Information card for entry 2018621

Structure parameters

• Chemical name: <i>rac</i>-dichlorido{1-[(2-methoxyethyl)sulfanyl]-2-[(2- methoxyethyl)sulfinyl]benzene-κ^2^<i>S</i>,<i>S</i>'}palladium(II)
• Formula: C12 H18 Cl2 O3 Pd S2
• Calculated formula: C12 H18 Cl2 O3 Pd S2
• Title of publication: <i>rac</i>-1-[(2-Methoxyethyl)sulfanyl]-2-[(2-methoxyethyl)sulfinyl]benzene and its PdCl~2~ complex
• Authors of publication: Traeger, J.; Kelling, A.; Schilde, U.; Holdt, H.-J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: m238 - m241
• a: 10.6595 ± 0.0005 Å
• b: 12.9818 ± 0.0007 Å
• c: 12.2828 ± 0.0008 Å
• α: 90°
• β: 96.416 ± 0.004°
• γ: 90°
• Cell volume: 1689.04 ± 0.16 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.0212
• Weighted residual factors for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections included in the refinement: 0.054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes