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Information card for entry 2243538
Preview
| Coordinates | 2243538.cif |
|---|---|
| Structure factors | 2243538.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(pyridinium) diaquadipyridinehexakis[μ~3~-salicylhydroximato(3-)]bis[μ~2~-salicylhydroximato(1-)]hexaaluminiumgadolinium‒pyridine‒water (1/7.396/1) |
|---|---|
| Formula | C119.25 H104.26 Al6 Gd N20.25 O30 |
| Calculated formula | C119.255 H104.255 Al6 Gd N20.251 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 | 13.7267 ± 0.001 Å |
| b | 16.0458 ± 0.0011 Å |
| c | 28.2591 ± 0.0018 Å |
| α | 80.675 ± 0.002° |
| β | 84.459 ± 0.002° |
| γ | 71.757 ± 0.002° |
| Cell volume | 5826.3 ± 0.7 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 | 0.0766 |
| Residual factor for significantly intense reflections | 0.0543 |
| Weighted residual factors for significantly intense reflections | 0.1339 |
| Weighted residual factors for all reflections included in the refinement | 0.1456 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| 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. |
2243538.cif 2243538.hkl |
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Users of the data should acknowledge the original authors of the
structural data.