Information card for entry 1554216

Structure parameters

• Formula: C39 H25 Cu1.5 N2.5 O6
• Calculated formula: C39 H25.5 Cu1.5 N2.5 O6
• Title of publication: Porous metal‒organic frameworks based on 3,6-bis(4-benzoic acid)-N-(4-benzoic acid)carbazole for HPLC separation of small organic molecules
• Authors of publication: Chen, Dong-Hui; Zhuo, Chao; Wen, Yue-Hong; Lin, Ling; Zhang, Yu-Xiao; Hu, Sheng-Min; Fu, Rui-Biao; Wu, Xin-Tao
• Journal of publication: Materials Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 2
• Journal issue: 8
• Pages of publication: 1508
• a: 31.8272 ± 0.0003 Å
• b: 31.8272 ± 0.0003 Å
• c: 27.8945 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 28256.3 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 137
• Hermann-Mauguin space group symbol: P 42/n m c :2
• Hall space group symbol: -P 4ac 2a
• Residual factor for all reflections: 0.1159
• Residual factor for significantly intense reflections: 0.0985
• Weighted residual factors for significantly intense reflections: 0.326
• Weighted residual factors for all reflections included in the refinement: 0.3548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No