Information card for entry 4073565

Structure parameters

• Formula: C17 H4 O11 Ru4 S
• Calculated formula: C17 H4 O11 Ru4 S
• SMILES: [Ru]123([Ru]4567([Ru]89%10([Ru]%111(S248)([C]135C=CC=C[C]69%111)(C%10=O)(C#[O])C#[O])(C7=O)(C#[O])C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: New Ruthenium Carbonyl Clusters Containing Unusual μ5-Sulfido-, μ4-Benzyne-, and Thianthrene-Derived Ligands: Insertion of Ruthenium into the Thianthrene Ring by C−S Activation
• Authors of publication: Hassan, Mohammad R.; Kabir, Shariff E.; Nicholson, Brian K.; Nordlander, Ebbe; Uddin, Md. Nazim
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 18
• Pages of publication: 4627
• a: 14.4705 ± 0.0004 Å
• b: 10.5311 ± 0.0003 Å
• c: 28.5654 ± 0.0009 Å
• α: 90°
• β: 91.963 ± 0.001°
• γ: 90°
• Cell volume: 4350.5 ± 0.2 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.225
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No