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Information card for entry 7045020
Preview
| Coordinates | 7045020.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H19 Gd N4 Ni O16 |
|---|---|
| Calculated formula | C18 H19 Gd N4 Ni O16 |
| SMILES | [Gd]123456([O]7[Ni]8([O]=Cc9c7c(ccc9)[O]1C)([O]2c1c(cccc1C=[O]8)[O]3C)([OH2])[N]#CC)(ON(=[O]4)=O)(ON(=[O]5)=O)ON(=[O]6)=O |
| 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 | 9.9098 ± 0.0014 Å |
| b | 15.519 ± 0.002 Å |
| c | 16.211 ± 0.002 Å |
| α | 90° |
| β | 94.695 ± 0.015° |
| γ | 90° |
| Cell volume | 2484.7 ± 0.6 Å3 |
| Cell temperature | 160 ± 2 K |
| Ambient diffraction temperature | 160 ± 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 | 0.0195 |
| Residual factor for significantly intense reflections | 0.0183 |
| Weighted residual factors for significantly intense reflections | 0.0437 |
| Weighted residual factors for all reflections included in the refinement | 0.0442 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
| 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. |
7045020.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. |
7045020.cif |
| 204177 | 2017-12-12 | cif/ Adding structures of 7045020, 7045021, 7045022, 7045023, 7045024, 7045025 via cif-deposit CGI script. |
7045020.cif |
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