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Information card for entry 7045022
Preview
| Coordinates | 7045022.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H30 N3 Ni O17 Tb |
|---|---|
| Calculated formula | C22 H30 N3 Ni O17 Tb |
| SMILES | [Ni]123([O]=Cc4c5[O]3[Tb]3678(ON(=O)=[O]7)(ON(=O)=[O]6)([O]1c1c([O]3C)cccc1C=[O]2)([O](c5ccc4)C)[O]=N(=O)O8)([OH]C(C)C)[OH]C(C)C |
| Title of publication | Ni<sup>II</sup>-Ln<sup>III</sup> complexes with o-vanillin as the main ligand: syntheses, structures, magnetic and magnetocaloric properties. |
| Authors of publication | Costes, Jean-Pierre; Dahan, Françoise; Vendier, Laure; Shova, Sergiu; Lorusso, Giulia; Evangelisti, Marco |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 4 |
| Pages of publication | 1106 - 1116 |
| a | 9.5216 ± 0.0019 Å |
| b | 16.757 ± 0.003 Å |
| c | 19.565 ± 0.004 Å |
| α | 90° |
| β | 93.34 ± 0.03° |
| γ | 90° |
| Cell volume | 3116.4 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0598 |
| Residual factor for significantly intense reflections | 0.0349 |
| Weighted residual factors for significantly intense reflections | 0.045 |
| Weighted residual factors for all reflections included in the refinement | 0.0481 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7045022.cif |
| 229534 | 2019-11-17 | cif/ Updating files of 7045020, 7045021, 7045022, 7045023, 7045024, 7045025 Original log message: Adding full bibliography for 7045020--7045025.cif. |
7045022.cif |
| 204177 | 2017-12-12 | cif/ Adding structures of 7045020, 7045021, 7045022, 7045023, 7045024, 7045025 via cif-deposit CGI script. |
7045022.cif |
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Users of the data should acknowledge the original authors of the
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