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Information card for entry 2021295
Preview
| Coordinates | 2021295.cif |
|---|---|
| Structure factors | 2021295.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | {Triaqua[2,6-diacetylpyridine bis(semicarbazone)-κ^5^<i>O</i>,<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>']dysprosium(III)}-μ-oxido-[tricosa-μ~2~-oxido-dodecaoxido-μ~12~-phosphato-dodecamolybdenum(VI)] pentahydrate |
|---|---|
| Formula | C11 H31 Dy Mo12 N7 O50 P |
| Calculated formula | C11 H31 Dy Mo12 N7 O50 P |
| Title of publication | Two new POM-based compounds modified by lanthanide–Schiff base complexes with interesting NLO properties |
| Authors of publication | Luo, Xi-Ming; Cui, Chen-Hui; Cao, Jia-Peng; Lin, Qing-Fang; Xu, Yan |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 11 |
| a | 11.566 ± 0.003 Å |
| b | 15.218 ± 0.003 Å |
| c | 15.257 ± 0.003 Å |
| α | 80.092 ± 0.003° |
| β | 87.602 ± 0.003° |
| γ | 75.013 ± 0.002° |
| Cell volume | 2555.4 ± 1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0561 |
| Residual factor for significantly intense reflections | 0.0393 |
| Weighted residual factors for significantly intense reflections | 0.1026 |
| Weighted residual factors for all reflections included in the refinement | 0.1109 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301801 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/02 Each referenced PubChem compound corresponds to the full crystal structure. |
2021295.cif 2021295.hkl |
| 211617 | 2018-10-25 | cif/ hkl/ Adding structures of 2021294, 2021295 via cif-deposit CGI script. |
2021295.cif 2021295.hkl |
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Users of the data should acknowledge the original authors of the
structural data.