Information card for entry 7103250

Structure parameters

• Formula: C50 H26 F10 N12 O4
• Calculated formula: C50 H26 F10 N12 O4
• SMILES: n1c(cccc1)N(c1ncccc1)c1nc(nc(n1)Oc1ccccc1)Oc1c(c(c(c(c1F)F)F)F)F
• Title of publication: Concurrent anion...pi interactions between a perchlorate ion and two pi-acidic aromatic rings, namely pentafluorophenol and 1,3,5-triazine.
• Authors of publication: Götz, Rens J; Robertazzi, Arturo; Mutikainen, Ilpo; Turpeinen, Urho; Gamez, Patrick; Reedijk, Jan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 29
• Pages of publication: 3384 - 3386
• a: 16.139 ± 0.003 Å
• b: 6.2526 ± 0.0013 Å
• c: 44.715 ± 0.008 Å
• α: 90°
• β: 98.2 ± 0.03°
• γ: 90°
• Cell volume: 4466.1 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.2212
• Residual factor for significantly intense reflections: 0.126
• Weighted residual factors for significantly intense reflections: 0.2388
• Weighted residual factors for all reflections included in the refinement: 0.2807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No