Information card for entry 1549739

Structure parameters

• Formula: C8 H4.19 Al I0.82 O5
• Calculated formula: C8 H4.184 Al I0.816 O5
• Title of publication: Make room for iodine: systematic pore tuning of multivariate metal‒organic frameworks for the catalytic oxidation of hydroquinones using hypervalent iodine
• Authors of publication: Tahmouresilerd, Babak; Larson, Patrick J.; Unruh, Daniel K.; Cozzolino, Anthony F.
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 17
• Pages of publication: 4349
• a: 16.501 ± 0.004 Å
• b: 6.6194 ± 0.0018 Å
• c: 13.21 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1442.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 74
• Hermann-Mauguin space group symbol: I m m a
• Hall space group symbol: -I 2b 2
• Residual factor for all reflections: 0.1326
• Residual factor for significantly intense reflections: 0.127
• Weighted residual factors for significantly intense reflections: 0.3491
• Weighted residual factors for all reflections included in the refinement: 0.3533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No