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Information card for entry 7062535
Preview
| Coordinates | 7062535.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H24 Co2 Cu3 Mo10 N6 O48 |
|---|---|
| Calculated formula | C30 H24 Co2 Cu3 Mo10 N6 O49 |
| SMILES | [Mo]123(=O)(=O)[O]45[Co]6789[O]%10[Mo]%11(=[O][Cu]%12([OH2])([OH2])([OH2])[n]%13ccccc%13c%13[n]%12cccc%13)(=[O][Cu]%12([OH2])([OH2])[n]%13ccccc%13c%13[n]%12cccc%13)([O]6[Mo]5(=O)(O%11)(O1)=O)O[Mo]1%10(=O)(=O)O[Mo]56(=O)(=O)[O]%10%11[Co]%12%13%14%15[O]%16[Mo]%17%18(=O)(=[O][Cu]%19([OH2])([O]=[Mo]4(=O)([O]96%14)(O%17)[O]3%15%18)[n]3ccccc3c3[n]%19cccc3)O[Mo]3%16(=O)(=O)O[Mo]%11(=O)(=O)(O[Mo]%10(=O)([O]715)([O]28%12)=O)[O]%133.O.O.O.O.O |
| Title of publication | Two novel supramolecular structures of Evans–Showell type polyoxometalate for heterogeneous and efficient catalytic conversion of different sulfides |
| Authors of publication | An, Haiyan; Huang, Yaohui; Chen, Yanhong; Zhu, Qingshan; Wei, Yuting |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2023 |
| Journal volume | 47 |
| Journal issue | 28 |
| Pages of publication | 13528 - 13537 |
| a | 16.0443 ± 0.0006 Å |
| b | 20.4432 ± 0.001 Å |
| c | 20.5811 ± 0.0009 Å |
| α | 90° |
| β | 106.925 ± 0.0013° |
| γ | 90° |
| Cell volume | 6458.1 ± 0.5 Å3 |
| Cell temperature | 302 ± 2 K |
| Ambient diffraction temperature | 302 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0591 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.0827 |
| Weighted residual factors for all reflections included in the refinement | 0.0952 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.931 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285480 (current) | 2023-08-05 | cif/ Updating files of 7062534, 7062535 Original log message: Adding full bibliography for 7062534--7062535.cif. |
7062535.cif |
| 284735 | 2023-07-01 | cif/ Adding structures of 7062534, 7062535 via cif-deposit CGI script. |
7062535.cif |
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structural data.