Information card for entry 4115874

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)CC)([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: Allylic C-H Bond Activation on a Sulfur Center of a Disulfide-Bridged Diruthenium Complex with Concomitant Formation of C-S Bonds
• Authors of publication: Md. Munkir Hossain; Yong-Shou Lin; Hiroyasu Sugiyama; Kazuko Matsumoto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 172 - 173
• a: 12.624 ± 0.0005 Å
• b: 13.4087 ± 0.0005 Å
• c: 20.2605 ± 0.0007 Å
• α: 104.679 ± 0.001°
• β: 91.826 ± 0.001°
• γ: 91.535 ± 0.001°
• Cell volume: 3313.7 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0811
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No