Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2022085
Preview
| Coordinates | 2022085.cif |
|---|---|
| Structure factors | 2022085.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[tris[μ~2~-1,4-bis(1<i>H</i>-imidazol-1-yl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]bis[μ~3~-5-(hydroxymethyl)isophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^]dicobalt(II)] |
|---|---|
| Formula | C54 H42 Co2 N12 O10 |
| Calculated formula | C54 H42 Co2 N12 O10 |
| Title of publication | 3D semiconducting Co‒MOFs based on 5-(hydroxymethyl)isophthalic acid and imidazole derivatives: syntheses and crystal structures |
| Authors of publication | Xu, Zhong-Xuan; Ou, Chun-Yan; Zhang, Chun-Xue |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 5 |
| a | 8.0331 ± 0.0004 Å |
| b | 17.6045 ± 0.0011 Å |
| c | 17.6523 ± 0.0009 Å |
| α | 90° |
| β | 98.077 ± 0.004° |
| γ | 90° |
| Cell volume | 2471.6 ± 0.2 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 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 | 0.0628 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.085 |
| Weighted residual factors for all reflections included in the refinement | 0.0966 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 250919 (current) | 2020-04-18 | cif/ hkl/ Adding structures of 2022084, 2022085 via cif-deposit CGI script. |
2022085.cif 2022085.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.