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Information card for entry 2023083
Preview
| Coordinates | 2023083.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Tris(2-methylpyridine <i>N</i>-oxide-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II) |
|---|---|
| Formula | C20 H21 Co N5 O3 S2 |
| Calculated formula | C20 H21 Co N5 O3 S2 |
| Title of publication | Synthesis, crystal structure and properties of the trigonal–bipyramidal complex tris(2-methylpyridine N-oxide-κO)bis(thiocyanato-κN)cobalt(II) |
| Authors of publication | Näther, Christian; Jess, Inke |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 5 |
| a | 11.902 ± 0.0002 Å |
| b | 26.4007 ± 0.0002 Å |
| c | 7.1933 ± 0.0001 Å |
| α | 90° |
| β | 104.299 ± 0.001° |
| γ | 90° |
| Cell volume | 2190.26 ± 0.05 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0334 |
| Residual factor for significantly intense reflections | 0.0331 |
| Weighted residual factors for significantly intense reflections | 0.0887 |
| Weighted residual factors for all reflections included in the refinement | 0.089 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| 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 |
|---|---|---|---|
| 291226 (current) | 2024-04-16 | cif/ Adding structures of 2023083 via cif-deposit CGI script. |
2023083.cif |
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