Information card for entry 7014575

Structure parameters

• Formula: C36 H32 F4 O10 Ru2
• Calculated formula: C36 H32 F4 O10 Ru2
• SMILES: C1(c2ccc(cc2)F)=[O][Ru]234([O]5CCCC5)[O]=C(c5ccc(cc5)F)O[Ru]4(O1)([O]=C(c1ccc(F)cc1)O3)([O]=C(c1ccc(F)cc1)O2)[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: 9.0627 ± 0.0019 Å
• b: 17.772 ± 0.003 Å
• c: 11.225 ± 0.002 Å
• α: 90°
• β: 109.466 ± 0.002°
• γ: 90°
• Cell volume: 1704.6 ± 0.6 ų
• Cell temperature: 103.1 K
• Ambient diffraction temperature: 103.1 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: 0.0313
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No