Information card for entry 4306100

Structure parameters

• Formula: C18 H24 Cl2 N2 O2 Pd2 S2
• Calculated formula: C18 H24 Cl2 N2 O2 Pd2 S2
• SMILES: c1c2[N]3[Pd](c4c(ccc(c4)C)[N]=3[Pd](c2cc(c1)C)([O]=S(C)C)Cl)([O]=S(C)C)Cl
• 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: 6.5629 ± 0.0004 Å
• b: 7.272 ± 0.0003 Å
• c: 12.5433 ± 0.0006 Å
• α: 87.916 ± 0.004°
• β: 81.087 ± 0.004°
• γ: 67.428 ± 0.004°
• Cell volume: 545.93 ± 0.05 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54179 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No