Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7241748
Preview
| Coordinates | 7241748.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | CUST-531 |
|---|---|
| Formula | C25 H21 Cd N4 O5 |
| Calculated formula | C25 H21 Cd N4 O5 |
| Title of publication | 2D luminescent metal‒organic framework: efficient and highly selective detection of 2,4,6-trinitrophenol at the ppb level |
| Authors of publication | Fan, Ming Yue; Fu, Peng; Li, Jiao; Su, Zhong Min; Li, Xiao; Pan, Qing Qing; Hu, Xiao Li |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 4 |
| Pages of publication | 929 - 934 |
| a | 12.46 ± 0.014 Å |
| b | 10.231 ± 0.01 Å |
| c | 18.54 ± 0.02 Å |
| α | 90° |
| β | 92.34 ± 0.02° |
| γ | 90° |
| Cell volume | 2361 ± 4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 5 |
| 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 | 0.0891 |
| Residual factor for significantly intense reflections | 0.0566 |
| Weighted residual factors for significantly intense reflections | 0.1465 |
| Weighted residual factors for all reflections included in the refinement | 0.1673 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 261605 (current) | 2021-02-05 | cif/ Updating files of 7241748 Original log message: Adding full bibliography for 7241748.cif. |
7241748.cif |
| 259735 | 2020-12-10 | cif/ Adding structures of 7241748 via cif-deposit CGI script. |
7241748.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.