Information card for entry 7115716

Structure parameters

• Formula: C9 H4 N4 Zn
• Calculated formula: C9 H5 N4 Zn
• Title of publication: A new approach towards zeolitic tetrazolate-imidazolate frameworks (ZTIFs) with uncoordinated N-heteroatom sites for high CO2 uptake
• Authors of publication: Fei Wang; Hong-Ru Fu; Yao Kang; Jian Zhang
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 12065
• a: 16.9615 ± 0.0003 Å
• b: 16.9615 ± 0.0003 Å
• c: 16.9615 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4879.7 ± 0.15 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 217
• Hermann-Mauguin space group symbol: I -4 3 m
• Hall space group symbol: I -4 2 3
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No