Information card for entry 7237246

Structure parameters

• Formula: C32 H18 Ga2 N2 O10
• Calculated formula: C32 H18 Ga2 N2 O10
• 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: 6.68115 ± 0.00016 Å
• b: 21.2861 ± 0.0004 Å
• c: 15.903 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2261.66 ± 0.08 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 65
• Hermann-Mauguin space group symbol: C m m m
• Hall space group symbol: -C 2 2
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No