Information card for entry 7109550

Structure parameters

• Formula: C54 H34 N2 O18 Zn3
• Calculated formula: C54 H30 N2 O18 Zn3
• Title of publication: A microporous metal-organic open framework containing uncoordinated carbonyl groups as postsynthetic modification sites for cation exchange and Tb3+ sensing
• Authors of publication: Jianwei Cao; Yanfei Gao; Yanqin Wang; Chunfang Du; Zhiliang Liu
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 6897
• a: 10.2304 ± 0.0013 Å
• b: 10.5293 ± 0.0013 Å
• c: 13.0853 ± 0.0014 Å
• α: 100.836 ± 0.01°
• β: 90.736 ± 0.009°
• γ: 113.42 ± 0.012°
• Cell volume: 1264.3 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.155
• Residual factor for significantly intense reflections: 0.0847
• Weighted residual factors for significantly intense reflections: 0.1663
• Weighted residual factors for all reflections included in the refinement: 0.2144
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No