Information card for entry 7034520

Structure parameters

• Formula: C42 H42 Cl8 O10 Ru2
• Calculated formula: C42 H42 Cl8 O10 Ru2
• SMILES: C1(c2cc(cc(c2)Cl)Cl)=[O][Ru]234([O]=C(c5cc(cc(c5)Cl)Cl)O[Ru]4([O]=C(c4cc(cc(c4)Cl)Cl)O2)(O1)([O]=C(c1cc(cc(c1)Cl)Cl)O3)[O]1CCCC1)[O]1CCCC1.CCCCCC
• 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: 8.924 ± 0.004 Å
• b: 11.032 ± 0.003 Å
• c: 13.507 ± 0.0019 Å
• α: 68.76 ± 0.07°
• β: 71.86 ± 0.08°
• γ: 74.94 ± 0.08°
• Cell volume: 1161.5 ± 1 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0328
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No