Information card for entry 4318851

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(=C)C1)([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: 12.385 ± 0.0017 Å
• b: 13.77 ± 0.0019 Å
• c: 18.19 ± 0.002 Å
• α: 90°
• β: 95.616 ± 0.002°
• γ: 90°
• Cell volume: 3087.3 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0371
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No