Information card for entry 4135635

Structure parameters

• Chemical name: Br
• Formula: C2.5 Br0.5 Cu0.5 N2
• Calculated formula: C2.5 Br0.5 Cu0.5 N2
• Title of publication: Scalable Room-Temperature Synthesis of Highly Robust Ethane-Selective Metal-Organic Frameworks for Efficient Ethylene Purification.
• Authors of publication: Geng, Shubo; Lin, En; Li, Xia; Liu, Wansheng; Wang, Ting; Wang, Zhifang; Sensharma, Debobroto; Darwish, Shaza; Andaloussi, Yassin H.; Pham, Tony; Cheng, Peng; Zaworotko, Michael J.; Chen, Yao; Zhang, Zhenjie
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2021
• Journal volume: 143
• Journal issue: 23
• Pages of publication: 8654 - 8660
• a: 11.0306 ± 0.0013 Å
• b: 8.6572 ± 0.0014 Å
• c: 10.0114 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 956 ± 0.3 ų
• Cell temperature: 120 ± 3 K
• Ambient diffraction temperature: 120 ± 3 K
• Number of distinct elements: 4
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No