Information card for entry 4125144

Structure parameters

• Formula: C83 H65 O32 Zr6
• Calculated formula: C83 H65 O32 Zr6
• Title of publication: Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.
• Authors of publication: Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 28
• Pages of publication: 8912 - 8919
• a: 34.29 ± 0.03 Å
• b: 34.293 Å
• c: 14.665 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17245 ± 2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 136
• Hermann-Mauguin space group symbol: P 42/m n m
• Hall space group symbol: -P 4n 2n
• Residual factor for all reflections: 0.2183
• Residual factor for significantly intense reflections: 0.095
• Weighted residual factors for significantly intense reflections: 0.1906
• Weighted residual factors for all reflections included in the refinement: 0.2166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No