Information card for entry 7034517

Structure parameters

• Formula: C36 H28 Cl8 O10 Ru2
• Calculated formula: C36 H20 Cl8 O10 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: 20.67 ± 0.004 Å
• b: 20.241 ± 0.004 Å
• c: 9.547 ± 0.002 Å
• α: 90°
• β: 94.726 ± 0.003°
• γ: 90°
• Cell volume: 3980.7 ± 1.4 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.0427
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No