Information card for entry 4513377

Structure parameters

• Formula: C48 H22 Cu2 O12
• Calculated formula: C48 H22 Cu2 O12
• Title of publication: A Noninterpenetrated Metal‒Organic Framework Built from an Enlarged Tetracarboxylic Acid for Small Hydrocarbon Separation
• Authors of publication: Cai, Jianfeng; Yu, Jiancan; Wang, Hailong; Duan, Xing; Zhang, Qi; Wu, Chuande; Cui, Yuanjing; Yu, Yang; Wang, Zhiyu; Chen, Banglin; Qian, Guodong
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 8
• Pages of publication: 4071
• a: 39.58 ± 0.004 Å
• b: 39.58 ± 0.004 Å
• c: 27.445 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 42995 ± 10 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 139
• Hermann-Mauguin space group symbol: I 4/m m m
• Hall space group symbol: -I 4 2
• Residual factor for all reflections: 0.1712
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1964
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No