Information card for entry 4112705

Structure parameters

• Common name: [Ru2II(mu-OAc)(bpp)(trpy)2](PF6)2
• Formula: C51 H46 F12 N10 O4 P2 Ru2
• Calculated formula: C51 H46 F12 N10 O4 P2 Ru2
• Title of publication: A New Ru Complex Capable of Catalytically Oxidizing Water to Molecular Dioxygen
• Authors of publication: Cristina Sens; Isabel Romero; Montserrat Rodríguez; Antoni Llobet; Teodor Parella; Jordi Benet-Buchholz
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 7798 - 7799
• a: 12.81 ± 0.0011 Å
• b: 14.3191 ± 0.0012 Å
• c: 17.3027 ± 0.0019 Å
• α: 83.756 ± 0.005°
• β: 68.314 ± 0.003°
• γ: 64.237 ± 0.003°
• Cell volume: 2650.9 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0982
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No