Information card for entry 4067153

Structure parameters

• Formula: C36 H36 Cl2 F6 O7 P Ru2 S4
• Calculated formula: C36 H35 Cl2 F6 O7 P Ru2 S4
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Ru]1672345[P]2(c3ccccc3)c3c(cccc3)[S]1[Ru]13457([c]7([c]1([c]3([c]4([c]57C)C)C)C)C)([OH2])[S]6c1c2cccc1.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(Cl)Cl
• Title of publication: Preparation of Thiolate-Bridged Dinuclear Ruthenium Complexes Bearing a Phosphine Ligand and Application to Propargylic Reduction of Propargylic Alcohols with 2-Propanol
• Authors of publication: Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 22
• Pages of publication: 5994
• a: 11.6815 ± 0.0009 Å
• b: 12.2521 ± 0.0012 Å
• c: 15.3294 ± 0.0015 Å
• α: 90°
• β: 104.493 ± 0.005°
• γ: 90°
• Cell volume: 2124.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0858
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No