Information card for entry 4001276

Structure parameters

• Common name: TIF-4
• Chemical name: TIF-4
• Formula: C11.5 H11 N4 Zn
• Calculated formula: C11.5 H11 N4 Zn
• Title of publication: New Zeolitic Imidazolate Frameworks: From Unprecedented Assembly of Cubic Clusters to Ordered Cooperative Organization of Complementary Ligands
• Authors of publication: Wu, Tao; Bu, Xianhui; Zhang, Jian; Feng, Pingyun
• Journal of publication: Chemistry of Materials
• Year of publication: 2008
• Journal volume: 20
• Journal issue: 24
• Pages of publication: 7377
• a: 15.6251 ± 0.0009 Å
• b: 16.3217 ± 0.0009 Å
• c: 18.1244 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4622.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0882
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.2216
• Weighted residual factors for all reflections included in the refinement: 0.2448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No