Information card for entry 7060286

Structure parameters

• Formula: C122.5 H109 Cu2 N10 O18 S8
• Calculated formula: C120 H104 Cu2 N8 O16 S8
• Title of publication: Functionalized resorcin[4]arene-based coordination polymers as heterogeneous catalysts for click reactions
• Authors of publication: Wang, Fei-Fei; Li, Jia-Hui; Liu, Hai-Yan; Deng, Shu-Ping; Liu, Ying-Ying; Ma, Jian-Fang
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 6
• Pages of publication: 3181 - 3187
• a: 21.8025 ± 0.001 Å
• b: 22.095 ± 0.001 Å
• c: 48.236 ± 0.002 Å
• α: 90°
• β: 90.174 ± 0.004°
• γ: 90°
• Cell volume: 23236.4 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.2104
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.1786
• Weighted residual factors for all reflections included in the refinement: 0.2484
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No