Information card for entry 7025913

Structure parameters

• Formula: C7 H8 Cl2 O4 Ru S
• Calculated formula: C7 H8 Cl2 O4 Ru S
• SMILES: [Ru](Cl)(Cl)([S]1CCOCC1)(C#[O])(C#[O])C#[O]
• 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: 6.0582 ± 0.0003 Å
• b: 8.892 ± 0.0004 Å
• c: 22.1496 ± 0.0009 Å
• α: 90°
• β: 95.771 ± 0.003°
• γ: 90°
• Cell volume: 1187.14 ± 0.09 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.0608
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No