Information card for entry 2207024

Structure parameters

• Formula: C17 H12 Cl2 N2 Pd S2
• Calculated formula: C17 H12 Cl2 N2 Pd S2
• SMILES: [Pd]1(Cl)(Cl)[n]2c(sc3ccccc23)SCc2cccc3ccc[n]1c23
• Title of publication: Dichloro[8-(1,3-benzothiazol-2-ylsulfanylmethyl)quinoline-κ<i>N</i>,<i>N</i>']palladium(II)
• Authors of publication: Song, Rui-Feng; Liu, Jia-Hui; Qian, Hui; Zhao, Kai-Yuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: m2142 - m2144
• a: 12.417 ± 0.003 Å
• b: 10.152 ± 0.003 Å
• c: 14.541 ± 0.005 Å
• α: 90°
• β: 109.492 ± 0.005°
• γ: 90°
• Cell volume: 1727.9 ± 0.9 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0246
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes