Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7250838
Preview
| Coordinates | 7250838.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H7 F12 Mn N O5 |
|---|---|
| Calculated formula | C12 H7 F12 Mn N O5 |
| Title of publication | Mn(ii) betadiketonates: structural diversity from deceptively minor alterations to synthetic protocols |
| Authors of publication | Ibrahim, Mukaila A.; Boeré, René T.; Preuss, Kathryn E. |
| Journal of publication | RSC Advances |
| Year of publication | 2025 |
| Journal volume | 15 |
| Journal issue | 39 |
| Pages of publication | 32299 - 32308 |
| a | 9.1029 ± 0.0003 Å |
| b | 21.7344 ± 0.0006 Å |
| c | 9.0051 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1781.62 ± 0.1 Å3 |
| Cell temperature | 100 ± 0.2 K |
| Ambient diffraction temperature | 100 ± 0.2 K |
| Number of distinct elements | 6 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0843 |
| Residual factor for significantly intense reflections | 0.0766 |
| Weighted residual factors for significantly intense reflections | 0.1783 |
| Weighted residual factors for all reflections included in the refinement | 0.182 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302061 (current) | 2025-09-09 | cif/ Adding structures of 7250837, 7250838, 7250839, 7250840, 7250841, 7250842, 7250843, 7250844 via cif-deposit CGI script. |
7250838.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.