Information card for entry 4502405

Structure parameters

• Formula: C6 H10 N24 O2 Zn3
• Calculated formula: C6 H9.96 N24 O2 Zn3
• Title of publication: Three Coordination Polymers Based on 1H-Tetrazole (HTz) Generated via in Situ Decarboxylation: Synthesis, Structures, and Selective Gas Adsorption Properties
• Authors of publication: Zhong, Di-Chang; Lu, Wen-Guan; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 2
• Pages of publication: 739
• a: 9.4502 ± 0.0009 Å
• b: 9.4502 ± 0.0009 Å
• c: 6.3642 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 492.22 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No