Information card for entry 4115002

Structure parameters

• Common name: trans-[Ru(II)(NH3)4(H2O)(SO2)](C6H5SO3)2
• Chemical name: trans-Tetraammineaquo(sulfur dioxide)ruthenium(II) benzene sulfonate
• Formula: C12 H24 N4 O9 Ru S3
• Calculated formula: C12 H23.78 N4 O9 Ru S3
• Title of publication: The First Photocrystallographic Evidence for Light-Induced Metastable Linkage Isomers of Ruthenium Sulfur Dioxide Complexes
• Authors of publication: Andrey Yu. Kovalevsky; Kimberly A. Bagley; Philip Coppens
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 9241 - 9248
• a: 7.0244 ± 0.0002 Å
• b: 12.8381 ± 0.0003 Å
• c: 13.0303 ± 0.0003 Å
• α: 111.581 ± 0.001°
• β: 90.336 ± 0.001°
• γ: 101.447 ± 0.001°
• Cell volume: 1066.95 ± 0.05 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: 0.0521
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.333
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No