Information card for entry 4070629

Structure parameters

• Chemical name: bis[bis-(pentafluorobenzoato-O,O')-penta(carbonyl)- diruthenium(I,I)]
• Formula: C38 F20 O18 Ru4
• Calculated formula: C38 F20 O18 Ru4
• SMILES: C1(c2c(F)c(F)c(F)c(F)c2F)=[O][Ru]23(C#[O])([Ru](C#[O])(O1)(C#[O])(C#[O])[O]=C(c1c(F)c(F)c(F)c(F)c1F)[O]2[Ru]12(C#[O])(C#[O])[O]3C(c3c(F)c(F)c(F)c(F)c3F)=[O][Ru]2(C#[O])(C#[O])(C#[O])OC(c2c(F)c(F)c(F)c(F)c2F)=[O]1)C#[O]
• 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: 9.6158 ± 0.001 Å
• b: 10.5643 ± 0.0011 Å
• c: 11.7591 ± 0.0012 Å
• α: 112.876 ± 0.001°
• β: 95.196 ± 0.002°
• γ: 91.192 ± 0.002°
• Cell volume: 1094 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No