Information card for entry 7001300

Structure parameters

• Common name: bis(4,4'-di-tert-butyl-2,2'-bipyridine)-tris(2- pyridyl)triazine Ruthenium(ii) bishexafluorophosphate hema ethanol hema ethyl acetate solvate
• Chemical name: bis(4,4'-di-tert-butyl-2,2'-bipyridine)-tris(2-pyridyl)triazine Ruthenium(II) bishexafluorophosphate hema ethanol hema ethyl acetate solvate
• Formula: C57 H68 F12 N10 O P2 Ru
• Calculated formula: C57 H68 F12 N10 O P2 Ru
• Title of publication: Ruthenium polypyridine complexes of tris-(2-pyridyl)-1,3,5-triazine—unusual building blocks for the synthesis of photochemical molecular devices
• Authors of publication: Schwalbe, Matthias; Karnahl, Michael; Görls, Helmar; Chartrand, Daniel; Laverdiere, Francois; Hanan, Garry S.; Tschierlei, Stefanie; Dietzek, Benjamin; Schmitt, Michael; Popp, Jürgen; Vos, Johannes G.; Rau, Sven
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 20
• Pages of publication: 4012 - 4022
• a: 13.5169 ± 0.0005 Å
• b: 29.5879 ± 0.001 Å
• c: 15.6987 ± 0.0006 Å
• α: 90°
• β: 102.768 ± 0.002°
• γ: 90°
• Cell volume: 6123.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.219
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No