Information card for entry 7034507

Structure parameters

• Formula: C36 H24 Cl12 O10 Ru2
• Calculated formula: C36 H24 Cl12 O10 Ru2
• SMILES: C1(c2c(c(c(cc2)Cl)Cl)Cl)=[O][Ru]234([O]=C(c5c(c(c(cc5)Cl)Cl)Cl)O[Ru]4(O1)([O]=C(c1c(c(c(cc1)Cl)Cl)Cl)O2)([O]=C(c1c(c(c(cc1)Cl)Cl)Cl)O3)[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: 10.5437 ± 0.0011 Å
• b: 12.9354 ± 0.0014 Å
• c: 15.4899 ± 0.0018 Å
• α: 90°
• β: 92.213 ± 0.004°
• γ: 90°
• Cell volume: 2111 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0497
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No