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Information card for entry 2022733
Preview
| Coordinates | 2022733.cif |
|---|---|
| Structure factors | 2022733.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(isoselenocyanato-κ<i>N</i>)tetrakis(4-methoxypyridine-κ<i>N</i>)cobalt(II) |
|---|---|
| Formula | C26 H28 Co N6 O4 Se2 |
| Calculated formula | C26 H28 Co N6 O4 Se2 |
| SMILES | [Co](N=C=[Se])(N=C=[Se])([n]1ccc(cc1)OC)([n]1ccc(cc1)OC)([n]1ccc(cc1)OC)[n]1ccc(cc1)OC |
| Title of publication | Synthesis, crystal structure and properties of bis(isoselenocyanato-κN)tetrakis(4-methoxypyridine-κN)cobalt(II) |
| Authors of publication | Näther, Christian; Jess, Inke |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 3 |
| Pages of publication | 216 - 220 |
| a | 10.0531 ± 0.0002 Å |
| b | 17.3479 ± 0.0004 Å |
| c | 34.3141 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5984.4 ± 0.2 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.0452 |
| Residual factor for significantly intense reflections | 0.0376 |
| Weighted residual factors for significantly intense reflections | 0.0834 |
| Weighted residual factors for all reflections included in the refinement | 0.0871 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282431 (current) | 2023-04-05 | cif/ hkl/ Adding structures of 2022733 via cif-deposit CGI script. |
2022733.cif 2022733.hkl |
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Users of the data should acknowledge the original authors of the
structural data.