Information card for entry 7060462

Structure parameters

• Formula: C48 H46 N7 O19 Sm2
• Calculated formula: C48 H46 N7 O19 Sm2
• Title of publication: Lanthanide-based bis-(3,5-dicarboxy-phenyl)terephthalamide metal‒organic frameworks: slow relaxation of magnetization and detection of trace Fe2+ and Fe3+
• Authors of publication: Lin, Qingfang; Xie, Wen; Zong, Zhihui; Liu, Zicheng; Sun, Yuqing; Liang, Lili
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 16
• Pages of publication: 7382 - 7389
• a: 36.6398 ± 0.0014 Å
• b: 21.2459 ± 0.0009 Å
• c: 19.1182 ± 0.0009 Å
• α: 90°
• β: 90.864 ± 0.002°
• γ: 90°
• Cell volume: 14880.8 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.1139
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1806
• Weighted residual factors for all reflections included in the refinement: 0.2191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No