Information card for entry 4128035

Structure parameters

• Formula: C40 H22 O16 Zr3
• Calculated formula: C40 H22 O16 Zr3
• Title of publication: Ligand Rigidification for Enhancing the Stability of Metal-Organic Frameworks.
• Authors of publication: Lv, Xiu-Liang; Yuan, Shuai; Xie, Lin-Hua; Darke, Hannah F.; Chen, Ya; He, Tao; Dong, Chen; Wang, Bin; Zhang, Yong-Zheng; Li, Jian-Rong; Zhou, Hong-Cai
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 26
• Pages of publication: 10283 - 10293
• a: 19.721 ± 0.005 Å
• b: 31.9499 ± 0.0015 Å
• c: 34.865 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21968 ± 6 ų
• Cell temperature: 99.97 ± 0.14 K
• Ambient diffraction temperature: 99.97 ± 0.14 K
• Number of distinct elements: 4
• Space group number: 69
• Hermann-Mauguin space group symbol: F m m m
• Hall space group symbol: -F 2 2
• Residual factor for all reflections: 0.141
• Residual factor for significantly intense reflections: 0.1076
• Weighted residual factors for significantly intense reflections: 0.2795
• Weighted residual factors for all reflections included in the refinement: 0.3029
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No