Information card for entry 7237662

Structure parameters

• Formula: C30 H36 N2 Ni2 O8
• Calculated formula: C30 H36 N2 Ni2 O8
• Title of publication: Pore environment engineering in metal‒organic frameworks for efficient ethane/ethylene separation
• Authors of publication: Wang, Xun; Niu, Zheng; Al-Enizi, Abdullah M.; Nafady, Ayman; Wu, Yufang; Aguila, Briana; Verma, Gaurav; Wojtas, Lukasz; Chen, Yu-Sheng; Li, Zhong; Ma, Shengqian
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 22
• Pages of publication: 13585
• a: 10.85 ± 0.0007 Å
• b: 10.85 ± 0.0007 Å
• c: 9.2239 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1085.86 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 123
• Hermann-Mauguin space group symbol: P 4/m m m
• Hall space group symbol: -P 4 2
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No