Information card for entry 7713211

Structure parameters

• Formula: C56 H36 Co3 N4 O12
• Calculated formula: C56 H36 Co3 N4 O12
• Title of publication: A 2D flexible cobalt-MOF: reversible solid-state structural transformation, two-step and gate-opening adsorption behaviour and selective adsorption of C2H2 over CO2 and CH4
• Authors of publication: Wang, Shan-Shan; Liang, Yu-Jie; Guo, Wei; Yin, Yue; Li, Xiao-Yu; Xu, Quan-Qing; Zhu, Ai-Xin; Huang, Bo
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 22.3119 ± 0.0018 Å
• b: 24.2649 ± 0.0011 Å
• c: 22.5563 ± 0.0015 Å
• α: 90°
• β: 103.654 ± 0.006°
• γ: 90°
• Cell volume: 11866.8 ± 1.4 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.2276
• Residual factor for significantly intense reflections: 0.2126
• Weighted residual factors for significantly intense reflections: 0.4746
• Weighted residual factors for all reflections included in the refinement: 0.4801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No