Information card for entry 7251709

Structure parameters

• Chemical name: 2-(triimidazo[1,2-a:1',2'-c:1'',2''-e][1,3,5]triazin-3-yl)pyridin-1-ium
• Formula: C14 H12 N8 O4
• Calculated formula: C14 H12 N8 O4
• Title of publication: Intra- and intermolecular H-bonds and π-π stacking driven organization of a triazine-based room temperature phosphorescent emitter.
• Authors of publication: Malpicci, Daniele; Lucenti, Elena; Zecchinello, Luca; Marinotto, Daniele; Cariati, Elena; Forni, Alessandra
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2026
• Journal volume: 28
• Journal issue: 4
• Pages of publication: 3016 - 3022
• a: 6.0405 ± 0.0001 Å
• b: 6.9516 ± 0.0001 Å
• c: 17.9256 ± 0.0003 Å
• α: 98.474 ± 0.001°
• β: 92.272 ± 0.001°
• γ: 97.528 ± 0.001°
• Cell volume: 736.75 ± 0.02 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No