Information card for entry 7034521

Structure parameters

• Formula: C36 H32 Cl4 O10 Ru2
• Calculated formula: C36 H32 Cl4 O10 Ru2
• SMILES: O1[Ru]234([O]=C(c5cc(ccc5)Cl)O[Ru]4([O]=C(c4cc(ccc4)Cl)O2)([O]=C1c1cc(ccc1)Cl)(OC(c1cc(ccc1)Cl)=[O]3)[O]1CCCC1)[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: 8.9314 ± 0.0009 Å
• b: 19.65 ± 0.002 Å
• c: 11.025 ± 0.0012 Å
• α: 90°
• β: 102.797 ± 0.0015°
• γ: 90°
• Cell volume: 1886.8 ± 0.3 ų
• Cell temperature: 97 K
• Ambient diffraction temperature: 97 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No