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Information card for entry 2223718
Preview
| Coordinates | 2223718.cif |
|---|---|
| Structure factors | 2223718.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>trans</i>-Dichloridotetrakis[1-(2-hydroxyethyl)-1<i>H</i>-tetrazole- κ<i>N</i>^4^]cobalt(II) |
|---|---|
| Formula | C12 H24 Cl2 Co N16 O4 |
| Calculated formula | C12 H24 Cl2 Co N16 O4 |
| SMILES | OCCn1c[n]([Co]([n]2cn(CCO)nn2)(Cl)(Cl)([n]2cn(CCO)nn2)[n]2cn(CCO)nn2)nn1 |
| Title of publication | <i>trans</i>-Dichloridotetrakis[1-(2-hydroxyethyl)-1<i>H</i>-tetrazole-κ<i>N</i>^4^]cobalt(II) |
| Authors of publication | Lyakhov, Alexander S.; Mosalkova, Anastasiya P.; Degtyarik, Mikhail M.; Ivashkevich, Ludmila S.; Gaponik, Pavel N. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2009 |
| Journal volume | 65 |
| Journal issue | 11 |
| Pages of publication | m1397 - m1398 |
| a | 6.8971 ± 0.0019 Å |
| b | 9.4602 ± 0.0017 Å |
| c | 19.761 ± 0.004 Å |
| α | 77.87 ± 0.014° |
| β | 86.721 ± 0.019° |
| γ | 69.481 ± 0.017° |
| Cell volume | 1180.4 ± 0.5 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0666 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.0838 |
| Weighted residual factors for all reflections included in the refinement | 0.0974 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2223718.html
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Users of the data should acknowledge the original authors of the
structural data.