Information card for entry 4513044

Structure parameters

• Formula: C45 H57 Cl F N2 O3 P Ru
• Calculated formula: C45 H57 Cl F N2 O3 P Ru
• SMILES: [Ru](Cl)([P](OC(C)C)(OC(C)C)OC(C)C)(F)(=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=C1C=C(c2ccccc12)c1ccccc1
• Title of publication: Ruthenium Olefin Metathesis Catalysts Containing Fluoride
• Authors of publication: Guidone, Stefano; Songis, Olivier; Falivene, Laura; Nahra, Fady; Slawin, Alexandra M. Z.; Jacobsen, Heiko; Cavallo, Luigi; Cazin, Catherine S. J.
• Journal of publication: ACS Catalysis
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 7
• Pages of publication: 3932
• a: 9.25 ± 0.003 Å
• b: 10.543 ± 0.003 Å
• c: 21.668 ± 0.006 Å
• α: 84.919 ± 0.007°
• β: 89.766 ± 0.007°
• γ: 81.66 ± 0.007°
• Cell volume: 2082.5 ± 1.1 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.1536
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No