Information card for entry 4306437

Structure parameters

• Formula: C82.5 H72 F24 N14 P4 Ru2 S6
• Calculated formula: C82.5 H72 F24 N14 P4 Ru2 S6
• Title of publication: Ruthenium(II) Coordination Chemistry of a Fused Donor-Acceptor Ligand: Synthesis, Characterization, and Photoinduced Electron-Transfer Reactions of [{Ru(bpy)2}n(TTF-ppb)](PF6)2n (n= 1, 2)
• Authors of publication: Christine Goze; Nathalie Dupont; Elvira Beitler; Claudia Leiggener; Hongpeng Jia; Philippe Monbaron; Shi-Xia Liu; Antonia Neels; Andreas Hauser; Silvio Decurtins
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 11010 - 11017
• a: 15.6106 ± 0.0019 Å
• b: 25.8029 ± 0.0017 Å
• c: 23.333 ± 0.003 Å
• α: 90°
• β: 98.558 ± 0.01°
• γ: 90°
• Cell volume: 9293.9 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1382
• Residual factor for significantly intense reflections: 0.0838
• Weighted residual factors for significantly intense reflections: 0.1917
• Weighted residual factors for all reflections included in the refinement: 0.2201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No