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Information card for entry 7227173
Preview
| Coordinates | 7227173.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H33 N4 O12 Y Zn |
|---|---|
| Calculated formula | C24 H33 N4 O12 Y Zn |
| SMILES | [Y]123456([O]7[Zn]89([O]3c3c([O]4C)cc(cc3C[N]8(C)CC[N]9(Cc3cc(cc([O]2C)c37)C)C)C)[O]=C(O1)C)(ON(=O)=[O]6)ON(=O)=[O]5 |
| Title of publication | Rational design of triple-bridged dinuclear ZnIILnIII-based complexes: a structural, magnetic and luminescence study |
| Authors of publication | Zabala-Lekuona, A.; Cepeda, J.; Oyarzabal, I.; Rodríguez-Diéguez, A.; García, J. A.; Seco, J. M.; Colacio, E. |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 2 |
| Pages of publication | 256 |
| a | 11.2871 ± 0.0003 Å |
| b | 11.6719 ± 0.0004 Å |
| c | 25.6378 ± 0.0006 Å |
| α | 82.855 ± 0.002° |
| β | 79.874 ± 0.002° |
| γ | 63.094 ± 0.003° |
| Cell volume | 2961.17 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0393 |
| Residual factor for significantly intense reflections | 0.0341 |
| Weighted residual factors for significantly intense reflections | 0.0861 |
| Weighted residual factors for all reflections included in the refinement | 0.0905 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
7227173.cif |
| 191546 | 2017-02-04 | cif/ Updating files of 7227173, 7227174, 7227175, 7227176 Original log message: Adding full bibliography for 7227173--7227176.cif. |
7227173.cif |
| 188664 | 2016-11-25 | cif/ Adding structures of 7227173, 7227174, 7227175, 7227176 via cif-deposit CGI script. |
7227173.cif |
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Users of the data should acknowledge the original authors of the
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