Information card for entry 7201010

Structure parameters

• Formula: C10 H10 O10 S2 Sc2
• Calculated formula: C10 H10 O10 S2 Sc2
• 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: 5.8209 ± 0.0004 Å
• b: 10.0529 ± 0.0008 Å
• c: 24.9876 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1462.2 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1051
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No