Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2021707
Preview
| Coordinates | 2021707.cif |
|---|---|
| Structure factors | 2021707.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[(μ~3~-1-amino-5-carboxybenzene-3,4-dicarboxylato)diaquacadmium(II)] |
|---|---|
| Formula | C9 H9 Cd N O8 |
| Calculated formula | C9 H9 Cd N O8 |
| Title of publication | Two new Cd^II^ and Zn^II^ coordination polymers incorporating 1-aminobenzene-3,4,5-tricarboxylic acid: synthesis, crystal structure and characterization |
| Authors of publication | Shao, Zhi-Chao; Meng, Xiang-Ru; Hou, Hong-Wei |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 8 |
| a | 7.0872 ± 0.0007 Å |
| b | 8.4024 ± 0.0009 Å |
| c | 17.4973 ± 0.0017 Å |
| α | 90° |
| β | 93.608 ± 0.003° |
| γ | 90° |
| Cell volume | 1039.89 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0185 |
| Residual factor for significantly intense reflections | 0.0166 |
| Weighted residual factors for significantly intense reflections | 0.0462 |
| Weighted residual factors for all reflections included in the refinement | 0.0472 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216791 (current) | 2019-07-06 | cif/ hkl/ Adding structures of 2021707, 2021708 via cif-deposit CGI script. |
2021707.cif 2021707.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.