Information card for entry 4345568

Structure parameters

• Formula: C80 H64 N22 O17 Zn6
• Calculated formula: C76 H48 N20 O17 Zn6
• Title of publication: A Water-Stable Anionic Metal-Organic Framework Constructed from Columnar Zinc-Adeninate Units for Highly Selective Light Hydrocarbon Separation and Efficient Separation of Organic Dyes.
• Authors of publication: Ma, Hui-Fang; Liu, Qing-Yan; Wang, Yu-Ling; Yin, Shun-Gao
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 5
• Pages of publication: 2919 - 2925
• a: 25.8389 ± 0.0006 Å
• b: 25.8389 ± 0.0006 Å
• c: 21.5389 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14380.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 126
• Hermann-Mauguin space group symbol: P 4/n n c
• Hall space group symbol: -P 4a 2bc
• Residual factor for all reflections: 0.1181
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.2153
• Weighted residual factors for all reflections included in the refinement: 0.2392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No