Information card for entry 7034512

Structure parameters

• Formula: C36 H24 Cl12 O10 Ru2
• Calculated formula: C36 H24 Cl12 O10 Ru2
• SMILES: C1(c2cc(Cl)c(cc2Cl)Cl)=[O][Ru]234([O]5CCCC5)[O]=C(c5c(cc(c(c5)Cl)Cl)Cl)O[Ru]4([O]=C(c4c(cc(c(c4)Cl)Cl)Cl)O2)([O]=C(c2c(cc(c(c2)Cl)Cl)Cl)O3)(O1)[O]1CCCC1
• Title of publication: The effect of chlorine and fluorine substitutions on tuning the ionization potential of benzoate-bridged paddlewheel diruthenium(ii, ii) complexes.
• Authors of publication: Kosaka, Wataru; Itoh, Masahisa; Miyasaka, Hitoshi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 17
• Pages of publication: 8156 - 8168
• a: 9.3702 ± 0.0017 Å
• b: 10.3639 ± 0.0018 Å
• c: 12.289 ± 0.002 Å
• α: 69.52 ± 0.011°
• β: 71.324 ± 0.009°
• γ: 77.853 ± 0.011°
• Cell volume: 1052.6 ± 0.3 ų
• Cell temperature: 97 K
• Ambient diffraction temperature: 97 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No