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Information card for entry 2244213
Preview
| Coordinates | 2244213.cif |
|---|---|
| Structure factors | 2244213.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetraaquatetrakis(μ-2-propylvalerato)tetrakis(μ~4~-salicylhydroximato)dysprosiumtetramanganesesodium dimethylformamide tetrasolvate, |
|---|---|
| Formula | C72 H112 Dy Mn4 N8 Na O28 |
| Calculated formula | C72.0072 H112.011 Dy Mn4.0004 N8.0008 Na O28.0028 |
| Title of publication | Crystal structure of a heterotrimetallic 12-metallacrown-4 with 2-propylvalerate anion bridges |
| Authors of publication | Aziz, Ozha A.; Zeller, Matthias; Zaleski, Curtis M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 12 |
| a | 18.2654 ± 0.0009 Å |
| b | 18.2654 ± 0.0009 Å |
| c | 13.4219 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4477.9 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 85 |
| Hermann-Mauguin space group symbol | P 4/n :2 |
| Hall space group symbol | -P 4a |
| Residual factor for all reflections | 0.1023 |
| Residual factor for significantly intense reflections | 0.0722 |
| Weighted residual factors for significantly intense reflections | 0.2125 |
| Weighted residual factors for all reflections included in the refinement | 0.2571 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279135 (current) | 2022-11-09 | cif/ hkl/ Adding structures of 2244213 via cif-deposit CGI script. |
2244213.cif 2244213.hkl |
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