Information card for entry 7125860

Structure parameters

• Formula: C87 H39 N3 Ni3 O39 Tb3
• Calculated formula: C87 H39 N3 Ni3 O39 Tb3
• Title of publication: A highly robust heterometallic Tb^III/Ni^II-organic framework for C₂ hydrocarbon separation and capture.
• Authors of publication: Chen, Hongtai; Zhuang, Gui-Lin; Fan, Liming; Zhang, Xiutang; Gao, Lin-Na; Sun, Di
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 13
• Pages of publication: 2047 - 2050
• a: 47.989 ± 0.01 Å
• b: 47.989 ± 0.01 Å
• c: 13.297 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 26520 ± 10 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.1359
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.2292
• Weighted residual factors for all reflections included in the refinement: 0.2856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No