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Information card for entry 7230957
Preview
| Coordinates | 7230957.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H8 Br2 O6 U |
|---|---|
| Calculated formula | C14 H8 Br2 O6 U |
| Title of publication | Probing hydrogen and halogen-oxo interactions in uranyl coordination polymers: a combined crystallographic and computational study |
| Authors of publication | Carter, Korey P.; Kalaj, Mark; Kerridge, Andrew; Cahill, Christopher L. |
| Journal of publication | CrystEngComm |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 34 |
| Pages of publication | 4916 |
| a | 5.1074 ± 0.0004 Å |
| b | 17.6516 ± 0.0015 Å |
| c | 9.0688 ± 0.0008 Å |
| α | 90° |
| β | 94.061 ± 0.009° |
| γ | 90° |
| Cell volume | 815.53 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0325 |
| Residual factor for significantly intense reflections | 0.0223 |
| Weighted residual factors for significantly intense reflections | 0.0478 |
| Weighted residual factors for all reflections included in the refinement | 0.0512 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 229137 (current) | 2019-11-17 | cif/ Updating files of 7230956, 7230957, 7230958, 7230959 Original log message: Adding full bibliography for 7230956--7230959.cif. |
7230957.cif |
| 208548 | 2018-06-20 | cif/ Adding structures of 7230956, 7230957, 7230958, 7230959 via cif-deposit CGI script. |
7230957.cif |
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Users of the data should acknowledge the original authors of the
structural data.