Information card for entry 1556325

Structure parameters

• Formula: C15 H29 Cl2 N3 Pd
• Calculated formula: C15 H29 Cl2 N3 Pd
• SMILES: c1(cc(C)n2CC[NH](CCCCCCCC)[Pd]([n]12)(Cl)Cl)C
• 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: 8.1051 ± 0.0008 Å
• b: 11.1155 ± 0.0009 Å
• c: 22.6264 ± 0.0006 Å
• α: 77.784 ± 0.005°
• β: 89.987 ± 0.004°
• γ: 71.894 ± 0.003°
• Cell volume: 1888.9 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0182
• Residual factor for significantly intense reflections: 0.0161
• Weighted residual factors for significantly intense reflections: 0.0393
• Weighted residual factors for all reflections included in the refinement: 0.0409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No