Information card for entry 7048367

Structure parameters

• Formula: C37 H49 Cl2 N17 Ni2 O9
• Calculated formula: C28 H20 Cl N14 Ni2 O6
• Title of publication: Two ultramicroporous metal-organic frameworks assembled from binuclear secondary building units for highly selective CO₂/N₂ separation.
• Authors of publication: Liu, Shuang; Yao, Shuo; Liu, Bing; Sun, Xiaodong; Yuan, Yang; Li, Guanghua; Zhang, Lirong; Liu, Yunling
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 5
• Pages of publication: 1680 - 1685
• a: 17.031 ± 0.002 Å
• b: 17.031 ± 0.002 Å
• c: 17.184 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4984.3 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 136
• Hermann-Mauguin space group symbol: P 42/m n m
• Hall space group symbol: -P 4n 2n
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No