Information card for entry 4322132

Structure parameters

• Chemical name: Bis-ethyl-tetracarbonyl-tetraaquo-diruthenium(II) bis-trifluoromethanesulfonate
• Formula: C10 H18 F6 O14 Ru2 S2
• Calculated formula: C10 H18 F6 O14 Ru2 S2
• SMILES: S(=O)(=O)(C(F)(F)F)[O-].C(#[O])[Ru]1(C#[O])(CC)([OH2][Ru](C#[O])(C#[O])(CC)([OH2]1)[OH2])[OH2].S(=O)(=O)(C(F)(F)F)[O-]
• Title of publication: Aqueous Organometallic Chemistry of Ruthenium(II). Aquo Carbonyl Derivatives and Related Ethene Hydrocarboxylation in Fully Aqueous Solvent
• Authors of publication: Tiziana Funaioli; Claudia Cavazza; Fabio Marchetti; Giuseppe Fachinetti
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 3361 - 3368
• a: 9.394 ± 0.001 Å
• b: 15.679 ± 0.003 Å
• c: 8.086 ± 0.001 Å
• α: 90°
• β: 95.25 ± 0.01°
• γ: 90°
• Cell volume: 1186 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No