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Information card for entry 2022223
Preview
| Coordinates | 2022223.cif |
|---|---|
| Structure factors | 2022223.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[diaquatris[μ~2~-1,4-bis(1<i>H</i>-imidazol-1-yl)benzene]bis[μ~6~-4-(2,4-dicarboxylatophenoxy)phthalato]tetracobalt(II)] hexahydrate] |
|---|---|
| Formula | C68 H58 Co4 N12 O26 |
| Calculated formula | C68 H58 Co4 N12 O26 |
| Title of publication | A novel three-dimensional tetranuclear Co^II^ coordination polymer with water hexamers based on the V-shaped tetracarboxylate ligand 4-(2,4-dicarboxylatophenoxy)phthalate |
| Authors of publication | Li, Shao-Dong; Su, Feng; Zhu, Miao-Li; Lu, Li-Ping |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 9 |
| a | 10.66 ± 0.002 Å |
| b | 12.24 ± 0.002 Å |
| c | 14.649 ± 0.003 Å |
| α | 109.48 ± 0.03° |
| β | 107.32 ± 0.03° |
| γ | 98.87 ± 0.03° |
| Cell volume | 1650.6 ± 0.8 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0496 |
| Residual factor for significantly intense reflections | 0.0365 |
| Weighted residual factors for significantly intense reflections | 0.0866 |
| Weighted residual factors for all reflections included in the refinement | 0.0927 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255205 (current) | 2020-08-08 | cif/ hkl/ Adding structures of 2022223 via cif-deposit CGI script. |
2022223.cif 2022223.hkl |
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Users of the data should acknowledge the original authors of the
structural data.