Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7125609
Preview
| Coordinates | 7125609.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H13 Mn N O5 |
|---|---|
| Calculated formula | C12 H13 Mn N O5 |
| Title of publication | Reversible crystal-to-amorphous-to-crystal phase transition and a large magnetocaloric effect in a spongelike metal organic framework material. |
| Authors of publication | Tian, Chong-Bin; Chen, Rui-Ping; He, Chao; Li, Wei-Jin; Wei, Qi; Zhang, Xu-Dong; Du, Shao-Wu |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2014 |
| Journal volume | 50 |
| Journal issue | 15 |
| Pages of publication | 1915 - 1917 |
| a | 7.491 ± 0.003 Å |
| b | 15.386 ± 0.006 Å |
| c | 11.226 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1293.9 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0335 |
| Residual factor for significantly intense reflections | 0.0328 |
| Weighted residual factors for significantly intense reflections | 0.0839 |
| Weighted residual factors for all reflections included in the refinement | 0.0848 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244391 (current) | 2019-11-28 | cif/ Adding structures of 7125609 via cif-deposit CGI script. |
7125609.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.