Information card for entry 7703161

Structure parameters

• Formula: C13.5 H N O2 Zn0.5
• Calculated formula: C13.5 H N O2 Zn0.5
• Title of publication: Two zinc metal-organic framework isomers based on pyrazine tetracarboxylic acid and dipyridinylbenzene for adsorption and separation of CO₂ and light hydrocarbons.
• Authors of publication: Ye, Yu; Du, Jianfeng; Sun, Libo; Liu, Yuchuan; Wang, Shun; Song, Xiaowei; Liang, Zhiqiang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 4
• Pages of publication: 1135 - 1142
• a: 11.6989 ± 0.0003 Å
• b: 15.373 ± 0.0004 Å
• c: 18.3406 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3298.51 ± 0.16 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 51
• Hermann-Mauguin space group symbol: P m m a
• Hall space group symbol: -P 2a 2a
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1609
• Weighted residual factors for all reflections included in the refinement: 0.1687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No