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Information card for entry 1559454
Preview
| Coordinates | 1559454.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Mn(cyclam)Br2]Br |
|---|---|
| Formula | C10 H24 Br3 Mn N4 |
| Calculated formula | C10 Br3 Mn N4 |
| SMILES | Br[Mn]123([NH]4CCC[NH]3CC[NH]2CCC[NH]1CC4)Br.[Br-] |
| Title of publication | Structural and Magnetic Characterization of Manganese(III) Complexes of 1,4,8,11-Tetraazacyclotetradecane (Cyclam) |
| Authors of publication | Daugherty, Patricia A.; Glerup, Jorgen; Goodson, Patricia A.; Hodgson, Derek J.; Michelsen, Kirsten |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1991 |
| Journal volume | 45 |
| Pages of publication | 244 - 253 |
| a | 7.971 ± 0.002 Å |
| b | 7.971 ± 0.002 Å |
| c | 13.002 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 826.1 ± 0.4 Å3 |
| Ambient diffraction temperature | 294 K |
| Number of distinct elements | 5 |
| Space group number | 84 |
| Hermann-Mauguin space group symbol | P 42/m |
| Hall space group symbol | -P 4c |
| Residual factor for significantly intense reflections | 0.0589 |
| Weighted residual factors for significantly intense reflections | 0.0773 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.67 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258725 (current) | 2020-11-04 | cif/ Adding structures of 1559454 via cif-deposit CGI script. |
1559454.cif |
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Users of the data should acknowledge the original authors of the
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