Information card for entry 4126000

Structure parameters

• Common name: ZIF-615
• Formula: C40 H23 Cl4 N20 O8 Zn4
• Calculated formula: C40 H23 Cl4 N20 O8 Zn4
• 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: 31.731 ± 0.006 Å
• b: 31.731 ± 0.006 Å
• c: 28.412 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 24774 ± 8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.2577
• Residual factor for significantly intense reflections: 0.1933
• Weighted residual factors for significantly intense reflections: 0.4933
• Weighted residual factors for all reflections included in the refinement: 0.55
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.8999 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No