Information card for entry 4306101

Structure parameters

• Formula: C20 H26 Cl2 N6 O4 Pd2
• Calculated formula: C20 H26 Cl2 N6 O4 Pd2
• SMILES: N(=O)(=O)c1cc2[Pd](Cl)([N]3=[N]([Pd](c4c3ccc(N(C)C)c4)(Cl)[O]=CN(C)C)c2cc1)[O]=CN(C)C
• Title of publication: Synthesis and Characterization of Dicyclopalladated Complexes of Azobenzene Derivatives by Experimental and Computational Methods
• Authors of publication: Darko Babić; Manda Ćurić; Krešimir Molčanov; Gregor Ilc; Janez Plavec
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10446 - 10454
• a: 14.1137 ± 0.0008 Å
• b: 14.1118 ± 0.0006 Å
• c: 13.8309 ± 0.0007 Å
• α: 90°
• β: 114.6 ± 0.006°
• γ: 90°
• Cell volume: 2504.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No