Information card for entry 7201012

Structure parameters

• Formula: C10 H9 O8 S2 Y
• Calculated formula: C10 H9 O8 S2 Y
• Title of publication: 3D scandium and yttrium arenedisulfonate MOF materials as highly thermally stable bifunctional heterogeneous catalysts
• Authors of publication: Perles, Josefina; Snejko, Natalia; Iglesias, Marta; Monge, M. Ángeles
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2009
• Journal volume: 19
• Journal issue: 36
• Pages of publication: 6504
• a: 7.6693 ± 0.0005 Å
• b: 7.8627 ± 0.0005 Å
• c: 21.0191 ± 0.0013 Å
• α: 90°
• β: 91.607 ± 0.001°
• γ: 90°
• Cell volume: 1266.98 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0581
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No