Information card for entry 7027526

Structure parameters

• Formula: C39 H34 F12 N10 P2 Ru
• Calculated formula: C39 H34 F12 N10 P2 Ru
• SMILES: [P](F)(F)(F)(F)(F)[F-].[Ru]123([n]4ccccc4c4cccc[n]14)([n]1cccc4c1c1c(ccc[n]31)c1c4[N]C(C)(C)[N]1)[n]1ccccc1c1cccc[n]21.CC#N.[P](F)(F)(F)(F)(F)[F-].CC#N
• 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: 13.862 ± 0.002 Å
• b: 15.622 ± 0.002 Å
• c: 19.794 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4286.4 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 41
• Hermann-Mauguin space group symbol: A b a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for all reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.078
• Goodness-of-fit parameter for all reflections: 0.997
• Goodness-of-fit parameter for significantly intense reflections: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No