Information card for entry 4301854

Structure parameters

• Formula: C46 H30 F12 N6 P2 Ru
• Calculated formula: C46 H30 F12 N6 P2 Ru
• SMILES: [P](F)(F)(F)(F)(F)[F-].[Ru]1234([n]5cccc6cccc(c56)c5[n]1c(ccc5)c1cccc5ccc[n]3c15)[n]1cccc3cccc(c13)c1[n]2c(ccc1)c1cccc2ccc[n]4c12.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Facile Synthesis of Bistridentate RuII Complexes Based on 2,6-Di(quinolin-8-yl)pyridyl Ligands: Sensitizers with Microsecond 3MLCT Excited State Lifetimes
• Authors of publication: Michael Jäger; Rohan J. Kumar; Helmar Görls; Jonas Bergquist; Olof Johansson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 3228 - 3238
• a: 7.7411 ± 0.0002 Å
• b: 22.3201 ± 0.0007 Å
• c: 11.5095 ± 0.0004 Å
• α: 90°
• β: 94.901 ± 0.002°
• γ: 90°
• Cell volume: 1981.37 ± 0.11 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No