Information card for entry 7703287

Structure parameters

• Formula: C98 H117 Cl16 Cu12 N65 O17
• Calculated formula: C84 H96 Cl16 Cu12 N58 O17
• 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: 60.7581 ± 0.0003 Å
• b: 60.7581 ± 0.0003 Å
• c: 60.7581 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 224291 ± 1.9 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 226
• Hermann-Mauguin space group symbol: F m -3 c
• Hall space group symbol: -F 4a 2 3
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No