Information card for entry 7703288

Structure parameters

• Formula: C36 H32 Cu3 N38 O2
• Calculated formula: C30 H18 Cu3 N36
• 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: 9.2798 ± 0.0016 Å
• b: 12.302 ± 0.002 Å
• c: 12.377 ± 0.002 Å
• α: 61.304 ± 0.003°
• β: 86.912 ± 0.003°
• γ: 88.272 ± 0.004°
• Cell volume: 1237.6 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0943
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 0.886
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No