Information card for entry 7251918

Structure parameters

• Formula: C22 H30 N6 O12 U2
• Calculated formula: C22 H30 N6 O12 U2
• Title of publication: Novel hydroxyl-functionalized 1,2,4-triazole-based oligomers: synthetic approach, photoluminescence and coordination behaviour as uranyl chelators
• Authors of publication: Khomenko, Dmytro M.; Vashchenko, Oleksandr V.; Doroshchuk, Roman O.; Starova, Viktoriya S.; Hreben, Mariia; Bukhanko, Valerii; Yatsymyrskyi, Andrii; Shova, Sergiu; Vassilyeva, Olga; Lampeka, Rostyslav
• Journal of publication: CrystEngComm
• Year of publication: 2026
• a: 9.0072 ± 0.0002 Å
• b: 9.8232 ± 0.0003 Å
• c: 9.9267 ± 0.0003 Å
• α: 97.77 ± 0.002°
• β: 111.665 ± 0.002°
• γ: 107.395 ± 0.002°
• Cell volume: 748.48 ± 0.04 ų
• Cell temperature: 199.9 ± 0.3 K
• Ambient diffraction temperature: 199.9 ± 0.3 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0182
• Residual factor for significantly intense reflections: 0.0166
• Weighted residual factors for significantly intense reflections: 0.0404
• Weighted residual factors for all reflections included in the refinement: 0.041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No