Information card for entry 4130270

Structure parameters

• Formula: C40 H28 O16 Zr3
• Calculated formula: C40 H28 O16 Zr3
• Title of publication: Highly Stable Zr(IV)-Based Metal-Organic Frameworks for the Detection and Removal of Antibiotics and Organic Explosives in Water.
• Authors of publication: Wang, Bin; Lv, Xiu-Liang; Feng, Dawei; Xie, Lin-Hua; Zhang, Jian; Li, Ming; Xie, Yabo; Li, Jian-Rong; Zhou, Hong-Cai
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 19
• Pages of publication: 6204 - 6216
• a: 28.1991 ± 0.0007 Å
• b: 28.1991 ± 0.0007 Å
• c: 28.1991 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 22423.6 ± 1 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Residual factor for all reflections: 0.119
• Residual factor for significantly intense reflections: 0.0958
• Weighted residual factors for significantly intense reflections: 0.2508
• Weighted residual factors for all reflections included in the refinement: 0.271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No