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Information card for entry 2023145
Preview
| Coordinates | 2023145.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Diisothiocyanatotetrakis(4-methylpyridine)cobalt(II) |
|---|---|
| Formula | C26 H28 Co N6 S2 |
| Calculated formula | C26 H28 Co N6 S2 |
| Title of publication | Synthesis, crystal structure and thermal properties of a new polymorphic modification of diisothiocyanatotetrakis(4-methylpyridine)cobalt(II) |
| Authors of publication | Näther, Christian; Jochim, Aleksej |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 6 |
| Pages of publication | 677 - 681 |
| a | 19.0089 ± 0.0007 Å |
| b | 9.7403 ± 0.0003 Å |
| c | 16.7516 ± 0.0006 Å |
| α | 90° |
| β | 113.37 ± 0.003° |
| γ | 90° |
| Cell volume | 2847.15 ± 0.18 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0661 |
| Residual factor for significantly intense reflections | 0.0579 |
| Weighted residual factors for significantly intense reflections | 0.1592 |
| Weighted residual factors for all reflections included in the refinement | 0.1638 |
| 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 | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 292157 (current) | 2024-06-01 | cif/ Adding structures of 2023145 via cif-deposit CGI script. |
2023145.cif |
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