Information card for entry 7025915

Structure parameters

• Formula: C18 H34 Cl8 O4 Ru S4
• Calculated formula: C18 H34 Cl8 O4 Ru S4
• SMILES: C1COCC[S]1[Ru](Cl)([S]1CCOCC1)([S]1CCOCC1)([S]1CCOCC1)Cl.C(Cl)(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: 12.9993 ± 0.0004 Å
• b: 9.6273 ± 0.0003 Å
• c: 12.945 ± 0.0004 Å
• α: 90°
• β: 90.5 ± 0.002°
• γ: 90°
• Cell volume: 1619.98 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No