Information card for entry 7701964

Structure parameters

• Formula: C48 H42 Cl6 N6 S6 Zn3
• Calculated formula: C48 H42 Cl6 N6 S6 Zn3
• 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: 27.6066 ± 0.0007 Å
• b: 13.4628 ± 0.0003 Å
• c: 21.1123 ± 0.0005 Å
• α: 90°
• β: 125.57 ± 0.002°
• γ: 90°
• Cell volume: 6382.5 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0758
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1449
• Weighted residual factors for all reflections included in the refinement: 0.1575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No