Information card for entry 4510246

Structure parameters

• Formula: C19 H14 N2 O9.5 S2 Yb
• Calculated formula: C19 H14 N2 O9.5 S2 Yb
• Title of publication: Ln-MOF Pseudo-Merohedral Twinned Crystalline Family as Solvent-Free Heterogeneous Catalysts
• Authors of publication: D’Vries, Richard F.; Snejko, Natalia; Iglesias, Marta; Gutiérrez-Puebla, Enrique; Monge, M. Angeles
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 5
• Pages of publication: 2516
• a: 18.6903 ± 0.0007 Å
• b: 31.1946 ± 0.001 Å
• c: 6.8692 ± 0.0003 Å
• α: 90°
• β: 90.094 ± 0.003°
• γ: 90°
• Cell volume: 4005 ± 0.3 ų
• Cell temperature: 571 ± 2 K
• Ambient diffraction temperature: 571 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No