Information card for entry 7029058

Structure parameters

• Formula: C9 H15 N9 O Zn
• Calculated formula: C9 H15 N9 O 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: 12.989 ± 0.002 Å
• b: 13.8218 ± 0.0009 Å
• c: 9.2766 ± 0.0012 Å
• α: 90°
• β: 124.43 ± 0.02°
• γ: 90°
• Cell volume: 1373.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 0.817
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No