Information card for entry 4336434

Structure parameters

• Common name: LaineSuperU06_2013
• Chemical name: [(ttpy)Ru(tpy-Q-ph)]3(PF6)
• Formula: C73.75 H47 F18 N8 O2.5 P3 Ru
• Calculated formula: C73.54 H47 F18 N8 O2.5 P3 Ru
• Title of publication: Molecular Dyads of Ruthenium(II)- or Osmium(II)-Bis(terpyridine) Chromophores and Expanded Pyridinium Acceptors: Equilibration between MLCT and Charge-Separated Excited States
• Authors of publication: Jérôme Fortage; Grégory Dupeyre; Fabien Tuyèras; Valérie Marvaud; Philippe Ochsenbein; Ilaria Ciofini; Magdaléna Hromadová; Lubomír Pospísil; Antonino Arrigo; Emanuela Trovato; Fausto Puntoriero; Philippe P. Lainé; Sebastiano Campagna
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11944 - 11955
• a: 20.282 ± 0.0009 Å
• b: 8.425 ± 0.0004 Å
• c: 40.1465 ± 0.0018 Å
• α: 90°
• β: 91.21 ± 0.003°
• γ: 90°
• Cell volume: 6858.5 ± 0.5 ų
• Cell temperature: 113 ± 1 K
• Ambient diffraction temperature: 113 ± 1 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1233
• Residual factor for significantly intense reflections: 0.0988
• Weighted residual factors for significantly intense reflections: 0.2224
• Weighted residual factors for all reflections included in the refinement: 0.2293
• Goodness-of-fit parameter for all reflections included in the refinement: 2.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No