Information card for entry 4318849

Structure parameters

• Formula: C33 H64 F12 N6 O24 P4 Ru2 S4 Se2
• Calculated formula: C33 H64 F12 N6 O24 P4 Ru2 S4 Se2
• SMILES: [Se]1([Ru]([N]#CC)([N]#CC)([N]#CC)([P](OC)(OC)OC)[P](OC)(OC)OC)C(C)(C)CC[Se]1[Ru]([N]#CC)([N]#CC)([N]#CC)([P](OC)(OC)OC)[P](OC)(OC)OC.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: 12.751 ± 0.007 Å
• b: 13.084 ± 0.008 Å
• c: 21.728 ± 0.013 Å
• α: 106.016 ± 0.01°
• β: 91.271 ± 0.014°
• γ: 91.651 ± 0.012°
• Cell volume: 3481 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3564
• Residual factor for significantly intense reflections: 0.0936
• Weighted residual factors for significantly intense reflections: 0.1607
• Weighted residual factors for all reflections included in the refinement: 0.2472
• Goodness-of-fit parameter for all reflections included in the refinement: 0.815
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No