Information card for entry 4134162

Structure parameters

• Common name: ZIF-UC-4
• Chemical name: Zn(Im)1.66(FbIm)0.34
• Formula: C14.73 H12 F0.68 N8 Zn2
• Calculated formula: C14.728 H12.682 F0.682 N8 Zn2
• Title of publication: Halogenated Metal-Organic Framework Glasses and Liquids.
• Authors of publication: Hou, Jingwei; Rios, Laura; Krajnc, Andraž; McCaul, Aoife; Li, Shichun; Bumstead, Alice; Sapnik, Adam; Deng, Zeyu; Lin, Rijia; Chater, Philip A.; Keeble, Dean S.; Keen, David A.; Appadoo, Dominique; Chan, Bun; Chen, Vicki; Mali, Gregor; Bennett, Thomas D.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 15.697 ± 0.0008 Å
• b: 15.9694 ± 0.001 Å
• c: 17.9282 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4494.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1017
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1901
• Weighted residual factors for all reflections included in the refinement: 0.2174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No