Information card for entry 2023540

Structure parameters

• Chemical name: Bis{ethyl 2-[1-methyl-3-(pyridin-2-yl)-1<i>H</i>-1,2,4-triazol-5-yl]acetate}trinitratolanthanum(III)
• Formula: C24 H28 La N11 O13
• Calculated formula: C24 H28 La N11 O13
• Title of publication: Crystal structure and supramolecular features of bis{ethyl 2-[1-methyl-3-(pyridin-2-yl)-1H-1,2,4-triazol-5-yl]acetate}trinitratolanthanum(III)
• Authors of publication: Halushchenko, Valeriia; Korovin, Oleksandr; Rusakova, Natalya; Dyakonenko, Viktoriya; Khomenko, Dmytro; Lampeka, Rostyslav; Smola, Serhii
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: 7
• a: 20.9094 ± 0.0015 Å
• b: 9.0361 ± 0.0005 Å
• c: 19.3753 ± 0.0013 Å
• α: 90°
• β: 122.36 ± 0.008°
• γ: 90°
• Cell volume: 3092.2 ± 0.4 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.0617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No