Information card for entry 7014568

Structure parameters

• Formula: C70 H68 F12 N4 O10 Ru2
• Calculated formula: C70 H68 F12 N4 O10 Ru2
• SMILES: C1(c2cc(c(c(c2)F)F)F)=[O][Ru]234([N](c5ccc(cc5)Cc5ccc(N(C)C)cc5)(C)C)[O]=C(c5cc(F)c(F)c(c5)F)O[Ru]4(O1)([N](c1ccc(cc1)Cc1ccc(N(C)C)cc1)(C)C)([O]=C(c1cc(c(c(c1)F)F)F)O2)[O]=C(c1cc(F)c(F)c(F)c1)O3.O1CCCC1.O1CCCC1
• 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: 12.153 ± 0.005 Å
• b: 20.238 ± 0.008 Å
• c: 13.955 ± 0.006 Å
• α: 90°
• β: 109.579 ± 0.005°
• γ: 90°
• Cell volume: 3234 ± 2 ų
• Cell temperature: 93.1 K
• Ambient diffraction temperature: 93.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No