Information card for entry 4078112

Structure parameters

• Formula: C31 H44 Cl O P Ru2 S
• Calculated formula: C31 H44 Cl O P Ru2 S
• SMILES: [Ru]1234567([Ru]89%10%11%12%13([S]1[C]9(=[CH]38)C(O)c1ccccc1)([P]2(C)C)[c]1([c]%10([c]%11([c]%12([c]%131C)C)C)C)C)[c]1([c]4([c]5([c]6([c]71C)C)C)C)C.[Cl-]
• Title of publication: Synthesis and Reactivity of Hybrid Phosphido- and Hydrosulfido-Bridged Diruthenium Complexes: Transformations into Diruthenium and Tetraruthenium Complexes Bridged by Phosphido and Sulfido Ligands
• Authors of publication: Miyake, Yoshihiro; Moriyama, Taichi; Tanabe, Yoshiaki; Endo, Satoshi; Nishibayashi, Yoshiaki
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 8
• Pages of publication: 3292
• a: 14.037 ± 0.0007 Å
• b: 19.5485 ± 0.0009 Å
• c: 11.3344 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3110.2 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No