Information card for entry 4085644

Structure parameters

• Formula: C20 H29 Cl O6 Ru S4
• Calculated formula: C20 H29 Cl O6 Ru S4
• SMILES: C1(=CC(c2ccccc2)=[O][Ru]2341[S]1CC[S]2CCC[S]3CC[S]4CCC1)OC.Cl(=O)(=O)(=O)[O-]
• Title of publication: Synthesis, Spectroscopic and Theoretical Studies of Ruthenafuran and Osmafuran Prepared by Activation of Ynone in Alcohol
• Authors of publication: Tsui, Wai-Kuen; Chung, Lai-Hon; Tsang, Wai-Him; Yeung, Chi-Fung; Chiu, Chun-Hong; Lo, Hoi-Shing; Wong, Chun-Yuen
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 6
• Pages of publication: 1005
• a: 9.4805 ± 0.0004 Å
• b: 11.4022 ± 0.0004 Å
• c: 12.9735 ± 0.0004 Å
• α: 75.48 ± 0.003°
• β: 71.716 ± 0.004°
• γ: 78.169 ± 0.003°
• Cell volume: 1276.84 ± 0.09 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No