Information card for entry 7251710

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: 6.056 ± 0.0001 Å
• b: 7.0511 ± 0.0002 Å
• c: 17.9759 ± 0.0004 Å
• α: 97.546 ± 0.002°
• β: 92.942 ± 0.002°
• γ: 97.561 ± 0.002°
• Cell volume: 752.49 ± 0.03 ų
• Cell temperature: 299 ± 1 K
• Ambient diffraction temperature: 299 ± 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: 0.054
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No