Information card for entry 7126984

Structure parameters

• Formula: C42 H40 N2 O16 Zr3
• Calculated formula: C42 H40 N2 O16 Zr3
• Title of publication: Optimizing zirconium metal-organic frameworks through steric tuning for efficient removal of Cr₂O₇².
• Authors of publication: Zhang, Xiurong; Fan, Weidong; Fu, Mingyue; Jiang, Weifeng; Lu, Kebin; Wang, Yutong; Sun, Daofeng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 72
• Pages of publication: 10513 - 10516
• a: 20.717 ± 0.002 Å
• b: 31.9589 ± 0.0011 Å
• c: 34.5056 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 22846 ± 2 ų
• Cell temperature: 150.04 ± 0.1 K
• Ambient diffraction temperature: 150.04 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.1198
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1597
• Weighted residual factors for all reflections included in the refinement: 0.1918
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No