Information card for entry 4318847

Structure parameters

• Formula: C31 H58 F12 N6 O24 P4 Ru2 S6
• Calculated formula: C31 H58 F12 N6 O24 P4 Ru2 S6
• SMILES: [Ru]([S]1CC=C[S]1[Ru]([P](OC)(OC)OC)([P](OC)(OC)OC)([N]#CC)([N]#CC)[N]#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: Elimination of HX (X = Cl, Br) from Haloalkenes on the Ru2Q2 (Q = S, Se) Core Complex
• Authors of publication: Shiho Hatemata; Hiroyasu Sugiyama; Saori Sasaki; Kazuko Matsumoto
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 6006 - 6012
• a: 12.421 ± 0.005 Å
• b: 13.384 ± 0.005 Å
• c: 19.454 ± 0.007 Å
• α: 105.695 ± 0.007°
• β: 93.443 ± 0.007°
• γ: 93.039 ± 0.007°
• Cell volume: 3100 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1291
• Residual factor for significantly intense reflections: 0.0954
• Weighted residual factors for significantly intense reflections: 0.2501
• Weighted residual factors for all reflections included in the refinement: 0.2816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No