Information card for entry 7236342

Structure parameters

• Chemical name: JLU-32
• Formula: C123 H185 Cu7 I4 N25 O34
• Calculated formula: C63 H45 Cu7 I4 N5 O13.75
• Title of publication: Two heterovalent copper‒organic frameworks with multiple secondary building units: high performance for gas adsorption and separation and I2 sorption and release
• Authors of publication: Yao, Shuo; Sun, Xiaodong; Liu, Bing; Krishna, Rajamani; Li, Guanghua; Huo, Qisheng; Liu, Yunling
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2016
• Journal volume: 4
• Journal issue: 39
• Pages of publication: 15081
• a: 34.9115 ± 0.0008 Å
• b: 41.3131 ± 0.0009 Å
• c: 28.971 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 41784.9 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.1302
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 0.836
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No