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Information card for entry 1559452
Preview
| Coordinates | 1559452.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Mn(cyclam)(NO3)2]NO3 |
|---|---|
| Formula | C10 H24 Mn N7 O9 |
| Calculated formula | C10 Mn N7 O9 |
| SMILES | C1[NH]2CCC[NH]3[Mn]42([NH](C1)CCC[NH]4CC3)(ON(=O)=O)ON(=O)=O.O=N(=O)[O-] |
| 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 | 12.977 ± 0.002 Å |
| b | 8.904 ± 0.002 Å |
| c | 15.562 ± 0.002 Å |
| α | 90° |
| β | 106.76 ± 0.01° |
| γ | 90° |
| Cell volume | 1721.8 ± 0.5 Å3 |
| Ambient diffraction temperature | 294 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for significantly intense reflections | 0.0369 |
| Weighted residual factors for significantly intense reflections | 0.047 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.88 |
| 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 |
|---|---|---|---|
| 258723 (current) | 2020-11-04 | cif/ Adding structures of 1559452 via cif-deposit CGI script. |
1559452.cif |
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