Information card for entry 4066772

Structure parameters

• Formula: C38 H57 Cl6 P Ru2
• Calculated formula: C38 H57 Cl6 P Ru2
• SMILES: C(=Cc1ccc(cc1)C)=[Ru]12(Cl)([Cl][Ru]34567([c]8([cH]7[cH]6[c]5([cH]4[cH]38)C(C)C)C)([Cl]1)[Cl]2)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1.C(Cl)Cl
• Title of publication: Homobimetallic Ruthenium−Arene Complexes Bearing Vinylidene Ligands: Synthesis, Characterization, and Catalytic Application in Olefin Metathesis
• Authors of publication: Borguet, Yannick; Sauvage, Xavier; Zaragoza, Guillermo; Demonceau, Albert; Delaude, Lionel
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 24
• Pages of publication: 6675
• a: 10.0415 ± 0.0005 Å
• b: 19.4236 ± 0.0009 Å
• c: 22.2011 ± 0.0011 Å
• α: 97.39 ± 0.002°
• β: 100.954 ± 0.002°
• γ: 100.116 ± 0.002°
• Cell volume: 4126 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No