Information card for entry 4306099

Structure parameters

• Formula: C19 H24 Cl2 N4 O2 Pd2
• Calculated formula: C19 H24 Cl2 N4 O2 Pd2
• SMILES: c12[Pd]([N]3c4ccccc4[Pd]([N]=3c2ccc(c1)C)(Cl)[O]=CN(C)C)(Cl)[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: 12.689 ± 0.005 Å
• b: 5.5253 ± 0.0007 Å
• c: 31.142 ± 0.006 Å
• α: 90°
• β: 92.75 ± 0.03°
• γ: 90°
• Cell volume: 2180.9 ± 1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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 all reflections: 0.2157
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.1544
• Weighted residual factors for all reflections included in the refinement: 0.2057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54179 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No