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Information card for entry 7225520
Preview
| Coordinates | 7225520.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 1 |
|---|---|
| Formula | C38 H60 Gd2 N6 O14 |
| Calculated formula | C38 H60 Gd2 N6 O14 |
| SMILES | c12c(cccc1C=[N]1N=C3[O]4[Gd]561(O2)(OC(=CC(=[O]5)C)C)([N](CC1=N[N]2=Cc5c(c(ccc5)OC)O[Gd]542([N](C3)(C)C)([O]61)(OC(=CC(=[O]5)C)C)[OH2])(C)C)[OH2])OC.OCC.OCC |
| Title of publication | Probing the structural and magnetic properties of a new family of centrosymmetric dinuclear lanthanide complexes |
| Authors of publication | Jiang, Y.; Holmberg, R. J.; Habib, F.; Ungur, L.; Korobkov, I.; Chibotaru, L. F.; Murugesu, M. |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 61 |
| Pages of publication | 56668 |
| a | 13.3263 ± 0.0003 Å |
| b | 8.3727 ± 0.0002 Å |
| c | 20.7908 ± 0.0005 Å |
| α | 90° |
| β | 102.872 ± 0.0011° |
| γ | 90° |
| Cell volume | 2261.48 ± 0.09 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0214 |
| Residual factor for significantly intense reflections | 0.02 |
| Weighted residual factors for significantly intense reflections | 0.0503 |
| Weighted residual factors for all reflections included in the refinement | 0.051 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7225520.cif |
| 183455 | 2016-06-14 | cif/ Adding structures of 7225520, 7225521, 7225522, 7225523 via cif-deposit CGI script. |
7225520.cif |
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Users of the data should acknowledge the original authors of the
structural data.