Information card for entry 4323829

Structure parameters

• Formula: C16 H9 N O10 Ru3 S
• Calculated formula: C16 H9 N O10 Ru3 S
• SMILES: [Ru]123([Ru]4([Ru]1([N]24[S@](=O)(c1ccccc1)C)(C#[O])(C#[O])(C#[O])[H]3)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: [(μ2-H)Ru3(CO)9{μ3-NS(O)MePh}]: An Electron-Deficient Trinuclear Cluster Containing a Chiral Sulfoximido Cap
• Authors of publication: Georg Süss-Fink; Gerd Rheinwald; Helen Stoeckli-Evans; Carsten Bolm; Daniel Kaufmann
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 3081 - 3082
• a: 11.891 ± 0.001 Å
• b: 12.857 ± 0.001 Å
• c: 14.187 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2168.9 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections: 0.0957
• Weighted residual factors for significantly intense reflections: 0.0873
• Goodness-of-fit parameter for all reflections: 1.072
• Goodness-of-fit parameter for significantly intense reflections: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No