Information card for entry 7228115

Structure parameters

• Formula: C117 H178 Cu6 N30 O50
• Calculated formula: C55 H30 Cu6 N9 O30
• Title of publication: An Anionic Metal-Organic Framework Constructed from a Triazole-Functionalized Diisophthalate Featuring Hierarchical Cages for Selective Adsorptive C2H2/CH4 and CO2/CH4 Separation
• Authors of publication: Liu, Zhen; Lv, Lingzhi; He, Yabing; Feng, YunLong
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 26.9768 ± 0.0015 Å
• b: 26.9768 ± 0.0015 Å
• c: 39.206 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 28532 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 128
• Hermann-Mauguin space group symbol: P 4/m n c
• Hall space group symbol: -P 4 2n
• Residual factor for all reflections: 0.1119
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1436
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No