Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2022486
Preview
| Coordinates | 2022486.cif |
|---|---|
| Structure factors | 2022486.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[aqua[μ~3~-2-(4-carboxyphenoxy)terephthalato-κ^3^<i>O</i>^1^:<i>O</i>^4^:<i>O</i>^4'^](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')nickel(II)] |
|---|---|
| Formula | C27 H18 N2 Ni O8 |
| Calculated formula | C27 H18 N2 Ni O8 |
| Title of publication | Syntheses, structures and magnetic properties of two Co^II^/Ni^II^ isostructural coordination polymers based on an asymmetric semirigid tricarboxylate ligand |
| Authors of publication | Li, Shao-Dong; Su, Feng; Zhou, Cheng-Yong; Hu, Qi-Long; Li, Ya-Qi; Wang, Zhi-Jun |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 1 |
| a | 11.6277 ± 0.0008 Å |
| b | 20.8495 ± 0.0014 Å |
| c | 11.0075 ± 0.0009 Å |
| α | 90° |
| β | 113.689 ± 0.002° |
| γ | 90° |
| Cell volume | 2443.7 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1464 |
| Residual factor for significantly intense reflections | 0.0694 |
| Weighted residual factors for significantly intense reflections | 0.1313 |
| Weighted residual factors for all reflections included in the refinement | 0.1574 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271339 (current) | 2021-12-11 | cif/ hkl/ Adding structures of 2022485, 2022486 via cif-deposit CGI script. |
2022486.cif 2022486.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.