Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7223180
Preview
| Coordinates | 7223180.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H26.2 Cd N7 O8.6 |
|---|---|
| Calculated formula | C18 H12 Cd N6 O4 |
| Title of publication | A series of Zn(ii) and Cd(ii) coordination compounds based on 4-(4H-1,2,4-triazol-4-yl)benzoic acid: synthesis, structure and photoluminescence properties |
| Authors of publication | Yang, Li-Bo; Wang, Hong-Can; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Zhu, Ai-Xin; Yang, Zhi |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 1 |
| Pages of publication | 130 |
| a | 8.3848 ± 0.0017 Å |
| b | 14.808 ± 0.003 Å |
| c | 11.494 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1427.1 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 30 |
| Hermann-Mauguin space group symbol | P n c 2 |
| Hall space group symbol | P 2 -2bc |
| Residual factor for all reflections | 0.0312 |
| Residual factor for significantly intense reflections | 0.0284 |
| Weighted residual factors for significantly intense reflections | 0.0763 |
| Weighted residual factors for all reflections included in the refinement | 0.0779 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7223180.cif |
| 175976 | 2016-02-05 | cif/ Updating files of 7223177, 7223178, 7223179, 7223180, 7223181, 7223182, 7223183 Original log message: Adding full bibliography for 7223177--7223183.cif. |
7223180.cif |
| 170227 | 2015-11-12 | cif/ Adding structures of 7223177, 7223178, 7223179, 7223180, 7223181, 7223182, 7223183 via cif-deposit CGI script. |
7223180.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.