Information card for entry 4110944

Structure parameters

• Formula: C49 H30 Cl0 F12 N7.5 P2 Ru
• Calculated formula: C49 H30 F12 N7.5 P2 Ru
• SMILES: [Ru]1234([n]5cccc6c5c(ccc6)c5[n]1c(ccc5)c1c5[n]2cccc5ccc1)[n]1cccc2c1c(ccc2)c1[n]3c(ccc1)c1c2[n]4cccc2ccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC
• Title of publication: A 3.0 μs Room Temperature Excited State Lifetime of a Bistridentate RuII-Polypyridine Complex for Rod-like Molecular Arrays
• Authors of publication: Maria Abrahamsson; Michael Jäger; Tomas Österman; Lars Eriksson; Petter Persson; Hans-Christian Becker; Olof Johansson; Leif Hammarström
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 12616 - 12617
• a: 10.5531 ± 0.0007 Å
• b: 14.559 ± 0.0011 Å
• c: 16.1074 ± 0.0014 Å
• α: 80.593 ± 0.007°
• β: 76.37 ± 0.007°
• γ: 88.287 ± 0.006°
• Cell volume: 2372.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.2258
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.1733
• Goodness-of-fit parameter for all reflections included in the refinement: 0.714
• Diffraction radiation wavelength: 0.7093 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No