Information card for entry 4515407

Structure parameters

• Formula: C9 H7 Co N4 O3.33
• Calculated formula: C9 H7 Co N4 O3.33333
• Title of publication: Additive-Induced Supramolecular Isomerism and Enhancement of Robustness in Co(II)-Based MOFs for Efficiently Trapping Acetylene from Acetylene-Containing Mixtures.
• Authors of publication: Ye, Yingxiang; Chen, Shimin; Chen, Liangji; Huang, Jitao; Ma, Zhenlin; Li, Ziyin; Yao, Zizhu; Zhang, Jindan; Zhang, Zhangjing; Xiang, Shengchang
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2018
• Journal volume: 10
• Journal issue: 36
• Pages of publication: 30912 - 30918
• a: 15.4117 ± 0.0005 Å
• b: 15.4117 ± 0.0005 Å
• c: 20.0413 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4122.5 ± 0.2 ų
• Cell temperature: 292.53 ± 0.1 K
• Ambient diffraction temperature: 292.53 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0995
• Residual factor for significantly intense reflections: 0.0898
• Weighted residual factors for significantly intense reflections: 0.2438
• Weighted residual factors for all reflections included in the refinement: 0.258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No