Information card for entry 7246157

Structure parameters

• Formula: C52 H51 N24 O22 S2 Sr
• Calculated formula: C52 H51 N24 O22 S2 Sr
• Title of publication: 4,4′-Biphenyldisulfonic acid induced coordination polymers of symmetrical tetramethyl cucurbit[6]uril with alkaline-earth metals for detection of antibiotics
• Authors of publication: Chen, Kai; Zhu, Zhao-Qiang; Zhang, Ming-Hui; Yang, Xiang; Li, Jie; Chen, Chen; Redshaw, Carl
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 6
• Pages of publication: 961 - 970
• a: 20.282 ± 0.005 Å
• b: 15.713 ± 0.005 Å
• c: 24.849 ± 0.005 Å
• α: 90 ± 0.005°
• β: 101.101 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 7771 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1645
• Residual factor for significantly intense reflections: 0.11
• Weighted residual factors for significantly intense reflections: 0.2208
• Weighted residual factors for all reflections included in the refinement: 0.2387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No