Information card for entry 4072308

Structure parameters

• Formula: C32 H49 Cl2 O P Ru2 S
• Calculated formula: C32 H49 Cl2 O P Ru2 S
• SMILES: [Ru]123456([Ru]789%10(Cl)([S]1c1ccccc1)([P]2(C)C)[c]1([c]7([c]8([c]9([c]%101C)C)C)C)C)(Cl)[c]1([c]6([c]5([c]4([c]31C)C)C)C)C.O1CCCC1
• Title of publication: Synthesis and Reactivity of Hybrid Phosphido- and Thiolato-Bridged Diruthenium Complexes
• Authors of publication: Miyake, Yoshihiro; Endo, Satoshi; Yuki, Masahiro; Tanabe, Yoshiaki; Nishibayashi, Yoshiaki
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 22
• Pages of publication: 6039
• a: 10.5851 ± 0.0004 Å
• b: 12.3136 ± 0.0007 Å
• c: 13.1597 ± 0.0007 Å
• α: 78.4177 ± 0.0017°
• β: 81.6515 ± 0.0015°
• γ: 89.9665 ± 0.0016°
• Cell volume: 1661.79 ± 0.14 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for all reflections included in the refinement: 0.0494
• 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