Information card for entry 7720970

Structure parameters

• Formula: C88 H92 N12 O12 S2
• Calculated formula: C88 H92 N12 O12 S2
• Title of publication: Noncovalent assembly strategy to significantly enhance the iodine adsorption capacity of a Schiff-base macrocycle
• Authors of publication: Huang, Chao; He, Shan-Xian; Li, Rong-Feng; Zhu, Bixue
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 29.98 ± 0.04 Å
• b: 14.09 ± 0.03 Å
• c: 39.28 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16593 ± 4 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.2063
• Residual factor for significantly intense reflections: 0.1382
• Weighted residual factors for significantly intense reflections: 0.2217
• Weighted residual factors for all reflections included in the refinement: 0.245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No