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Information card for entry 4128236
Preview
| Coordinates | 4128236.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C94 H24 Mo18 N10 O62 P2 |
|---|---|
| Calculated formula | C94 H24 Mo18 N10 O62 P2 |
| SMILES | [n]12ccc(cc1)c1cc[n](cc1)[Mo]134(=O)O[Mo]56(=O)(=O)O[Mo]789([n]%10ccc(c%11cc[n](cc%11)[Mo]%11%12%13(=O)O[Mo]%14%15(=O)(=O)O[Mo]%16%172(=O)O[Mo]2%18(=O)(O[Mo]%19%20([n]%21ccc(cc%21)c%21cc[n](cc%21)[Mo]%21%22%23(=O)O[Mo]%24(=O)(=O)(O1)O[Mo]1%25(O%22)(=O)O[Mo]%22%26(O[Mo](=O)(=O)(O%21)(O7)[O]%23=P([O]4%24)([O]69)[O]%25%26[Mo](O5)(O3)(=O)(O%22)O1)(O8)=O)(=O)O[Mo]1(=O)(=O)(O%11)O[Mo]34(O%19)(=O)O[Mo]5(O%14)(O%12)(=O)O[Mo](O2)(O%16)(=O)(O3)[O]45[P+]([O]%18%20)([O]%15%17)[O]%131)=O)cc%10)=O.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC |
| Title of publication | Self-Assembly of Anionic Polyoxometalate-Organic Architectures Based on Lacunary Phosphomolybdates and Pyridyl Ligands. |
| Authors of publication | Li, Chifeng; Mizuno, Noritaka; Yamaguchi, Kazuya; Suzuki, Kosuke |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 19 |
| Pages of publication | 7687 - 7692 |
| a | 34.5995 ± 0.0003 Å |
| b | 21.4956 ± 0.0002 Å |
| c | 27.1188 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 20169.3 ± 0.3 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.1059 |
| Residual factor for significantly intense reflections | 0.0816 |
| Weighted residual factors for significantly intense reflections | 0.2441 |
| Weighted residual factors for all reflections included in the refinement | 0.2702 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 221363 (current) | 2019-11-03 | cif/ Adding structures of 4128234, 4128235, 4128236, 4128237, 4128238 via cif-deposit CGI script. |
4128236.cif |
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Users of the data should acknowledge the original authors of the
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