Information card for entry 4515349

Structure parameters

• Formula: C42 H21 N3 O16 Zr3
• Calculated formula: C42 H21 N3 O16 Zr3
• Title of publication: Zr(IV)-Based Metal-Organic Framework with T-Shaped Ligand: Unique Structure, High Stability, Selective Detection, and Rapid Adsorption of Cr₂O₇^2- in Water.
• Authors of publication: He, Tao; Zhang, Yong-Zheng; Kong, Xiang-Jing; Yu, Jiamei; Lv, Xiu-Liang; Wu, Yufeng; Guo, Zhen-Ji; Li, Jian-Rong
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2018
• Journal volume: 10
• Journal issue: 19
• Pages of publication: 16650 - 16659
• a: 23.3072 ± 0.0003 Å
• b: 23.3072 ± 0.0003 Å
• c: 21.8206 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10265.4 ± 0.5 ų
• Cell temperature: 173.01 ± 0.1 K
• Ambient diffraction temperature: 173.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 186
• Hermann-Mauguin space group symbol: P 63 m c
• Hall space group symbol: P 6c -2c
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1909
• Weighted residual factors for all reflections included in the refinement: 0.2088
• Goodness-of-fit parameter for all reflections included in the refinement: 0.829
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No