Information card for entry 4312909

Structure parameters

• Common name: trans-[Ru(II)(NH3)4(CF3COO)(SO2)](CF3COO)(CF3COOH) (1/1/1)
• Chemical name: trans-Tetraammine(trifluoroactate)(sulfur dioxide)ruthenium(II) trifluoroacetate trifluoroacetic acid
• Formula: C6 H13 F9 N4 O8 Ru S
• Calculated formula: C6 H13 F9 N4 O8 Ru S
• SMILES: [Ru]([S](=O)=O)(OC(=O)C(F)(F)F)([NH3])([NH3])([NH3])[NH3].FC(F)(F)C(=O)O.FC(F)(F)C(=O)[O-]
• Title of publication: Light-Induced Metastable Linkage Isomers of Ruthenium Sulfur Dioxide Complexes
• Authors of publication: Andrey Yu. Kovalevsky; Kimberly A. Bagley; Jacqueline M. Cole; Philip Coppens
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 140 - 147
• a: 9.2938 ± 0.0004 Å
• b: 27.274 ± 0.001 Å
• c: 7.0515 ± 0.0003 Å
• α: 90°
• β: 104.073 ± 0.001°
• γ: 90°
• Cell volume: 1733.76 ± 0.12 ų
• Cell temperature: 90 ± 1 K
• Ambient diffraction temperature: 90 ± 1 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0235
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No