Information card for entry 4064773

Structure parameters

• Formula: C29 H31 Cl2 F3 N2 Ru S
• Calculated formula: C29 H31 Cl2 F3 N2 Ru S
• SMILES: [Ru]1(Cl)(Cl)([S](C(F)(F)F)c2ccccc2C=1)=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Widening the Latency Gap in Chelated Ruthenium Olefin Metathesis Catalysts
• Authors of publication: Ginzburg, Yakov; Anaby, Aviel; Vidavsky, Yuval; Diesendruck, Charles E.; Ben-Asuly, Amos; Goldberg, Israel; Lemcoff, N. Gabriel
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 12
• Pages of publication: 3430
• a: 8.1012 ± 0.0001 Å
• b: 30.4955 ± 0.0005 Å
• c: 40.8572 ± 0.0008 Å
• α: 90°
• β: 95.2562 ± 0.0007°
• γ: 90°
• Cell volume: 10051.3 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1148
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 0.868
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No