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Information card for entry 7230095
Preview
| Coordinates | 7230095.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | SuperNova |
|---|---|
| Formula | C69 H57 Cu6 N15 O17 |
| Calculated formula | C69 H57 Cu6 N15 O17 |
| SMILES | [Cu]12([O]=C3N4[Cu]5([O]=C(N24)c2c(O1)c(OC)ccc2)[O]=C1N2[Cu](Oc4c1cccc4OC)([O]=C(N52)c1nc(C2N4[Cu]5([O]=C6c7cccc(OC)c7O[Cu]7(N6N5C(=[O]7)c5nc3ccc5)[n]3ccccc3)[O]=C3N4[Cu]([O]=2)(Oc2c(OC)cccc32)[n]2ccccc2)ccc1)[n]1ccccc1)[n]1ccccc1.O=CN(C)C |
| Title of publication | A family of 3d metal clusters based on N–N single bonds bridged quasi-linear trinuclear cores: the Mn analogue displaying single-molecule magnet behavior |
| Authors of publication | Wang, Kai; Tang, Shen; Hu, Zhao-Bo; Zou, Hua-Hong; Wang, Xiao-Lu; Li, Yan; Zhang, Shu-Hua; Chen, Zi-Lu; Liang, Fu-Pei |
| Journal of publication | RSC Advances |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 12 |
| Pages of publication | 6218 |
| a | 14.6309 ± 0.0005 Å |
| b | 35.9987 ± 0.001 Å |
| c | 14.3693 ± 0.0004 Å |
| α | 90° |
| β | 90.793 ± 0.002° |
| γ | 90° |
| Cell volume | 7567.5 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0976 |
| Residual factor for significantly intense reflections | 0.0616 |
| Weighted residual factors for significantly intense reflections | 0.1469 |
| Weighted residual factors for all reflections included in the refinement | 0.1597 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7230095.cif |
| 206293 | 2018-02-08 | cif/ Adding structures of 7230092, 7230093, 7230094, 7230095 via cif-deposit CGI script. |
7230095.cif |
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Users of the data should acknowledge the original authors of the
structural data.