Information card for entry 7063225

Structure parameters

• Common name: Zn-adc-tpt
• Chemical name: Zn-adc-tpt
• Formula: C66 H39 N6 O13 Zn3
• Calculated formula: C66 H39 N6 O13 Zn3
• Title of publication: A pacs-type metal–organic framework with high adsorption capacity for inverse C2H6/C2H4 separation
• Authors of publication: Zhang, Kuo; Pang, Jing-Jing; Lian, Xin; Song, Zi-Han; Yuan, Yue-Chao; Huang, Hongliang; Yao, Zhao-Quan; Xu, Jian
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 23
• Pages of publication: 10577 - 10583
• a: 16.737 ± 0.0002 Å
• b: 16.737 ± 0.0002 Å
• c: 15.8689 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3849.75 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No