Information card for entry 4070627

Structure parameters

• Chemical name: bis[bis-(2,3,4-trifluorobenzoato-O,O')-penta(carbonyl)- diruthenium(I,I)]
• Formula: C38 H8 F12 O18 Ru4
• Calculated formula: C38 H8 F12 O18 Ru4
• SMILES: C1(c2c(F)c(F)c(F)cc2)=[O][Ru]23(C#[O])(C#[O])[O](C(c4c(F)c(F)c(F)cc4)=[O][Ru]2(C#[O])(C#[O])(O1)C#[O])[Ru]12(C#[O])(C#[O])[O]=C(c4c(F)c(F)c(F)cc4)O[Ru]2(C#[O])(C#[O])(C#[O])[O]=C(c2c(F)c(F)c(F)cc2)[O]31
• Title of publication: Influence of Electron-Deficient Ruthenium(I) Carbonyl Carboxylates on the Vinylogous Reactivity of Metal Carbenoids
• Authors of publication: Sevryugina, Yulia; Weaver, Beth; Hansen, Jørn; Thompson, Janelle; Davies, Huw M. L.; Petrukhina, Marina A.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 8
• Pages of publication: 1750
• a: 10.3336 ± 0.0005 Å
• b: 11.8386 ± 0.0006 Å
• c: 18.0531 ± 0.001 Å
• α: 90°
• β: 106.042 ± 0.001°
• γ: 90°
• Cell volume: 2122.53 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0221
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.0507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No