Information card for entry 7223261

Structure parameters

• Formula: C22 H32 N2 O4 Pd
• Calculated formula: C22 H32 N2 O4 Pd
• SMILES: [Pd](OC(=O)C)(OC(=O)C)([NH2]CCCc1ccccc1)[NH2]CCCc1ccccc1
• Title of publication: Palladium complexes with 3-phenylpropylamine ligand: synthesis, structures, theoretical studies and application in the aerobic oxidation of alcohols as a heterogeneous catalyst
• Authors of publication: karami, kazem; Haghighat Naeini, Nasrin; Eigner, Václav; Dušek, Michal; Lipkowski, Janusz; Hervés, Pablo; Tavakol, Hossein
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 10.635 ± 0.0014 Å
• b: 6.838 ± 0.0007 Å
• c: 33.586 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2442.4 ± 0.5 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0979
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No