Information card for entry 7014560

Structure parameters

• Formula: C36 H20 F16 O10 Ru2
• Calculated formula: C36 H20 F16 O10 Ru2
• SMILES: [Ru]1234([Ru]([O]=C(O1)c1c(F)c(F)c(F)c(F)c1)(OC(=[O]2)c1cc(F)c(F)c(F)c1F)([O]=C(O3)c1cc(F)c(F)c(F)c1F)(OC(=[O]4)c1c(F)c(F)c(F)c(F)c1)[O]1CCCC1)[O]1CCCC1
• Title of publication: Tuning of the ionization potential of paddlewheel diruthenium(II, II) complexes with fluorine atoms on the benzoate ligands.
• Authors of publication: Miyasaka, Hitoshi; Motokawa, Natsuko; Atsuumi, Ryo; Kamo, Hiromichi; Asai, Yuichiro; Yamashita, Masahiro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 3
• Pages of publication: 673 - 682
• a: 12.666 ± 0.003 Å
• b: 17.274 ± 0.004 Å
• c: 17.523 ± 0.004 Å
• α: 90°
• β: 107.667 ± 0.004°
• γ: 90°
• Cell volume: 3653.1 ± 1.5 ų
• Cell temperature: 93.1 K
• Ambient diffraction temperature: 93.1 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 significantly intense reflections: 0.0523
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No