Information card for entry 4323718

Structure parameters

• Chemical name: [biscyclopentadienyldiruthenium tetracarbonyl(μ-hydride)](trifloromethyl sulfonate]
• Formula: C15 H11 F3 O7 Ru2 S
• Calculated formula: C15 H11 F3 O7 Ru2 S
• SMILES: [RuH]1234([cH]5[cH]1[cH]2[cH]3[cH]45)(C#[O])C#[O].[Ru]1234([cH]5[cH]4[cH]3[cH]2[cH]15)(C#[O])C#[O].S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Cyclopentadienyl Ligand Effects on Enthalpies of Protonation of the Ru-Ru Bond in Cp'2Ru2(CO)4 Complexes
• Authors of publication: Chip Nataro; Leonard M. Thomas; Robert J. Angelici
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 6000 - 6008
• a: 14.399 ± 0.003 Å
• b: 16.128 ± 0.003 Å
• c: 16.045 ± 0.003 Å
• α: 90°
• β: 94.62 ± 0.03°
• γ: 90°
• Cell volume: 3714 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0869
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections: 0.2
• Weighted residual factors for significantly intense reflections: 0.1839
• Goodness-of-fit parameter for all reflections: 1.18
• Goodness-of-fit parameter for significantly intense reflections: 1.214
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No