Information card for entry 4312907

Structure parameters

• Common name: trans-[Ru(II)(NH3)4(H2O)(SO2)](Tos)2
• Chemical name: trans-Tetraammineaquo(sulfur dioxide)ruthenium(II) tosylate
• Formula: C14 H28 N4 O9 Ru S3
• Calculated formula: C14 H28 N4 O9 Ru S3
• SMILES: [Ru]([S](=O)=O)([OH2])([NH3])([NH3])([NH3])[NH3].S(=O)(=O)([O-])c1ccc(cc1)C.S(=O)(=O)([O-])c1ccc(cc1)C
• 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: 6.6769 ± 0.0002 Å
• b: 13.0777 ± 0.0003 Å
• c: 13.6128 ± 0.0004 Å
• α: 94.445 ± 0.001°
• β: 92.84 ± 0.001°
• γ: 103.597 ± 0.001°
• Cell volume: 1149.04 ± 0.06 ų
• Cell temperature: 90 ± 1 K
• Ambient diffraction temperature: 90 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No