Information card for entry 1502694

Structure parameters

• Formula: C34 H35 Cl9 N2 O14 Ru3
• Calculated formula: C34 H35 Cl9 N2 O14 Ru3
• SMILES: c1cc2c(cccc2)c[n]1[Ru]1234[O]5[Ru]6(C#[O])([O]=C(C)O1)(OC(C)=[O]2)[O]=C(C)O[Ru]5([n]1ccc2c(c1)cccc2)([O]=C(C)O6)([O]=C(C)O3)OC(C)=[O]4.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Electronic structural effects in self-exchange reactions.
• Authors of publication: Goeltz, John C.; Benson, Eric E.; Kubiak, Clifford P.
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2010
• Journal volume: 114
• Journal issue: 45
• Pages of publication: 14729 - 14734
• a: 14.657 ± 0.006 Å
• b: 18.3 ± 0.008 Å
• c: 17.958 ± 0.008 Å
• α: 90°
• β: 95.826 ± 0.006°
• γ: 90°
• Cell volume: 4792 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0529
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No