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Information card for entry 2022855
Preview
| Coordinates | 2022855.cif |
|---|---|
| Structure factors | 2022855.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetrakis(3-cyanopyridine <i>N</i>-oxide-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)\ cobalt(II) |
|---|---|
| Formula | C26 H16 Co N10 O4 S2 |
| Calculated formula | C26 H16 Co N10 O4 S2 |
| Title of publication | Synthesis, crystal structure and thermal behavior of tetrakis(3-cyanopyridine N-oxide-κO)bis(thiocyanato-κN)cobalt(II), which shows strong pseudosymmetry |
| 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 | 10 |
| a | 6.5899 ± 0.0001 Å |
| b | 17.9658 ± 0.0002 Å |
| c | 11.9444 ± 0.0001 Å |
| α | 90° |
| β | 96.131 ± 0.001° |
| γ | 90° |
| Cell volume | 1406.04 ± 0.03 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0278 |
| Residual factor for significantly intense reflections | 0.0266 |
| Weighted residual factors for significantly intense reflections | 0.0819 |
| Weighted residual factors for all reflections included in the refinement | 0.0827 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286284 (current) | 2023-09-09 | cif/ hkl/ Adding structures of 2022855 via cif-deposit CGI script. |
2022855.cif 2022855.hkl |
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Users of the data should acknowledge the original authors of the
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