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Information card for entry 2022780
Preview
| Coordinates | 2022780.cif |
|---|---|
| Structure factors | 2022780.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Trisodium tris(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)samarate(III) tetradecahydrate |
|---|---|
| Formula | C21 H37 N3 Na3 O26 Sm |
| Calculated formula | C21 H37 N3 Na3 O26 Sm |
| Title of publication | Crystal structures of two SmIII complexes with dipicolinate [DPA]2− ligands: comparison of luminescent properties of products obtained at different pH values |
| Authors of publication | Mortensen, Sabina Svava; Sørensen, Thomas Just |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 7 |
| a | 10.2674 ± 0.001 Å |
| b | 10.9688 ± 0.001 Å |
| c | 17.157 ± 0.0016 Å |
| α | 73.835 ± 0.003° |
| β | 77.573 ± 0.003° |
| γ | 72.894 ± 0.003° |
| Cell volume | 1754.9 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0259 |
| Residual factor for significantly intense reflections | 0.023 |
| Weighted residual factors for significantly intense reflections | 0.057 |
| Weighted residual factors for all reflections included in the refinement | 0.0581 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284688 (current) | 2023-06-29 | cif/ hkl/ Adding structures of 2022780, 2022781 via cif-deposit CGI script. |
2022780.cif 2022780.hkl |
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