Information card for entry 4069827

Structure parameters

• Formula: C38 H38 Cl2 N2 Ru S
• Calculated formula: C38 H38 Cl2 N2 Ru S
• SMILES: [Ru]1(Cl)(Cl)([S](c2ccccc2C=1)c1cc2ccccc2cc1)=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• 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: 38.9862 ± 0.0009 Å
• b: 8.5771 ± 0.0003 Å
• c: 28.1811 ± 0.0008 Å
• α: 90°
• β: 125.811 ± 0.0017°
• γ: 90°
• Cell volume: 7642 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0971
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1598
• Weighted residual factors for all reflections included in the refinement: 0.1693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No