Information card for entry 7223262

Structure parameters

• Formula: C18 H26 Cl2 N2 Pd
• Calculated formula: C18 H26 Cl2 N2 Pd
• SMILES: Cl[Pd]([NH2]CCCc1ccccc1)([NH2]CCCc1ccccc1)Cl
• 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: 9.0679 ± 0.0003 Å
• b: 8.3144 ± 0.0003 Å
• c: 26.1253 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1969.69 ± 0.13 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.022
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0288
• Weighted residual factors for all reflections included in the refinement: 0.0302
• Goodness-of-fit parameter for significantly intense reflections: 1.91
• Goodness-of-fit parameter for all reflections included in the refinement: 1.88
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No