Information card for entry 7702944

Structure parameters

• Common name: Zinc (imdazolate, benzimidazolate, 5-methyl-benzimidazolate) solid solution
• Chemical name: ZIF-UC-1a
• Formula: C18.84 H22.06 N8.92 O0.92 Zn2
• Calculated formula: C18.829 H12.138 N8.912 O0.912 Zn2
• Title of publication: Relating structural disorder and melting in complex mixed ligand zeolitic imidazolate framework glasses.
• Authors of publication: Ríos Gómez, María Laura; Lampronti, Giulio Isacco; Yang, Yongjian; Mauro, John C.; Bennett, Thomas Douglas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 3
• Pages of publication: 850 - 857
• a: 15.7365 ± 0.0004 Å
• b: 16.0434 ± 0.0004 Å
• c: 18.6754 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4714.9 ± 0.2 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: 0.0771
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.2121
• Weighted residual factors for all reflections included in the refinement: 0.2261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No