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Information card for entry 1559085
Preview
| Coordinates | 1559085.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Lanthanide Complex, DyDTPA-BMA Hydrate |
|---|---|
| Formula | C16 H40 Dy N5 O15 |
| Calculated formula | C16 Dy N5 O15 |
| SMILES | [Dy]1234567([O]=C(NC)C[N]5(CC(=O)O1)CC[N]6(CC(=O)O2)CC[N]7(CC(=O)O3)CC(NC)=[O]4)[OH2].O.O.O.O.O.O |
| Title of publication | Molecular and Crystal Structure of a Lanthanide Complex, DyDTPA-BMA Hydrate |
| Authors of publication | Ehnebom, Lisbeth; Pedersen, Berit Faertoft |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1992 |
| Journal volume | 46 |
| Pages of publication | 126 - 130 |
| a | 9.358 ± 0.002 Å |
| b | 25.187 ± 0.004 Å |
| c | 12.009 ± 0.002 Å |
| α | 90° |
| β | 109.52 ± 0.01° |
| γ | 90° |
| Cell volume | 2667.8 ± 0.9 Å3 |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.024 |
| Weighted residual factors for significantly intense reflections | 0.034 |
| 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 |
|---|---|---|---|
| 256422 (current) | 2020-09-15 | cif/ Adding structures of 1559085 via cif-deposit CGI script. |
1559085.cif |
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