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Information card for entry 1515909
Preview
| Coordinates | 1515909.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H30 Br2 Co N4 |
|---|---|
| Calculated formula | C12 H30 Br2 Co N4 |
| SMILES | [Br-].Br[Co]123[N](CC[N]1(C)C)(CC[N]2(C)C)CC[N]3(C)C |
| Title of publication | Ising-type magnetic anisotropy and single molecule magnet behaviour in mononuclear trigonal bipyramidal Co(ii) complexes |
| Authors of publication | Ruamps, Renaud; Batchelor, Luke J.; Guillot, Régis; Zakhia, Georges; Barra, Anne-Laure; Wernsdorfer, W.; Guihéry, Nathalie; Mallah, Talal |
| Journal of publication | Chemical Science |
| Year of publication | 2014 |
| Journal volume | 5 |
| Journal issue | 9 |
| Pages of publication | 3418 |
| a | 12.0262 ± 0.0004 Å |
| b | 12.0262 ± 0.0004 Å |
| c | 12.0262 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1739.34 ± 0.1 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 198 |
| Hermann-Mauguin space group symbol | P 21 3 |
| Hall space group symbol | P 2ac 2ab 3 |
| Residual factor for all reflections | 0.0282 |
| Residual factor for significantly intense reflections | 0.0212 |
| Weighted residual factors for significantly intense reflections | 0.0288 |
| Weighted residual factors for all reflections included in the refinement | 0.0295 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1515909.cif |
| 121571 | 2014-08-08 | cif/ Updating files of 1515908, 1515909, 1515910 Original log message: Adding full bibliography for 1515908--1515910.cif. |
1515909.cif |
| 112436 | 2014-05-01 | cif/ Adding structures of 1515908, 1515909, 1515910 via cif-deposit CGI script. |
1515909.cif |
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Users of the data should acknowledge the original authors of the
structural data.