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Information card for entry 2203576
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| Coordinates | 2203576.cif |
|---|---|
| Structure factors | 2203576.hkl |
| Original IUCr paper | HTML |
| Formula | C9 H12 N4 Ni O6 S2 |
|---|---|
| Calculated formula | C9 H12 N4 Ni O6 S2 |
| SMILES | [Ni]12(OC(=O)CC(=O)O1)([OH2])([OH2])[n]1c(scc1c1[n]2c(sc1)N)N |
| Title of publication | Diaqua(2,2'-diamino-4,4'-bi-1,3-thiazole)(malonato)nickel(II) |
| Authors of publication | Jia-Geng Liu; Duan-Jun Xu |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 5 |
| Pages of publication | m541 - m543 |
| a | 11.0826 ± 0.0003 Å |
| b | 12.1879 ± 0.0003 Å |
| c | 20.7505 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2802.85 ± 0.12 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.027 |
| Residual factor for significantly intense reflections | 0.024 |
| Weighted residual factors for significantly intense reflections | 0.058 |
| Weighted residual factors for all reflections included in the refinement | 0.059 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|
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Users of the data should acknowledge the original authors of the
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