Information card for entry 7701966

Structure parameters

• Formula: C116 H144 Cu8 I12 N18 O16 S12
• Calculated formula: C116 H144 Cu8 I12 N18 O16 S12
• Title of publication: Thioether-Based Recyclable Metal Organic Frameworks for Selective and Efficient Removal of Hg2+ from Water
• Authors of publication: Li, Kan; Li, Jing-jing; Zhao, Ni; Xie, Ting-ting; Di, Bin; Xu, Li-li
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 37.334 ± 0.004 Å
• b: 11.7895 ± 0.0012 Å
• c: 19.3724 ± 0.0019 Å
• α: 90°
• β: 117.422 ± 0.003°
• γ: 90°
• Cell volume: 7568.7 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 7
• 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: 0.1062
• Residual factor for significantly intense reflections: 0.1032
• Weighted residual factors for significantly intense reflections: 0.2343
• Weighted residual factors for all reflections included in the refinement: 0.236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 0.77489 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No