Information card for entry 2240050

Structure parameters

• Chemical name: (2,11-Diaza[3.3](2,6)pyridinophane-\ κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')(1,6,7,12-tetraazaperylene-\ κ^2^<i>N</i>^1^,<i>N</i>^12^)ruthenium(II) bis(hexafluoridophosphate) acetonitrile 1.422-solvate
• Formula: C32.84 H28.27 F12 N9.42 P2 Ru
• Calculated formula: C32.843 H28.2645 F12 N9.4215 P2 Ru
• Title of publication: Crystal structure of (2,11-diaza[3.3](2,6)pyridinophane-<i>{κ</i>}^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')(1,6,7,12-tetraazaperylene-<i>{κ</i>}^2^<i>N</i>^1^,<i>N</i>^12^)ruthenium(II) bis(hexafluoridophosphate) acetonitrile 1.422-solvate
• Authors of publication: Brietzke, Thomas; Rottke, Falko Otto; Kelling, Alexandra; Schilde, Uwe; Holdt, Hans-Jürgen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 10
• Pages of publication: 265 - 268
• a: 11.7027 ± 0.0003 Å
• b: 21.7157 ± 0.0007 Å
• c: 13.9377 ± 0.0004 Å
• α: 90°
• β: 97.938 ± 0.002°
• γ: 90°
• Cell volume: 3508.08 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0567
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.1461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes