Information card for entry 7025918

Structure parameters

• Formula: C20 H34 Cl10 O2 Ru2 S4
• Calculated formula: C20 H34 Cl10 O2 Ru2 S4
• SMILES: C1CCCS21[Ru](C#[O])([S]1CCCC1)(Cl)(Cl)S1(CCCC1)[Ru]2(C#[O])([S]1CCCC1)(Cl)Cl.ClC(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: A straightforward and generalizable synthetic methodology for the synthesis of ruthenium(II) complexes with thioether ligands from either Ru(III) or Ru(0) precursors.
• Authors of publication: Maiti, Biplab K.; Görls, Helmar; Klobes, Olaf; Imhof, Wolfgang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 24
• Pages of publication: 5713 - 5720
• a: 8.8206 ± 0.0006 Å
• b: 9.4353 ± 0.0007 Å
• c: 11.1979 ± 0.0007 Å
• α: 75.907 ± 0.004°
• β: 85.203 ± 0.004°
• γ: 73.196 ± 0.004°
• Cell volume: 865.21 ± 0.11 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 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: 0.0506
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No