Information card for entry 7240461

Structure parameters

• Common name: ZIF-76 mbIm
• Chemical name: Zn(Im)1.20(ClFbIm)0.80
• Formula: C240 H220.8 N96 O8 Zn24
• Calculated formula: C10.079 H5.58 N4 O0.333333 Zn
• Title of publication: Investigating the Melting Behaviour of Polymorphic Zeolitic Imidazolate Frameworks
• Authors of publication: Bumstead, Alice M.; Gómez, María Laura Ríos; Thorne, Michael Francis; Sapnik, Adam F.; Longley, Louis; Tuffnell, Joshua Mark; Keeble, Dean S.; Keen, David A.; Bennett, Thomas Douglas
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 22.684 ± 0.0006 Å
• b: 22.684 ± 0.0006 Å
• c: 22.684 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11672.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 215
• Hermann-Mauguin space group symbol: P -4 3 m
• Hall space group symbol: P -4 2 3
• Residual factor for all reflections: 0.1424
• Residual factor for significantly intense reflections: 0.1156
• Weighted residual factors for significantly intense reflections: 0.2989
• Weighted residual factors for all reflections included in the refinement: 0.3534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.365
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No