Information card for entry 4515315

Structure parameters

• Formula: C93 H54 O41 Zr6
• Calculated formula: C93 H54 O41 Zr6
• Title of publication: Tuning Water Sorption in Highly Stable Zr(IV)-Metal-Organic Frameworks through Local Functionalization of Metal Clusters.
• Authors of publication: Zhang, Yong-Zheng; He, Tao; Kong, Xiang-Jing; Lv, Xiu-Liang; Wu, Xue-Qian; Li, Jian-Rong
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2018
• Journal volume: 10
• Journal issue: 33
• Pages of publication: 27868 - 27874
• a: 32.8463 ± 0.0004 Å
• b: 32.8463 ± 0.0004 Å
• c: 32.8463 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 35437.2 ± 0.7 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 212
• Hermann-Mauguin space group symbol: P 43 3 2
• Hall space group symbol: P 4acd 2ab 3
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No