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