Information card for entry 2023555

Structure parameters

• Chemical name: Hydronium μ-hydroxido-μ-isobutyrato-bis[diaquaberyllium(II)] tris[triisobutyratodioxidouranium(VI)] dihydrate
• Formula: C40 H86 Be2 O34 U3
• Calculated formula: C40 H86 Be2 O34 U3
• 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: 16.583 ± 0.011 Å
• b: 16.583 ± 0.011 Å
• c: 41.67 ± 0.05 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9924 ± 15 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes