Information card for entry 4349827

Structure parameters

• Formula: C6 H7 N7 O2 S Zn
• Calculated formula: C6 H7 N7 O2 S Zn
• Title of publication: Synthesis of zeolitic tetrazolate-imidazolate frameworks (ZTIFs) in ethylene glycol
• Authors of publication: Li, Min-Yu; Zhang, Hai-Xia; Wang, Fei; Zhang, Jian
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 3
• Pages of publication: 675
• a: 7.624 ± 0.002 Å
• b: 9.745 ± 0.003 Å
• c: 15.392 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1143.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0281
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections included in the refinement: 0.0478
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No