Information card for entry 4071185

Structure parameters

• Formula: C40 H51 Cl6 F6 N4 O P Ru
• Calculated formula: C40 H51 Cl6 F6 N4 O P Ru
• SMILES: [Ru]1(Cl)([O](c2c(C=1)cc(cc2)CCC[n]1ccn(c1)C)C(C)C)(Cl)=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.ClCCl.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl
• Title of publication: Ionic Liquid Anchored “Boomerang” Catalysts Bearing Saturated and Unsaturated NHCs: Recyclability in Biphasic Media for Cross-Metathesis
• Authors of publication: Clavier, Hervé; Nolan, Steven P.; Mauduit, Marc
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 10
• Pages of publication: 2287
• a: 23.998 ± 0.002 Å
• b: 10.1734 ± 0.001 Å
• c: 19.0161 ± 0.0019 Å
• α: 90°
• β: 95.455 ± 0.002°
• γ: 90°
• Cell volume: 4621.6 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0782
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No