Information card for entry 7131495

Structure parameters

• Formula: C46 H48 N9 O22 Th3
• Calculated formula: C37 H27 N6 O19 Th3
• Title of publication: Post-synthetic linker installation: an unprecedented strategy to enhance iodine adsorption in metal-organic frameworks.
• Authors of publication: Li, Zi-Jian; Ju, Yu; Qiu, Jie; Zhang, Zhi-Hui; Zhang, Linjuan; He, Ming-Yang; Wang, Jian-Qiang; Lin, Jian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 33
• Pages of publication: 4958 - 4961
• a: 15.9061 ± 0.0017 Å
• b: 15.9061 ± 0.0017 Å
• c: 30.979 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7837.8 ± 1.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 132
• Hermann-Mauguin space group symbol: P 42/m c m
• Hall space group symbol: -P 4c 2c
• Residual factor for all reflections: 0.105
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1817
• Weighted residual factors for all reflections included in the refinement: 0.2106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No