Information card for entry 7701965

Structure parameters

• Formula: C56 H57 Br4 Cu2 N7 O6 S6
• Calculated formula: C56 H57 Br4 Cu2 N7 O6 S6
• 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: 9.7837 ± 0.0007 Å
• b: 22.9814 ± 0.0018 Å
• c: 29.458 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6623.4 ± 0.8 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1793
• Residual factor for significantly intense reflections: 0.1191
• Weighted residual factors for significantly intense reflections: 0.2743
• Weighted residual factors for all reflections included in the refinement: 0.2909
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No