Information card for entry 7719460

Structure parameters

• Formula: C76 H66 Ba4 Cl4 N40 O33
• Calculated formula: C76 H66 Ba4 Cl4 N40 O33
• Title of publication: Carboxylate ligand-directed synthesis of cucurbit[5]uril-based coordination polymers for the detection of norfloxacin.
• Authors of publication: Cao, Jia; Gu, Jia-Yu; Ding, Wen-Ya; Chen, Xin-Ran; Hua, Zi-Yi; Chen, Kai
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 40
• Pages of publication: 15197 - 15205
• a: 22.661 ± 0.004 Å
• b: 39.136 ± 0.007 Å
• c: 14.285 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12669 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1526
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No