Information card for entry 7134710

Structure parameters

• Formula: C73 H90 N4 O18 S2
• Calculated formula: C73 H90 N4 O18 S2
• Title of publication: Pillar[5]arene-based ionic single crystals formed by dual self-assemblies through host-guest and ionic interactions for iodine capture.
• Authors of publication: Zhang, Ting; Wang, Lulu; Li, Hui; Sun, Mingxia; Chen, Jia; Guan, Shuzhe; Qiu, Hongdeng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 58
• Pages of publication: 10843 - 10846
• a: 13.938 ± 0.003 Å
• b: 16.892 ± 0.004 Å
• c: 18.001 ± 0.004 Å
• α: 77.27 ± 0.004°
• β: 68.987 ± 0.004°
• γ: 75.532 ± 0.004°
• Cell volume: 3790.6 ± 1.5 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1828
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.2298
• Weighted residual factors for all reflections included in the refinement: 0.2962
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No