Information card for entry 7713210

Structure parameters

• Formula: C65 H62 Co3 N7 O17.5
• 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: 23.078 ± 0.005 Å
• b: 23.525 ± 0.005 Å
• c: 27.05 ± 0.012 Å
• α: 90°
• β: 106.21 ± 0.03°
• γ: 90°
• Cell volume: 14102 ± 8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1104
• Residual factor for significantly intense reflections: 0.0913
• Weighted residual factors for significantly intense reflections: 0.2501
• Weighted residual factors for all reflections included in the refinement: 0.2649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No