Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1544043
Preview
| Coordinates | 1544043.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H13 Ca N O6 S |
|---|---|
| Calculated formula | C10 H13 Ca N O6 S |
| Title of publication | A regenerative metal‒organic framework for reversible uptake of Cd(ii): from effective adsorption to in situ detection |
| Authors of publication | Xue, Hui; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Lv, Guangxun; Liang, Linfeng; Liu, Luyao; Hong, Maochun |
| Journal of publication | Chem. Sci. |
| Year of publication | 2016 |
| Journal volume | 7 |
| Journal issue | 9 |
| Pages of publication | 5983 |
| a | 6.5562 ± 0.0002 Å |
| b | 10.6424 ± 0.0005 Å |
| c | 18.2951 ± 0.0006 Å |
| α | 90° |
| β | 98.07 ± 0.003° |
| γ | 90° |
| Cell volume | 1263.88 ± 0.08 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 | 0.0473 |
| Residual factor for significantly intense reflections | 0.0345 |
| Weighted residual factors for significantly intense reflections | 0.0692 |
| Weighted residual factors for all reflections included in the refinement | 0.0777 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186283 (current) | 2016-09-08 | cif/ Adding structures of 1544042, 1544043 via cif-deposit CGI script. |
1544043.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.