Information card for entry 7034516

Structure parameters

• Formula: C44 H40 F8 O12 Ru2
• Calculated formula: C44 H40 F8 O12 Ru2
• 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: 10.013 ± 0.004 Å
• b: 10.618 ± 0.005 Å
• c: 10.661 ± 0.005 Å
• α: 84.303 ± 0.013°
• β: 72.127 ± 0.011°
• γ: 78.646 ± 0.012°
• Cell volume: 1056.7 ± 0.8 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: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No