Information card for entry 4320398

Structure parameters

• Formula: C33 H62 F12 N6 O24 P4 Ru2 S6
• Calculated formula: C33 H62 F12 N6 O24 P4 Ru2 S6
• SMILES: [Ru]([S]1[S]([Ru]([P](OC)(OC)OC)([P](OC)(OC)OC)([N]#CC)([N]#CC)[N]#CC)[C@@]2([C@H]1CC2)C)([P](OC)(OC)OC)([P](OC)(OC)OC)([N]#CC)([N]#CC)[N]#CC.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].FC(S(=O)(=O)[O-])(F)F.[Ru]([S]1[S]([Ru]([P](OC)(OC)OC)([P](OC)(OC)OC)([N]#CC)([N]#CC)[N]#CC)[C@]2([C@@H]1CC2)C)([P](OC)(OC)OC)([P](OC)(OC)OC)([N]#CC)([N]#CC)[N]#CC.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].FC(S(=O)(=O)[O-])(F)F
• Title of publication: Facile Allylic C-H Bond Activation on the Bridging Disulfide Ligand in the RuIII Dinuclear Complex Having a Conjugated RuSSRu Core
• Authors of publication: Hiroyasu Sugiyama; Yong-Shou Lin; Hossain; Kazuko Matsumoto
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 5547 - 5552
• a: 12.0626 ± 0.0018 Å
• b: 20.535 ± 0.003 Å
• c: 26.819 ± 0.004 Å
• α: 90°
• β: 92.039 ± 0.004°
• γ: 90°
• Cell volume: 6639 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2413
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.1972
• Weighted residual factors for all reflections included in the refinement: 0.2623
• Goodness-of-fit parameter for all reflections included in the refinement: 0.844
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoK?a
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No