Information card for entry 7042034

Structure parameters

• Chemical name: JLU-Liu39
• Formula: C72 H112 Cu5 N14 O32 S3
• Calculated formula: C38 H22 Cu5 N2 O23 S3
• Title of publication: An anionic metal-organic framework with ternary building units for rapid and selective adsorption of dyes.
• Authors of publication: Yao, Shuo; Xu, Tong; Zhao, Nian; Zhang, Lirong; Huo, Qisheng; Liu, Yunling
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 10
• Pages of publication: 3332 - 3337
• a: 31.236 ± 0.004 Å
• b: 31.236 ± 0.004 Å
• c: 28.194 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 27509 ± 7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 135
• Hermann-Mauguin space group symbol: P 42/m b c
• Hall space group symbol: -P 4c 2ab
• Residual factor for all reflections: 0.1429
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1981
• Weighted residual factors for all reflections included in the refinement: 0.2953
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No