Information card for entry 7703825

Structure parameters

• Formula: C7 H4 N6 Zn
• Calculated formula: C7 H2 N6 Zn
• Title of publication: Adjustment of the performance and stability of isostructural zeolitic tetrazolate-imidazolate frameworks.
• Authors of publication: Li, Hai-Zhen; Du, Dong-Ying; Sun, Yayong; Wang, Fei; Zhang, Jian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 15
• Pages of publication: 4690 - 4693
• a: 17.0183 ± 0.0005 Å
• b: 17.0183 ± 0.0005 Å
• c: 17.0183 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4928.9 ± 0.3 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.0258
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No