Information card for entry 4066775

Structure parameters

• Formula: C44 H63 Cl4 F6 P Ru2
• Calculated formula: C44 H63 Cl4 F6 P Ru2
• SMILES: C(=Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)=[Ru]12(Cl)([Cl][Ru]34567([c]8([cH]3[cH]4[c]5([cH]6[cH]78)C(C)C)C)([Cl]1)[Cl]2)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1.C1CCCCC1
• 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: 11.7425 ± 0.0003 Å
• b: 14.9593 ± 0.0004 Å
• c: 27.2256 ± 0.0006 Å
• α: 90°
• β: 101.938 ± 0.001°
• γ: 90°
• Cell volume: 4679 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1084
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No