Information card for entry 4072307

Structure parameters

• Formula: C25 H43 Cl2 P Ru2 S
• Calculated formula: C25 H43 Cl2 P Ru2 S
• SMILES: [Ru]123456([Ru]789%10(Cl)([S]1C(C)C)([P]2(C)C)[c]1([c]7([c]8([c]9([c]%101C)C)C)C)C)(Cl)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C
• 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: 17.0596 ± 0.0007 Å
• b: 8.9122 ± 0.0003 Å
• c: 18.6207 ± 0.0007 Å
• α: 90°
• β: 93.9558 ± 0.0014°
• γ: 90°
• Cell volume: 2824.32 ± 0.18 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No