Information card for entry 4126002

Structure parameters

• Common name: ZIF-413
• Formula: C33.5 H26.49 N13.81 O3.63 Zn3
• Calculated formula: C33.5 H26.4875 N13.8125 O3.625 Zn3
• Title of publication: Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks.
• Authors of publication: Yang, Jingjing; Zhang, Yue-Biao; Liu, Qi; Trickett, Christopher A.; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Cong, Hengjiang; Aldossary, Abdulrahman; Deng, Hexiang; Yaghi, Omar M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 18
• Pages of publication: 6448 - 6455
• a: 72.3673 ± 0.0014 Å
• b: 72.3673 ± 0.0014 Å
• c: 72.3673 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 378989 ± 13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.117
• Residual factor for significantly intense reflections: 0.1032
• Weighted residual factors for significantly intense reflections: 0.3171
• Weighted residual factors for all reflections included in the refinement: 0.3434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.2399 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No