Information card for entry 7247888

Structure parameters

• Formula: C20 H18 Cu N4 O9
• Calculated formula: C20 H12 Cu N4 O9
• Title of publication: Highly efficient iodine uptake and iodate selective probe in a 3D honeycomb-like copper–organic framework based on in situ ligand transformation
• Authors of publication: Dai, Wen; Zhang, Chuanming; Yang, Xiaoang; Li, Lincai
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 6
• Pages of publication: 773 - 782
• a: 18.8181 ± 0.0008 Å
• b: 18.8181 ± 0.0008 Å
• c: 23.6351 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7248.4 ± 0.5 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 179
• Hermann-Mauguin space group symbol: P 65 2 2
• Hall space group symbol: P 65 2 (0 0 1)
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1432
• Weighted residual factors for all reflections included in the refinement: 0.1527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No