Information card for entry 4107517

Structure parameters

• Formula: C38 H46 Cl2 Ru2 S2
• Calculated formula: C38 H46 Cl2 Ru2 S2
• SMILES: [Ru]123456([Ru]789%10([S]1C)([S]2C)([c]1([c]7([c]8([c]9([c]%101C)C)C)C)C)C#CC(=C(c1ccccc1)c1ccccc1)Cl)(Cl)[c]1([c]6([c]5([c]4([c]31C)C)C)C)C
• Title of publication: Ruthenium-Catalyzed Vinylic Substitution Reactions with Nucleophiles via Butatrienylidene Intermediates
• Authors of publication: Yoshihiro Yamauchi; Masahiro Yuki; Yoshiaki Tanabe; Yoshihiro Miyake; Youichi Inada; Sakae Uemura; Yoshiaki Nishibayashi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 2908 - 2909
• a: 8.8042 ± 0.0001 Å
• b: 24.7788 ± 0.0003 Å
• c: 17.0166 ± 0.0003 Å
• α: 90°
• β: 101.457 ± 0.0002°
• γ: 90°
• Cell volume: 3638.33 ± 0.09 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No