Information card for entry 4069828

Structure parameters

• Formula: C39 H40 Cl4 N2 Ru S
• Calculated formula: C39 H40 Cl4 N2 Ru S
• SMILES: [Ru]1(Cl)(Cl)([S](c2ccccc2C=1)c1cc2ccccc2cc1)=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.C(Cl)Cl
• Title of publication: Photoactivation of Ruthenium Olefin Metathesis Initiators
• Authors of publication: Ben-Asuly, Amos; Aharoni, Anna; Diesendruck, Charles E.; Vidavsky, Yuval; Goldberg, Israel; Straub, Bernd F.; Lemcoff, N. Gabriel
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 16
• Pages of publication: 4652
• a: 13.8353 ± 0.0002 Å
• b: 15.5902 ± 0.0002 Å
• c: 16.9225 ± 0.0003 Å
• α: 90 ± 0.0006°
• β: 90.2919 ± 0.0006°
• γ: 90 ± 0.0009°
• Cell volume: 3650.05 ± 0.1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• 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: 0.064
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No