Information card for entry 7703289

Structure parameters

• Formula: C10 H6 Cu N12
• Calculated formula: C10 H6 Cu N12
• Title of publication: Tetrazole-based porous metal-organic frameworks for selective CO₂ adsorption and isomerization studies.
• Authors of publication: Zhang, Rui; Meng, De-Xian; Ge, Fa-Yuan; Huang, Jv-Hua; Wang, Li-Fei; Xv, Yong-Kai; Liu, Xing-Gui; Meng, Mei-Mei; Yan, Hong; Lu, Zhen-Zhong; Zheng, He-Gen; Huang, Wei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 7
• Pages of publication: 2145 - 2150
• a: 9.7153 ± 0.0014 Å
• b: 6.9002 ± 0.001 Å
• c: 9.9555 ± 0.0014 Å
• α: 90°
• β: 90.104 ± 0.003°
• γ: 90°
• Cell volume: 667.39 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No