Information card for entry 4322131

Structure parameters

• Chemical name: Tris-aquo-tricarbonyl-ruthenium(II) di-tetrafluoborate
• Formula: C3 H6 B2 F8 O6 Ru
• Calculated formula: C3 H6 B2 F8 O6 Ru
• SMILES: [B](F)(F)(F)[F-].[B](F)(F)(F)[F-].C(#[O])[Ru]([OH2])(C#[O])(C#[O])([OH2])[OH2]
• 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: 7.5675 ± 0.0011 Å
• b: 7.5675 ± 0.0011 Å
• c: 34.703 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1721.1 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0203
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.0491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No