Information card for entry 4326172

Structure parameters

• Formula: C22 H16 N2 Pd S2
• Calculated formula: C22 H16 N2 Pd S2
• SMILES: [Pd]12(c3sccc3C=[N]1c1ccccc1)c1sccc1C=[N]2c1ccccc1
• Title of publication: Novel Cyclopalladated Imino-thiophenes: Synthesis and Reactivity Toward Alkynes and Carbon Monoxide
• Authors of publication: Luciano Cuesta; Dune Prat; Tatiana Soler; Rafael Navarro; Esteban P. Urriolabeitia
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 8598 - 8607
• a: 16.5125 ± 0.0013 Å
• b: 10.2662 ± 0.0008 Å
• c: 22.1841 ± 0.0017 Å
• α: 90°
• β: 95.676 ± 0.002°
• γ: 90°
• Cell volume: 3742.2 ± 0.5 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No