Information card for entry 4134160

Structure parameters

• Common name: ZIF-UC-3
• Chemical name: Zn(Im)1.81(ClmbIm)0.19
• Formula: C16.22 H18.58 Cl0.38 N8.78 O0.78 Zn2
• Calculated formula: C16.215 H17.46 Cl0.375 N8.78 O0.78 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: 15.8749 ± 0.0006 Å
• b: 16.2805 ± 0.0006 Å
• c: 18.0681 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4669.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1257
• Residual factor for significantly intense reflections: 0.0968
• Weighted residual factors for significantly intense reflections: 0.295
• Weighted residual factors for all reflections included in the refinement: 0.3257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.205
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No