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Information card for entry 4301123
Preview
| Coordinates | 4301123.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H22 N6 O5 |
|---|---|
| Calculated formula | C16 H22 N6 O5 |
| SMILES | [O-]C(=O)C[NH+](CC(=O)O)CCN(Cc1nccnc1)Cc1nccnc1.O |
| Title of publication | Comparison of Two Tetrapodal N,O Ligands: Impact of the Softness of the Heterocyclic N-Donors Pyridine and Pyrazine on the Selectivity for Am(III) over Eu(III) |
| Authors of publication | Marie Heitzmann; Florence Bravard; Christelle Gateau; Nathalie Boubals; Claude Berthon; Jacques Pécaut; Marie-Christine Charbonnel; Pascale Delangle |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2009 |
| Journal volume | 48 |
| Pages of publication | 246 - 256 |
| a | 19.42 ± 0.04 Å |
| b | 7.104 ± 0.015 Å |
| c | 13.77 ± 0.03 Å |
| α | 90° |
| β | 108.45 ± 0.03° |
| γ | 90° |
| Cell volume | 1802 ± 7 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.05 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.0958 |
| Weighted residual factors for all reflections included in the refinement | 0.0991 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.