Information card for entry 7014566

Structure parameters

• Formula: C36 H24 F12 O10 Ru2
• Calculated formula: C36 H24 F12 O10 Ru2
• SMILES: C1(c2c(F)cc(F)cc2F)=[O][Ru]234([O]5CCCC5)[O]=C(c5c(cc(cc5F)F)F)O[Ru]4(O1)([O]=C(c1c(cc(cc1F)F)F)O2)([O]=C(c1c(F)cc(F)cc1F)O3)[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: 8.7241 ± 0.0005 Å
• b: 12.0006 ± 0.0008 Å
• c: 17.9403 ± 0.0008 Å
• α: 90°
• β: 101.429 ± 0.002°
• γ: 90°
• Cell volume: 1841.01 ± 0.18 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for all reflections included in the refinement: 0.0655
• 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