Information card for entry 2204493

Structure parameters

• 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 ų
• 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