Information card for entry 4346496

Structure parameters

• Formula: C7 H4 N0 O2 Zn0.5
• Calculated formula: C7 H4 O2 Zn0.5
• Title of publication: A Highly Stable Nanotubular MOF Rotator for Selective Adsorption of Benzene and Separation of Xylene Isomers.
• Authors of publication: Huang, Wei; Jiang, Jun; Wu, Dayu; Xu, Jun; Xue, Bing; Kirillov, Alexander M.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 22
• Pages of publication: 10524 - 10526
• a: 28.684 ± 0.003 Å
• b: 28.684 ± 0.003 Å
• c: 8.178 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5827.2 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.0974
• Residual factor for significantly intense reflections: 0.0949
• Weighted residual factors for significantly intense reflections: 0.2062
• Weighted residual factors for all reflections included in the refinement: 0.2075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No