Information card for entry 1572099

Structure parameters

• Formula: C110 H138.5 Cu2 N4 O31.25
• Calculated formula: C110 H120.5 Cu2 N4 O22.25
• Title of publication: Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.
• Authors of publication: Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 33
• Pages of publication: 13191 - 13200
• a: 13.8537 ± 0.0008 Å
• b: 22.6927 ± 0.0015 Å
• c: 41.561 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13065.9 ± 1.5 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 5
• Space group number: 48
• Hermann-Mauguin space group symbol: P n n n :2
• Hall space group symbol: -P 2ab 2bc
• Residual factor for all reflections: 0.209
• Residual factor for significantly intense reflections: 0.138
• Weighted residual factors for significantly intense reflections: 0.3019
• Weighted residual factors for all reflections included in the refinement: 0.3428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No