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Information card for entry 7225093
Preview
| Coordinates | 7225093.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H4 Br K N2 O3 |
|---|---|
| Calculated formula | C4 H4 Br K N2 O3 |
| Title of publication | From isomorphous to “anisomorphous” ionic co-crystals of barbituric acid upon dehydration and return |
| Authors of publication | Maini, L.; Braga, D.; Grepioni, F.; Lampronti, G. I.; Gaglioti, K.; Gobetto, R.; Chierotti, M. R. |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 24 |
| Pages of publication | 4651 |
| a | 13.3233 ± 0.0005 Å |
| b | 7.3226 ± 0.0002 Å |
| c | 8.0133 ± 0.0003 Å |
| α | 90° |
| β | 97.8638 ± 0.0009° |
| γ | 90° |
| Cell volume | 774.44 ± 0.05 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor R(I) for significantly intense reflections | 0.0115 |
| Goodness-of-fit parameter for all reflections | 2.09046 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5406 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 185220 (current) | 2016-08-07 | cif/ Updating files of 7225093, 7225094, 7225095 Original log message: Adding full bibliography for 7225093--7225095.cif. |
7225093.cif |
| 182576 | 2016-05-05 | cif/ Adding structures of 7225093, 7225094, 7225095 via cif-deposit CGI script. |
7225093.cif |
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Users of the data should acknowledge the original authors of the
structural data.