Information card for entry 4064434

Structure parameters

• Formula: C79 H90 Cl10 N4 Ru4
• Calculated formula: C79 H90 Cl10 N4 Ru4
• SMILES: [Ru]1234567([Cl][Ru]([Cl]1)([Cl]2)(Cl)(=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=C=Cc1ccccc1)[c]1([cH]3[cH]4[c]5([cH]6[cH]71)C(C)C)C.C(Cl)Cl
• Title of publication: Synthesis and Catalytic Evaluation in Olefin Metathesis of a Second-Generation Homobimetallic Ruthenium‒Arene Complex Bearing a Vinylidene Ligand
• Authors of publication: Borguet, Yannick; Sauvage, Xavier; Zaragoza, Guillermo; Demonceau, Albert; Delaude, Lionel
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 10
• Pages of publication: 2730
• a: 17.03 ± 0.004 Å
• b: 15.802 ± 0.004 Å
• c: 28.816 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7755 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No