Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7245703
Preview
| Coordinates | 7245703.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C108 H108 N6 O60 S6 U6 |
|---|---|
| Calculated formula | C108 H96 N6 O60 S6 U6 |
| Title of publication | Varied role of organic carboxylate dizwitterions and anionic donors in mixed-ligand uranyl ion coordination polymers |
| Authors of publication | Kusumoto, Sotaro; Atoini, Youssef; Masuda, Shunya; Koide, Yoshihiro; Kim, Jee Young; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 13.2023 ± 0.0007 Å |
| b | 31.6383 ± 0.0017 Å |
| c | 15.1219 ± 0.0008 Å |
| α | 90° |
| β | 97.7928 ± 0.0016° |
| γ | 90° |
| Cell volume | 6258.1 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 for all reflections | 0.0707 |
| Residual factor for significantly intense reflections | 0.0643 |
| Weighted residual factors for significantly intense reflections | 0.1598 |
| Weighted residual factors for all reflections included in the refinement | 0.1634 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.175 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278717 (current) | 2022-10-22 | cif/ Adding structures of 7245701, 7245702, 7245703, 7245704, 7245705 via cif-deposit CGI script. |
7245703.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.