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Information card for entry 2023254
Preview
| Coordinates | 2023254.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Poly[ethanol(μ-4-methylpyridine <i>N</i>-oxide)di-μ-thiocyanato-cobalt(II)] |
|---|---|
| Formula | C10 H13 Co N3 O2 S2 |
| Calculated formula | C10 H13 Co N3 O2 S2 |
| Title of publication | Synthesis and crystal structure of poly[ethanol(μ-4-methylpyridine N-oxide)di-μ-thiocyanato-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 | 10 |
| a | 11.67627 ± 0.00007 Å |
| b | 11.61861 ± 0.00006 Å |
| c | 10.60662 ± 0.00007 Å |
| α | 90° |
| β | 107.593 ± 0.0007° |
| γ | 90° |
| Cell volume | 1371.61 ± 0.015 Å3 |
| Cell temperature | 99.99 ± 0.1 K |
| Ambient diffraction temperature | 99.99 ± 0.1 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 | 0.0223 |
| Residual factor for significantly intense reflections | 0.0221 |
| Weighted residual factors for significantly intense reflections | 0.0581 |
| Weighted residual factors for all reflections included in the refinement | 0.0582 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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