Cl2 N4 O2 Pd
• Calculated formula: C30 H56 Cl2 N4 O2 Pd
• 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: 8.1693 ± 0.0008 Å
• b: 9.1162 ± 0.001 Å
• c: 22.9935 ± 0.0007 Å
• α: 93.592 ± 0.003°
• β: 91.806 ± 0.005°
• γ: 89.939 ± 0.006°
• Cell volume: 1708.2 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1022
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1632
• Weighted residual factors for all reflections included in the refinement: 0.182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No