Information card for entry 4318853

Structure parameters

• Formula: C32 H59 Cl F12 N6 O24 P4 Ru2 S4 Se2
• Calculated formula: C32 H59 Cl F12 N6 O24 P4 Ru2 S4 Se2
• SMILES: C1C(C[Se]([Ru]([N]#CC)([N]#CC)([N]#CC)([P](OC)(OC)OC)[P](OC)(OC)OC)[Se]1[Ru]([N]#CC)([N]#CC)([N]#CC)([P](OC)(OC)OC)[P](OC)(OC)OC)=CCl.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: 12.217 ± 0.003 Å
• b: 14.474 ± 0.003 Å
• c: 18.817 ± 0.004 Å
• α: 82.398 ± 0.004°
• β: 89.546 ± 0.004°
• γ: 84.426 ± 0.003°
• Cell volume: 3282.5 ± 1.3 ų
• Cell temperature: 124 ± 2 K
• Ambient diffraction temperature: 124 ± 2 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.236
• Residual factor for significantly intense reflections: 0.0857
• Weighted residual factors for significantly intense reflections: 0.188
• Weighted residual factors for all reflections included in the refinement: 0.2452
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No