Information card for entry 1574702

Structure parameters

• Formula: C48 H42 O7 P2 S2
• Calculated formula: C48 H42 O7 P2 S2
• Title of publication: Flexible phosphonium and sulfonate pair-to-pair self-assembled ionic organic single crystals for iodine capture
• Authors of publication: Sun, Mingxia; Chen, Jia; Zhang, Ting; Xu, Wei; He, Jing; Zhang, Yunyun; Liu, Huifeng; Zhang, Shuang; Wang, Juanjuan; Li, Xin; Yang, Yali; Qiu, Hongdeng
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 26
• Pages of publication: 11858 - 11869
• a: 9.2113 ± 0.0008 Å
• b: 13.5991 ± 0.0011 Å
• c: 17.3584 ± 0.0014 Å
• α: 98.176 ± 0.001°
• β: 93.192 ± 0.001°
• γ: 106.95 ± 0.001°
• Cell volume: 2047.9 ± 0.3 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: 0.0674
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No