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Information card for entry 2023555
Preview
| Coordinates | 2023555.cif |
|---|---|
| Structure factors | 2023555.hkl |
| Original IUCr paper | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306863 (current) | 2026-09-04 | cif/ hkl/ Adding structures of 2023555, 2023556, 2023557 via cif-deposit CGI script. |
2023555.cif 2023555.hkl |
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Users of the data should acknowledge the original authors of the
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