Information card for entry 2023557

Structure parameters

• Chemical name: Poly[pentaaquatetracosa-μ-crotonato-hexadeca-μ-oxido-tetrabarium(II)\ octauranium(VI)]
• Formula: C48 H65 Ba2 O34.5 U4
• Calculated formula: C48 H65 Ba2 O34.5 U4
• Title of publication: Uranyl derivatives: discovering features by comparing related crystal structures
• Authors of publication: Pirozhkov, Pavel A.; Yusupova, Maria V.; Vologzhanina, Anna V.; Dorovatovskii, Pavel V.; Savchenkov, Anton V.
• Journal of publication: Acta Crystallographica Section C Structural Chemistry
• Year of publication: 2026
• Journal volume: 82
• Journal issue: 10
• a: 13 ± 0.003 Å
• b: 22.21 ± 0.004 Å
• c: 27.97 ± 0.006 Å
• α: 106.11 ± 0.03°
• β: 97.75 ± 0.03°
• γ: 103.67 ± 0.03°
• Cell volume: 7363 ± 3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1607
• Residual factor for significantly intense reflections: 0.0986
• Weighted residual factors for significantly intense reflections: 0.186
• Weighted residual factors for all reflections included in the refinement: 0.21
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.7527 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes