Information card for entry 7713274

Structure parameters

• Formula: C31 H38 Cl2 N2 O Ru S
• Calculated formula: C31 H38 Cl2 N2 O Ru S
• SMILES: [Ru]12(Cl)(Cl)([S](CC[O]1c1c(cccc1)C=2)C)=C1N(c2c(cc(cc2C)C)C)CCN1c1c(cc(cc1C)C)C
• Title of publication: Reactivity regulation for olefin metathesis-catalyzing ruthenium complexes with sulfur atoms at the terminal of 2-alkoxybenzylidene ligands.
• Authors of publication: Kinugawa, Tsubasa; Matsuo, Takashi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 13.1608 ± 0.0002 Å
• b: 10.8969 ± 0.0002 Å
• c: 21.8863 ± 0.0004 Å
• α: 90°
• β: 103.35 ± 0.007°
• γ: 90°
• Cell volume: 3053.94 ± 0.13 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103.15 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: 0.0335
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.231
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No