Information card for entry 7029056

Structure parameters

• Formula: C5 H10 N8 O Zn
• Calculated formula: C4 H5.5 N8 Zn
• Title of publication: Tetrahedral tetrazolate frameworks for high CO2 and H2 uptake.
• Authors of publication: Wang, Fei; Hou, Duan-Chuan; Yang, Hui; Kang, Yao; Zhang, Jian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 8
• Pages of publication: 3210 - 3214
• a: 15.6799 ± 0.0014 Å
• b: 18.1616 ± 0.0012 Å
• c: 9.6615 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2751.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 40
• Hermann-Mauguin space group symbol: A m a 2
• Hall space group symbol: A 2 -2a
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No