Information card for entry 1572095

Structure parameters

• Formula: C114 H136 Cu2 I4 N8 O18
• Calculated formula: C102 H103.996 Cu2 I4 N4 O11.998
• 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: 13.7025 ± 0.0003 Å
• b: 22.6702 ± 0.0005 Å
• c: 41.6085 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12925.2 ± 0.5 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 6
• 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: 0.1716
• Residual factor for significantly intense reflections: 0.1319
• Weighted residual factors for significantly intense reflections: 0.3146
• Weighted residual factors for all reflections included in the refinement: 0.3384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No