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Information card for entry 7242635
Preview
| Coordinates | 7242635.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H42 Cu2 Mo12 N9 O48 P |
|---|---|
| Calculated formula | C48 H42 Cu2 Mo12 N9 O48 P |
| SMILES | [Mo]1234(O[Mo]567(=O)[O]89=P%10%11[O]%12%13[Mo]%14%15%16(O[Mo]%179(O5)(O[Mo]58(O[Mo]8%12(O[Mo]9(O5)(=O)(O[Mo]5(O[Mo]%13(=[O][Cu]%12%13([n]%18n(Cc%19ccc(C(=O)O)cc%19)ccc%18c%18[n]%12cccc%18)([O]=C(O%13)c%12ccc(cc%12)Cn%12ccc%13[n]%12[Cu]%12([OH2])([n]%18c(cccc%18)c%18ccn(Cc%19ccc(cc%19)C(=O)O)[n]%12%18)[n]%12ccccc%13%12)[OH2])(O%14)(O[Mo]%12%13([O]%14%10[Mo](=O)(O[Mo]%14(=O)(O%12)(O%16)O%17)(O7)(O3)O%13)(O5)=O)O8)(O1)(=O)[O]4%119)O2)(=O)O%15)(=O)O6)=O)=O)=O |
| Title of publication | Assembly, structures and properties of polyoxometalate-based supramolecular complexes involving in situ transformation of single-branch N-donor cyano ligands |
| Authors of publication | Wang, Xiang; Li, Yunhui; Zhang, Tong; Ma, Sijia; Wang, Xiuli |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 19 |
| Pages of publication | 3477 - 3487 |
| a | 13.186 ± 0.005 Å |
| b | 16.56 ± 0.005 Å |
| c | 17.567 ± 0.005 Å |
| α | 86.945 ± 0.005° |
| β | 86.378 ± 0.005° |
| γ | 76.76 ± 0.005° |
| Cell volume | 3724 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0716 |
| Residual factor for significantly intense reflections | 0.0448 |
| Weighted residual factors for significantly intense reflections | 0.1105 |
| Weighted residual factors for all reflections included in the refinement | 0.1259 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265956 (current) | 2021-06-05 | cif/ Updating files of 7242631, 7242632, 7242633, 7242634, 7242635, 7242636 Original log message: Adding full bibliography for 7242631--7242636.cif. |
7242635.cif |
| 264067 | 2021-04-13 | cif/ Adding structures of 7242631, 7242632, 7242633, 7242634, 7242635, 7242636 via cif-deposit CGI script. |
7242635.cif |
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Users of the data should acknowledge the original authors of the
structural data.