Information card for entry 7018188

Structure parameters

• Common name: bis(4,4'-Ditertbutyl-2,2'-bipyridyl)(1,6,7,12- tetraazaperylene)-ruthenium(ii) bis(hexafluorophosphate)
• Chemical name: bis(4,4'-Ditertbutyl-2,2'-bipyridyl)(1,6,7,12-tetraazaperylene)-ruthenium(ii) bis(hexafluorophosphate)
• Formula: C61 H75 F12 N8 O3.5 P2 Ru
• Calculated formula: C61 H75 F12 N8 O3.5 P2 Ru
• Title of publication: Mono- and dinuclear ruthenium(ii) 1,6,7,12-tetraazaperylene complexes.
• Authors of publication: Brietzke, Thomas; Mickler, Wulfhard; Kelling, Alexandra; Holdt, Hans-Jürgen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 9
• Pages of publication: 2788 - 2797
• a: 11.6866 ± 0.001 Å
• b: 16.5502 ± 0.0016 Å
• c: 18.6083 ± 0.0017 Å
• α: 67.838 ± 0.007°
• β: 81.554 ± 0.007°
• γ: 75.338 ± 0.007°
• Cell volume: 3219.4 ± 0.5 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 0.859
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No