Information card for entry 4070513

Structure parameters

• Formula: C55 H42 O6 P2 Ru3 S4
• Calculated formula: C55 H42 O6 P2 Ru3 S4
• SMILES: [Ru]123([S]4[Ru]([P](C[P]3(c3ccccc3)c3ccccc3)(c3ccccc3)c3ccccc3)([S]1c1ccccc1)([S]([Ru]4([S]2c1ccccc1)(C#[O])(C#[O])c1ccccc1)c1ccccc1)(C#[O])C#[O])(C#[O])C#[O]
• Title of publication: Facile E−E and E−C Bond Activation of PhEEPh (E = Te, Se, S) by Ruthenium Carbonyl Clusters: Formation of Di- and Triruthenium Complexes Bearing Bridging dppm and Phenylchalcogenide and Capping Chalcogenido Ligands
• Authors of publication: Begum, Noorjahan; Hyder, Md. Iqbal; Hassan, Mohammad R.; Kabir, Shariff E.; Bennett, Dennis W.; Haworth, Daniel T.; Siddiquee, Tasneem A.; Rokhsana, Dalia; Sharmin, Ayesha; Rosenberg, Edward
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 7
• Pages of publication: 1550
• a: 13.243 ± 0.005 Å
• b: 13.758 ± 0.005 Å
• c: 16.578 ± 0.005 Å
• α: 97.57 ± 0.005°
• β: 91.79 ± 0.005°
• γ: 117.29 ± 0.005°
• Cell volume: 2646.4 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No