Information card for entry 4113434

Structure parameters

• Common name: 99179
• Formula: C19 H20 F6 O7 Ru S2
• Calculated formula: C19 H20 F6 O7 Ru S2
• SMILES: [Ru]123456789%10([c]%11([cH]5[cH]4[cH]3[cH]2[cH]1%11)C=O)[c]1([cH]%10[cH]9[c]8([cH]7[cH]61)C(C)C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Remarkably Favorable Hydration of Carbonyl Substituents in Dicationic Bis(arene) Ruthenium Complexes
• Authors of publication: Elsa L. Velarde; Rosary A. Stephen; Rena N. Mansour; Linh T. Hoang; David J. Burkey
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 1188 - 1189
• a: 11.038 ± 0.004 Å
• b: 11.68 ± 0.004 Å
• c: 18.45 ± 0.004 Å
• α: 90°
• β: 97.76 ± 0.02°
• γ: 90°
• Cell volume: 2356.9 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for all reflections: 0.0923
• Weighted residual factors for significantly intense reflections: 0.0831
• Goodness-of-fit parameter for all reflections: 0.905
• Goodness-of-fit parameter for significantly intense reflections: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No