Information card for entry 4126184

Structure parameters

• Common name: ZIF-303
• Formula: C7.5 H4 Cl0.5 N4.25 O0.5 Zn
• Calculated formula: C7.5 H4 Cl0.5 N4.25 O0.5 Zn
• 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: 26.9457 ± 0.0015 Å
• b: 26.9457 ± 0.0015 Å
• c: 26.763 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 16828.5 ± 1.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.2176
• Residual factor for significantly intense reflections: 0.1247
• Weighted residual factors for significantly intense reflections: 0.3101
• Weighted residual factors for all reflections included in the refinement: 0.4031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No