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Information card for entry 2204493
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| Coordinates | 2204493.cif |
|---|---|
| Structure factors | 2204493.hkl |
| Original IUCr paper | HTML |
| Common name | ALPOP |
|---|---|
| Chemical name | Tris[2-(2-hydroxyphenyl)-5-phenyl-1,3,4-oxadiazolato]aluminium |
| Formula | C42 H27.33 Al N6 O6.167 |
| Calculated formula | C42 H27.3333 Al N6 O6.16667 |
| Title of publication | Tris[2-(2-oxidophenyl)-5-phenyl-1,3,4-oxadiazole-κ^2^<i>O</i>^2^,<i>N</i>^3^]aluminium 0.167-hydrate |
| Authors of publication | Alice Dawson; Jia-Fu Wang; Michael D. Carducci; Eugene A. Mash |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 11 |
| Pages of publication | m1644 - m1646 |
| a | 15.3472 ± 0.0011 Å |
| b | 19.652 ± 0.0014 Å |
| c | 36.444 ± 0.003 Å |
| α | 90° |
| β | 91.8281 ± 0.0017° |
| γ | 90° |
| Cell volume | 10986 ± 1.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.2163 |
| Residual factor for significantly intense reflections | 0.0743 |
| Weighted residual factors for significantly intense reflections | 0.1587 |
| Weighted residual factors for all reflections included in the refinement | 0.2349 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
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