Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4133773
Preview
| Coordinates | 4133773.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Fe3.5 K2.75 Li Na1.25 O128.33 P5 W30 |
|---|---|
| Calculated formula | Fe3.5 K2.75 Li Na1.25 O128.333 P5 W30 |
| Title of publication | Tunable Metal Oxide Frameworks via Coordination Assembly of Preyssler-Type Molecular Clusters. |
| Authors of publication | Chen, Linfeng; San, Khin A.; Turo, Michael J.; Gembicky, Milan; Fereidouni, Shelir; Kalaj, Mark; Schimpf, Alina M. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| a | 52.178 ± 0.003 Å |
| b | 21.6024 ± 0.0012 Å |
| c | 26.1423 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 29467 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| Space group number | 74 |
| Hermann-Mauguin space group symbol | I m m a |
| Hall space group symbol | -I 2b 2 |
| Residual factor for all reflections | 0.1181 |
| Residual factor for significantly intense reflections | 0.0722 |
| Weighted residual factors for significantly intense reflections | 0.1579 |
| Weighted residual factors for all reflections included in the refinement | 0.1784 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 245118 (current) | 2019-12-14 | cif/ Adding structures of 4133773 via cif-deposit CGI script. |
4133773.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.