Information card for entry 7237247

Structure parameters

• Formula: C32 H20 N2 O11 Sc2
• Calculated formula: C32 H16 N2 O11 Sc2
• Title of publication: STA-27, a porous Lewis acidic scandium MOF with an unexpected topology type prepared with 2,3,5,6-tetrakis(4-carboxyphenyl)pyrazine
• Authors of publication: Prasad, Ram R. R.; Seidner, Sarah E.; Cordes, David B.; Lozinska, Magdalena M.; Dawson, Daniel M.; Thompson, Megan J.; Düren, Tina; Chakarova, Kristina K.; Mihaylov, Mihail Y.; Hadjiivanov, Konstantin I.; Hoffmann, Frank; Slawin, Alexandra M. Z.; Ashbrook, Sharon E.; Clarke, Matthew L.; Wright, Paul A.
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 10
• Pages of publication: 5685
• a: 15.504 ± 0.007 Å
• b: 9.443 ± 0.004 Å
• c: 15.975 ± 0.007 Å
• α: 90°
• β: 99.277 ± 0.014°
• γ: 90°
• Cell volume: 2308.2 ± 1.8 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1725
• Residual factor for significantly intense reflections: 0.1409
• Weighted residual factors for significantly intense reflections: 0.4052
• Weighted residual factors for all reflections included in the refinement: 0.4218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.56
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No