Information card for entry 4135633

Structure parameters

• Chemical name: br-yx
• Formula: C2.75 H0.5 Br0.5 Cu0.5 N2
• Calculated formula: C2.75 H0.5 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: 10.9748 ± 0.0003 Å
• b: 8.5812 ± 0.0003 Å
• c: 10.0596 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 947.38 ± 0.06 ų
• Cell temperature: 120 ± 3 K
• Ambient diffraction temperature: 120 ± 3 K
• Number of distinct elements: 5
• 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: 0.0226
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections included in the refinement: 0.0547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No