Information card for entry 7129413

Structure parameters

• Formula: C90 H48 O27 Zn8
• Calculated formula: C90 H48 O27 Zn8
• Title of publication: Design of a MOF based on octa-nuclear zinc clusters realizing both thermal stability and structural flexibility
• Authors of publication: Ma, Yunsheng; Tang, Xiaoyan; Chen, Ming; Mishima, Akio; Li, Liangchun; Hori, Akihiro; Wu, Xiaoyu; Ding, Lifeng; Kusaka, Shinpei; Matsuda, Ryotaro
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 23.159 ± 0.003 Å
• b: 23.159 ± 0.003 Å
• c: 70.11 ± 0.014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 32565 ± 9 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.1521
• Residual factor for significantly intense reflections: 0.1464
• Weighted residual factors for significantly intense reflections: 0.3804
• Weighted residual factors for all reflections included in the refinement: 0.3839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No