Information card for entry 7251919

Structure parameters

• Formula: C36 H48 N16 O12 U2
• Calculated formula: C36 H48 N16 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: 8.7756 ± 0.0004 Å
• b: 12.527 ± 0.0007 Å
• c: 21.5024 ± 0.001 Å
• α: 101.918 ± 0.004°
• β: 98.113 ± 0.004°
• γ: 93.752 ± 0.004°
• Cell volume: 2278.8 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0668
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No