Information card for entry 4070628

Structure parameters

• Chemical name: bis[bis-(2,4,6-trifluorobenzoato-O,O')-penta(carbonyl)- diruthenium(I,I)]
• Formula: C38 H8 F12 O18 Ru4
• Calculated formula: C38 H8 F12 O18 Ru4
• SMILES: C1([O]2[Ru]3(C#[O])(C#[O])([O]=C(c4c(F)cc(F)cc4F)O[Ru]3(C#[O])(C#[O])(C#[O])[O]=1)[O]1C(c3c(F)cc(F)cc3F)=[O][Ru]3(C#[O])(C#[O])(C#[O])OC(c4c(F)cc(F)cc4F)=[O][Ru]213(C#[O])C#[O])c1c(F)cc(F)cc1F
• 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: 10.2883 ± 0.0005 Å
• b: 15.4363 ± 0.0008 Å
• c: 14.0317 ± 0.0007 Å
• α: 90°
• β: 110.34 ± 0.001°
• γ: 90°
• Cell volume: 2089.47 ± 0.18 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: 0.0254
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No