Information card for entry 4002185

Structure parameters

• Formula: C36 H43 N4 O10 Sm
• Calculated formula: C36 H43 N4 O10 Sm
• Title of publication: Hysteretic Gas and Vapor Sorption in Flexible Interpenetrated Lanthanide-Based Metal‒Organic Frameworks with Coordinated Molecular Gating via Reversible Single-Crystal-to-Single-Crystal Transformation for Enhanced Selectivity
• Authors of publication: Wang, Chao; Li, Liangjun; Bell, Jon G.; Lv, Xiaoxia; Tang, Sifu; Zhao, Xuebo; Thomas, K. Mark
• Journal of publication: Chemistry of Materials
• Year of publication: 2015
• Journal volume: 27
• Journal issue: 5
• Pages of publication: 1502
• a: 32.14 ± 0.02 Å
• b: 9.156 ± 0.006 Å
• c: 26.864 ± 0.018 Å
• α: 90°
• β: 112.859 ± 0.007°
• γ: 90°
• Cell volume: 7285 ± 8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1113
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No