Information card for entry 2239614

Structure parameters

• Chemical name: (1,6,7,12-Tetraazaperylene-κ^2^<i>N</i>,<i>N</i>')bis(4,4',5,5'-tetramethyl-2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')ruthenium(II) bis(hexafluoridophosphate) acetonitrile trisolvate
• Formula: C50 H49 F12 N11 P2 Ru
• Calculated formula: C48 H46 F12 N10 P2 Ru
• Title of publication: (1,6,7,12-Tetraazaperylene-κ^2^<i>N</i>,<i>N</i>')bis(4,4',5,5'-tetramethyl-2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')ruthenium(II) bis(hexafluoridophosphate) acetonitrile trisolvate
• Authors of publication: Brietzke, Thomas; Kässler, Daniel; Kelling, Alexandra; Schilde, Uwe; Holdt, Hans-Jürgen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: m238 - m239
• a: 12.7485 ± 0.0005 Å
• b: 13.6973 ± 0.0007 Å
• c: 17.3623 ± 0.0009 Å
• α: 105.786 ± 0.004°
• β: 92.858 ± 0.004°
• γ: 110.436 ± 0.003°
• Cell volume: 2698.3 ± 0.2 ų
• Cell temperature: 210 K
• Ambient diffraction temperature: 210 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes