Information card for entry 7711870

Structure parameters

• Formula: C18 H8 Cd N6 O6 S2
• Calculated formula: C18 H8 Cd N6 O6 S2
• Title of publication: Selective recognition of Hg²⁺ ions in aqueous solution by a Cd^II-based metal-organic framework with good stability and vacant coordination sites.
• Authors of publication: Cao, Xiao-Qin; Wu, Wei-Peng; Li, Qiang; Zheng, Teng-Fei; Chen, Yong-Qiang; Chen, Jing-Lin; Liu, Sui-Jun; Wen, He-Rui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 3
• Pages of publication: 652 - 658
• a: 10.1318 ± 0.0003 Å
• b: 10.4983 ± 0.0003 Å
• c: 10.9116 ± 0.0003 Å
• α: 105.487 ± 0.001°
• β: 97.622 ± 0.001°
• γ: 99.918 ± 0.001°
• Cell volume: 1082.09 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No