Information card for entry 4326171

Structure parameters

• Formula: C30 H20 Cl2 N2 Pd2 S2
• Calculated formula: C30 H20 Cl2 N2 Pd2 S2
• SMILES: [N]1(c2ccccc2)[Pd]2(c3c(C=1)c1c(cccc1)s3)[Cl][Pd]1(c3c(C=[N]1c1ccccc1)c1c(cccc1)s3)[Cl]2
• 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: 6.1334 ± 0.0011 Å
• b: 10.3097 ± 0.0018 Å
• c: 11.48 ± 0.002 Å
• α: 108.826 ± 0.004°
• β: 100.35 ± 0.004°
• γ: 101.074 ± 0.004°
• Cell volume: 651.1 ± 0.2 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No