Information card for entry 4320397

Structure parameters

• Formula: C33 H64 F12 N6 O24 P4 Ru2 S6
• Calculated formula: C33 H64 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(CC1)(C)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-].C(F)(F)(F)S(=O)(=O)[O-]
• 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: 12.7356 ± 0.001 Å
• b: 12.7416 ± 0.0009 Å
• c: 20.6047 ± 0.0015 Å
• α: 94.527 ± 0.002°
• β: 105.947 ± 0.001°
• γ: 90.173 ± 0.002°
• Cell volume: 3203.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1053
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.1919
• Weighted residual factors for all reflections included in the refinement: 0.2114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoK?a
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No