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Information card for entry 2243539
Preview
| Coordinates | 2243539.cif |
|---|---|
| Structure factors | 2243539.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Bis(pyridinium) diaquadipyridinehexakis[μ~3~-salicylhydroximato(3-)]bis[μ~2~-salicylhydroximato(1-)]hexaaluminiumdysprosium‒pyridine‒water (1/7.429/1) |
|---|---|
| Formula | C119.6 H104.6 Al6 Dy N20.32 O30 |
| Calculated formula | C119.6 H104.6 Al6 Dy N20.32 O30 |
| Title of publication | Crystal structures of three anionic lanthanide‒aluminium [3.3.1] metallacryptate complexes |
| Authors of publication | Rheam, Rachel E.; Zeller, Matthias; Zaleski, Curtis M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 9 |
| Pages of publication | 1458 - 1466 |
| a | 13.7232 ± 0.0006 Å |
| b | 16.0871 ± 0.0007 Å |
| c | 28.2946 ± 0.0013 Å |
| α | 80.632 ± 0.002° |
| β | 83.989 ± 0.002° |
| γ | 71.66 ± 0.002° |
| Cell volume | 5840.6 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0572 |
| Residual factor for significantly intense reflections | 0.0478 |
| Weighted residual factors for significantly intense reflections | 0.1117 |
| Weighted residual factors for all reflections included in the refinement | 0.1158 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.142 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255341 (current) | 2020-08-15 | cif/ hkl/ Adding structures of 2243538, 2243539, 2243540 via cif-deposit CGI script. |
2243539.cif 2243539.hkl |
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Users of the data should acknowledge the original authors of the
structural data.