Information card for entry 4068802

Structure parameters

• Formula: C33 H42 Br2 Cl2 Ru2 S2
• Calculated formula: C33 H42 Br2 Cl2 Ru2 S2
• Title of publication: Remarkable Effect of Halogens on Catalytic Activities of Thiolato-Bridged Diruthenium Complexes in Propargylic Substitution Reactions
• Authors of publication: Tanabe, Yoshiaki; Kanao, Keiichiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 4
• Pages of publication: 1138
• a: 15.965 ± 0.0005 Å
• b: 13.204 ± 0.0003 Å
• c: 17.0513 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3594.45 ± 0.16 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections included in the refinement: 0.1433
• 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: No
• Has Fobs: No