Information card for entry 7713275

Structure parameters

• Formula: C31 H38 Cl2 N2 O2 Ru
• Calculated formula: C31 H38 Cl2 N2 O2 Ru
• SMILES: [Ru]1(Cl)(Cl)([O](c2c(cccc2)C=1)CCOC)=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: 13.2694 ± 0.0002 Å
• b: 10.71431 ± 0.00019 Å
• c: 21.4432 ± 0.0004 Å
• α: 90°
• β: 101.277 ± 0.007°
• γ: 90°
• Cell volume: 2989.77 ± 0.12 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103.15 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: 0.0356
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No