Information card for entry 4070981

Structure parameters

• Formula: C33 H42 Cl6 N2 Ru S
• Calculated formula: C33 H42 Cl6 N2 Ru S
• SMILES: [Ru]1(Cl)(Cl)([S](c2ccccc2C=1)C(C)C)=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.C(Cl)Cl.C(Cl)Cl
• Title of publication: A Thermally Switchable Latent Ruthenium Olefin Metathesis Catalyst
• Authors of publication: Ben-Asuly, Amos; Tzur, Eyal; Diesendruck, Charles E.; Sigalov, Mark; Goldberg, Israel; Lemcoff, N. Gabriel
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 5
• Pages of publication: 811
• a: 48.6971 ± 0.0012 Å
• b: 21.1349 ± 0.0006 Å
• c: 15.3763 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15825.4 ± 0.8 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.1073
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1583
• Weighted residual factors for all reflections included in the refinement: 0.1838
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No