Information card for entry 4115240

Structure parameters

• Formula: C32 H60 F12 N6 O24 P4 Ru2 S6
• Calculated formula: C32 H60 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)CC=CC1)([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: Dehydration Reaction of Hydroxyl Substituted Alkenes and Alkynes on the Ru2S2 Complex
• Authors of publication: Kazuko Matsumoto; Yoshihiro Moriya; Hiroyasu Sugiyama; Md. Munkir Hossain; Yong-Shou Lin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 13106 - 13113
• a: 12.354 ± 0.003 Å
• b: 14.255 ± 0.004 Å
• c: 18.387 ± 0.005 Å
• α: 90°
• β: 96.553 ± 0.005°
• γ: 90°
• Cell volume: 3216.9 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0882
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.182
• Weighted residual factors for all reflections included in the refinement: 0.2029
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No