Information card for entry 7027525

Structure parameters

• Formula: C52 H45 Cl4 N12 O18.5 Ru2
• Calculated formula: C52 H36 Cl4 N12 O18.5 Ru2
• Title of publication: Structural, electrochemical and UV/VIS/NIR spectroelectrochemical properties of diastereomerically pure dinuclear ruthenium complexes based on the bridging ligand phenanthroline-5,6-diimine, and a mononuclear by-product with a peripheral isoimidazole group
• Authors of publication: Fletcher, Nicholas C.; Robinson, Toby C.; Behrendt, Andreas; Jeffery, John C.; Reeves, Zoe R.; Ward, Michael D.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 17
• Pages of publication: 2999
• a: 29.3 ± 0.008 Å
• b: 17.762 ± 0.008 Å
• c: 22.139 ± 0.008 Å
• α: 90°
• β: 97.19 ± 0.02°
• γ: 90°
• Cell volume: 11431 ± 7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1412
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections: 0.213
• Weighted residual factors for significantly intense reflections: 0.1729
• Goodness-of-fit parameter for all reflections: 1.017
• Goodness-of-fit parameter for significantly intense reflections: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No