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Information card for entry 7227072
Preview
| Coordinates | 7227072.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C37 H22 Br Cu F30 Gd N3 O13 |
|---|---|
| Calculated formula | C37 H22 Br Cu F30 Gd N3 O13 |
| SMILES | [Gd]123(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)([O]=[N]1C(C(N(=O)=C1c1c[n]([Cu]24([O]=C(C=C(O2)C(F)(F)F)C(F)(F)F)[O]=C(C(F)(F)F)C=C(O4)C(F)(F)F)cc(Br)c1)(C)C)(C)C)([O]=C(C=C(O3)C(F)(F)F)C(F)(F)F)[OH2] |
| Title of publication | Cu–Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties |
| Authors of publication | Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 48 |
| Pages of publication | 9345 |
| a | 11.73 ± 0.0008 Å |
| b | 14.9975 ± 0.0013 Å |
| c | 16.8333 ± 0.0013 Å |
| α | 82.081 ± 0.005° |
| β | 71.866 ± 0.004° |
| γ | 79.621 ± 0.005° |
| Cell volume | 2757.6 ± 0.4 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0622 |
| Residual factor for significantly intense reflections | 0.0499 |
| Weighted residual factors for significantly intense reflections | 0.1339 |
| Weighted residual factors for all reflections included in the refinement | 0.1475 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| 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. |
7227072.cif |
| 190072 | 2017-01-09 | cif/ Updating files of 7227070, 7227071, 7227072, 7227073, 7227074, 7227075, 7227076, 7227077 Original log message: Adding full bibliography for 7227070--7227077.cif. |
7227072.cif |
| 188391 | 2016-11-11 | cif/ Adding structures of 7227070, 7227071, 7227072, 7227073, 7227074, 7227075, 7227076, 7227077 via cif-deposit CGI script. |
7227072.cif |
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Users of the data should acknowledge the original authors of the
structural data.