Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7230959
Preview
| Coordinates | 7230959.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H20 Cl4 O14 U2 |
|---|---|
| Calculated formula | C28 H20 Cl4 O14 U2 |
| 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 | 18.391 ± 0.008 Å |
| b | 8.604 ± 0.005 Å |
| c | 10.512 ± 0.007 Å |
| α | 90° |
| β | 90.911 ± 0.006° |
| γ | 90° |
| Cell volume | 1663.2 ± 1.6 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 | 0.0349 |
| Residual factor for significantly intense reflections | 0.0246 |
| Weighted residual factors for significantly intense reflections | 0.0555 |
| Weighted residual factors for all reflections included in the refinement | 0.058 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| 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 |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7230959.cif |
| 229137 | 2019-11-17 | cif/ Updating files of 7230956, 7230957, 7230958, 7230959 Original log message: Adding full bibliography for 7230956--7230959.cif. |
7230959.cif |
| 208548 | 2018-06-20 | cif/ Adding structures of 7230956, 7230957, 7230958, 7230959 via cif-deposit CGI script. |
7230959.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.