Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7056859
Preview
| Coordinates | 7056859.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H22 N4 O10 S2 U2 |
|---|---|
| Calculated formula | C30 H22 N4 O10 S2 U2 |
| SMILES | c1cccc(c2cccc[n]2[U]23(=O)(=O)([O]4[O]2[U]24([n]4c(c5ccccn5)cccc4)(=O)(=O)[O]=C(O2)c2sccc2)OC(=[O]3)c2cccs2)n1 |
| Title of publication | Synthesis, structural analysis, and supramolecular assembly of a series of in situ generated uranyl–peroxide complexes with functionalized 2,2′-bipyridine and varied carboxylic acid ligands |
| Authors of publication | Ridenour, J. August; Cahill, Christopher L. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2018 |
| Journal volume | 42 |
| Journal issue | 3 |
| Pages of publication | 1816 |
| a | 13.883 ± 0.004 Å |
| b | 9.735 ± 0.003 Å |
| c | 23.617 ± 0.007 Å |
| α | 90° |
| β | 96.254 ± 0.005° |
| γ | 90° |
| Cell volume | 3172.9 ± 1.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0703 |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for significantly intense reflections | 0.079 |
| Weighted residual factors for all reflections included in the refinement | 0.0847 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.147 |
| 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 |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7056859.cif |
| 230561 | 2019-11-17 | cif/ Updating files of 7056854, 7056855, 7056856, 7056857, 7056858, 7056859, 7056860, 7056861 Original log message: Adding full bibliography for 7056854--7056861.cif. |
7056859.cif |
| 204565 | 2017-12-28 | cif/ Adding structures of 7056854, 7056855, 7056856, 7056857, 7056858, 7056859, 7056860, 7056861 via cif-deposit CGI script. |
7056859.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.