Information card for entry 7108410

Structure parameters

• Formula: C60 H80 N9 O23 Zn4
• Calculated formula: C34 H16 O15 Zn4
• Title of publication: Controllable synthesis of a non-interpenetrating microporous metal-organic framework based on octahedral cage-like building units for highly efficient reversible adsorption of iodine
• Authors of publication: Zhongmin Su; Ya-Qian Lan; Wen-Wen He
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 10001
• a: 10.283 ± 0.0011 Å
• b: 27.339 ± 0.003 Å
• c: 27.246 ± 0.0016 Å
• α: 90°
• β: 92.806 ± 0.002°
• γ: 90°
• Cell volume: 7650.4 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 0.777
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No