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Information card for entry 2023335
Preview
| Coordinates | 2023335.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Tetraaquabis{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetato-κ<i>O</i>}cobalt(II) |
|---|---|
| Formula | C10 H18 Co N4 O8 S4 |
| Calculated formula | C10 H18 Co N4 O8 S4 |
| Title of publication | Synthesis, crystal structure, Hirshfeld surface analysis and DFT calculations of the coordination compound tetraaquabis{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetato-κO}cobalt(II) |
| Authors of publication | Kinshakova, Ekaterina; Torambetov, Batirbay; Kaur, Simranjeet; Ashurov, Jamshid; Kadirova, Shakhnoza |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2025 |
| Journal volume | 81 |
| Journal issue | 1 |
| a | 5.195 ± 0.0002 Å |
| b | 10.0347 ± 0.0003 Å |
| c | 18.909 ± 0.0006 Å |
| α | 90° |
| β | 91.892 ± 0.003° |
| γ | 90° |
| Cell volume | 985.19 ± 0.06 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.045 |
| Residual factor for significantly intense reflections | 0.0376 |
| Weighted residual factors for significantly intense reflections | 0.0911 |
| Weighted residual factors for all reflections included in the refinement | 0.0984 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296911 (current) | 2024-12-18 | cif/ Adding structures of 2023335 via cif-deposit CGI script. |
2023335.cif |
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Users of the data should acknowledge the original authors of the
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