Information card for entry 7135104

Structure parameters

• Formula: C105 H102 Cl6 N18 Se3
• Calculated formula: C102 H96 N18 Se3
• Title of publication: Precise Heteroatoms Engineering for Iodine Capture Promotion in Porous Organic Cages
• Authors of publication: Liu, Chao; Du, Ziwei; Ding, Xu; Wang, Zhixuan; Cao, Lili; Zhou, Ziwen; Chen, Jia; Zhang, Ning
• Journal of publication: Chemical Communications
• Year of publication: 2025
• a: 19.6339 ± 0.001 Å
• b: 19.6339 ± 0.001 Å
• c: 26.1675 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8735.9 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.1996
• Residual factor for significantly intense reflections: 0.0866
• Weighted residual factors for significantly intense reflections: 0.2189
• Weighted residual factors for all reflections included in the refinement: 0.2805
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No