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Information card for entry 7039815
Preview
| Coordinates | 7039815.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H50 Cu2 Mo6 N8 O38 Te |
|---|---|
| Calculated formula | C28 H50 Cu2 Mo6 N8 O38 Te |
| SMILES | C(=O)(NCCNC(=O)c1cc[nH+]cc1)c1cc[n](cc1)[Cu]1([O]=[Mo]234(O[Mo]56(=O)(=O)[O]3[Te]3789[O]2[Mo]2(=[O]1)(O[Mo]1(O[Mo]%10%11(=[O][Cu]([n]%12ccc(C(=O)NCCNC(=O)c%13cc[nH+]cc%13)cc%12)([O]=[Mo]([O]3%10)(O5)([O]68)(=O)O%11)([OH2])([OH2])[OH2])([O]71)=O)(=O)(=O)[O]92)(=O)O4)=O)([OH2])([OH2])[OH2].O.O.O.O |
| Title of publication | A series of Anderson-type polyoxometalate-based metal-organic complexes: their pH-dependent electrochemical behaviour, and as electrocatalysts and photocatalysts. |
| Authors of publication | Wang, Xiuli; Sun, Junjun; Lin, Hongyan; Chang, Zhihan; Wang, Xiang; Liu, Guocheng |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 31 |
| Pages of publication | 12465 - 12478 |
| a | 8.702 ± 0.0005 Å |
| b | 11.625 ± 0.0007 Å |
| c | 13.729 ± 0.0009 Å |
| α | 73.65 ± 0.001° |
| β | 82.113 ± 0.001° |
| γ | 83.94 ± 0.001° |
| Cell volume | 1316.79 ± 0.14 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.045 |
| Residual factor for significantly intense reflections | 0.0303 |
| Weighted residual factors for significantly intense reflections | 0.0648 |
| Weighted residual factors for all reflections included in the refinement | 0.0711 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7039815.cif |
| 185452 | 2016-08-07 | cif/ Updating files of 7039813, 7039814, 7039815, 7039816, 7039817, 7039818, 7039819 Original log message: Adding full bibliography for 7039813--7039819.cif. |
7039815.cif |
| 184272 | 2016-07-07 | cif/ Adding structures of 7039813, 7039814, 7039815, 7039816, 7039817, 7039818, 7039819 via cif-deposit CGI script. |
7039815.cif |
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Users of the data should acknowledge the original authors of the
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