Information card for entry 4064035

Structure parameters

• Formula: C22 H34 Bi Cl5 Ru2 S
• Calculated formula: C22 H17 Bi Cl5 Ru2 S
• SMILES: [Bi]12([Cl][Ru]345678([Ru]9%10%11%12([Cl]1)([Cl]3)([S]24)[c]1([c]9([c]%10([c]%11([c]%121C)C)C)C)CC)[c]1([c]5([c]6([c]7([c]81C)C)C)C)CC)(Cl)Cl
• Title of publication: Preparation of Incomplete Cubane-Type Ru2M(μ3-S)(μ2-Cl)3Clusters (M = Sb, Bi) and Isolation of the Ru2Sb Cluster Having a Novel μ3-SO Ligand. Functions in Oxygen Atom Transfer and Catalytic Oxidation of PPh3to O═PPh3by Molecular O2
• Authors of publication: Oya, Kazumasa; Seino, Hidetake; Akiizumi, Midori; Mizobe, Yasushi
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 11
• Pages of publication: 2939
• a: 10.3744 ± 0.0016 Å
• b: 23.785 ± 0.004 Å
• c: 11.8475 ± 0.0019 Å
• α: 90°
• β: 98.0292 ± 0.0005°
• γ: 90°
• Cell volume: 2894.8 ± 0.8 ų
• Cell temperature: 293.1 K
• Ambient diffraction temperature: 293.1 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 significantly intense reflections: 0.0331
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No