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Information card for entry 2022084
Preview
| Coordinates | 2022084.cif |
|---|---|
| Structure factors | 2022084.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[μ~2~-1,4-bis(2-methyl-1<i>H</i>-imidazol-1-yl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^][μ~2~-5-(hydroxymethyl)isophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^]cobalt(II)] |
|---|---|
| Formula | C23 H20 Co N4 O5 |
| Calculated formula | C23 H20 Co N4 O5 |
| 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 | 17.1976 ± 0.001 Å |
| b | 16.7629 ± 0.0009 Å |
| c | 16.3162 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4703.7 ± 0.5 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 5 |
| Space group number | 73 |
| Hermann-Mauguin space group symbol | I b c a |
| Hall space group symbol | -I 2b 2c |
| Residual factor for all reflections | 0.0404 |
| Residual factor for significantly intense reflections | 0.0316 |
| Weighted residual factors for significantly intense reflections | 0.0921 |
| Weighted residual factors for all reflections included in the refinement | 0.0964 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 250919 (current) | 2020-04-18 | cif/ hkl/ Adding structures of 2022084, 2022085 via cif-deposit CGI script. |
2022084.cif 2022084.hkl |
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Users of the data should acknowledge the original authors of the
structural data.