Information card for entry 7034518

Structure parameters

• Formula: C36 H24 Cl12 O10 Ru2
• Calculated formula: C36 H24 Cl12 O10 Ru2
• SMILES: O1[Ru]234([O]5CCCC5)[O]=C(c5cc(c(c(c5)Cl)Cl)Cl)O[Ru]4([O]=C(c4cc(c(c(c4)Cl)Cl)Cl)O2)(OC(c2cc(c(c(c2)Cl)Cl)Cl)=[O]3)([O]=C1c1cc(c(c(c1)Cl)Cl)Cl)[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: 7.771 ± 0.005 Å
• b: 11.887 ± 0.007 Å
• c: 12.322 ± 0.007 Å
• α: 80.866 ± 0.012°
• β: 87.016 ± 0.015°
• γ: 89.751 ± 0.016°
• Cell volume: 1122.3 ± 1.2 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No