Information card for entry 7719458

Structure parameters

• Formula: C45 H37 Ba2 Cl N20 O26
• Calculated formula: C45 H37 Ba2 Cl N20 O26
• 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: 14.666 ± 0.005 Å
• b: 20.87 ± 0.005 Å
• c: 19.989 ± 0.005 Å
• α: 90 ± 0.005°
• β: 109.804 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 5756 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1516
• Weighted residual factors for all reflections included in the refinement: 0.1577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No