Information card for entry 4306098

Structure parameters

• Formula: C22 H18 Cl2 N4 Pd2
• Calculated formula: C22 H18 Cl2 N4 Pd2
• SMILES: Cl[Pd]1(c2c(cccc2)[N]2=[N]1c1c([Pd]2([n]2ccccc2)Cl)cccc1)[n]1ccccc1
• 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: 5.2111 ± 0.0011 Å
• b: 17.221 ± 0.003 Å
• c: 12.1709 ± 0.0012 Å
• α: 90°
• β: 102.032 ± 0.014°
• γ: 90°
• Cell volume: 1068.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.1756
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No