Information card for entry 7717425

Structure parameters

• Formula: C38 H33 N4 Ni3 O13
• Calculated formula: C38 H33 N4 Ni3 O13
• Title of publication: Two amino-functionalized metal-organic frameworks with different topologies for C₂H₂/C₂H₄ separation.
• Authors of publication: Li, Yue; Xu, Mingming; Liu, Hongyan; Wang, Xiaokang; Wang, Yutong; Sun, Meng; Fan, Weidong; Sun, Daofeng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 45
• Pages of publication: 18094 - 18098
• a: 23.5121 ± 0.0012 Å
• b: 23.5121 ± 0.0012 Å
• c: 38.3738 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 18371.7 ± 1.4 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1623
• Weighted residual factors for all reflections included in the refinement: 0.185
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No