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Information card for entry 2108786
Preview
| Coordinates | 2108786.cif |
|---|---|
| Structure factors | 2108786.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(μ-1-methyl-3-oxidopyridinium-4-carboxylato)bis[aqua(1-methyl-3-oxidopyridinium-4-carboxylato)zinc(II)] tetrahydrate' |
|---|---|
| Formula | C28 H36 N4 O18 Zn2 |
| Calculated formula | C28 H36 N4 O18 Zn2 |
| Title of publication | Crystal structures of zinc(II) complexes with β-hydroxypyridinecarboxylate ligands: examples of structure-directing effects used in inorganic crystal engineering |
| Authors of publication | May, Nóra Veronika; Nys, Kevin; Ching, H. Y. Vincent; Bereczki, Laura; Holczbauer, Tamás; Di Marco, Valerio B.; Bombicz, Petra |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 2 |
| a | 7.9237 ± 0.0005 Å |
| b | 8.574 ± 0.0005 Å |
| c | 12.3954 ± 0.0008 Å |
| α | 84.248 ± 0.002° |
| β | 74.706 ± 0.002° |
| γ | 85.908 ± 0.002° |
| Cell volume | 807.32 ± 0.09 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 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 | 0.0261 |
| Residual factor for significantly intense reflections | 0.0244 |
| Weighted residual factors for significantly intense reflections | 0.0607 |
| Weighted residual factors for all reflections included in the refinement | 0.0632 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 262344 (current) | 2021-03-02 | cif/ hkl/ Adding structures of 2108783, 2108784, 2108785, 2108786 via cif-deposit CGI script. |
2108786.cif 2108786.hkl |
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Users of the data should acknowledge the original authors of the
structural data.