Information card for entry 7225894

Structure parameters

• Chemical name: 1,3,5-tris(3-iodo-1-pyridiniomethyl)-2,4,6-trimethylbenzene nitrate hexafluorophosphate
• Formula: C27 H27 F6 I3 N5 O6 P
• Calculated formula: C27 H27 F6 I3 N5 O6 P
• Title of publication: Novel hydrogen- and halogen-bonding anion receptors based on 3-iodopyridinium units
• Authors of publication: Amendola, Valeria; Bergamaschi, Greta; Boiocchi, Massimo; Fusco, Nadia; La Rocca, Mario Vincenzo; Linati, Laura; Lo Presti, Eliana; Mella, Massimo; Metrangolo, Pierangelo; Miljkovic, Ana
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 11.352 ± 0.002 Å
• b: 13.844 ± 0.003 Å
• c: 14.366 ± 0.003 Å
• α: 118.339 ± 0.004°
• β: 101.442 ± 0.004°
• γ: 99.631 ± 0.004°
• Cell volume: 1856 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0926
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.2343
• Weighted residual factors for all reflections included in the refinement: 0.2561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No