Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2312418
Preview
| Coordinates | 2312418.cif |
|---|---|
| Structure factors | 2312418.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[{μ~2~-bis[4-(2-methyl-1<i>H</i>-imidazol-1-yl)phenyl]methanone-κ^2^<i>N</i>^3^:<i>N</i>^3'^}(μ~2~-5-bromobenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^)zinc(II)] |
|---|---|
| Formula | C29 H21 Br N4 O5 Zn |
| Calculated formula | C29 H21 Br N4 O5 Zn |
| Title of publication | A twofold interpenetrated two-dimensional zinc(II) coordination polymer for the highly sensitive detection of nitrofurantoin in aqueous medium. |
| Authors of publication | Wang, Yan; Cheng, Wei Wei; Mou, Yi; Wen, Shuai; Wang, Dongkai; Xue, Yun Shan |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 4 |
| a | 9.73 ± 0.005 Å |
| b | 16.52 ± 0.009 Å |
| c | 17.649 ± 0.01 Å |
| α | 90° |
| β | 103.19 ± 0.02° |
| γ | 90° |
| Cell volume | 2762 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0436 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.0971 |
| Weighted residual factors for all reflections included in the refinement | 0.1004 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290474 (current) | 2024-03-13 | cif/ hkl/ Adding structures of 2312418 via cif-deposit CGI script. |
2312418.cif 2312418.hkl |
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.