Information card for entry 4317903

Structure parameters

• Common name: p90n
• Chemical name: Pentaruthenium-hexakis(m-sulfido)-penta(triphenylphosphine) dichloromethane diethylether solvate
• Formula: C90 H75 Cl0 O0 P5 Ru5 S6
• Calculated formula: C90 H75 P5 Ru5 S6
• SMILES: [Ru]12345([Ru]6789%10([Ru]%11%12%131([Ru]126([Ru]7%11(S%12)(S8)(S1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)([S]39)([S]5%13)[P](c1ccccc1)(c1ccccc1)c1ccccc1)([S]4%10)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: New Class of Ruthenium Sulfide Clusters: Ru4S6(PPh3)4, Ru5S6(PPh3)5, and Ru6S8(PPh3)6
• Authors of publication: Amanda L. Eckermann; Markus Wunder; Dieter Fenske; Thomas B. Rauchfuss; Scott R. Wilson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 2004 - 2006
• a: 14.47 ± 0.009 Å
• b: 16.526 ± 0.01 Å
• c: 21.985 ± 0.013 Å
• α: 70.376 ± 0.01°
• β: 83.605 ± 0.011°
• γ: 83.16 ± 0.011°
• Cell volume: 4902 ± 5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1106
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.1937
• Weighted residual factors for all reflections included in the refinement: 0.205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No