Information card for entry 7045851

Structure parameters

• Formula: C22 H11 N6 O8 Zn2
• Calculated formula: C22 H11 N6 O8 Zn2
• Title of publication: Functionalization of MOFs via a mixed-ligand strategy: enhanced CO₂ uptake by pore surface modification.
• Authors of publication: Liu, Bo; Zhou, Hui-Fang; Hou, Lei; Wang, Yao-Yu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 15
• Pages of publication: 5298 - 5303
• a: 28.127 ± 0.009 Å
• b: 34.868 ± 0.011 Å
• c: 17.705 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17364 ± 9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 69
• Hermann-Mauguin space group symbol: F m m m
• Hall space group symbol: -F 2 2
• Residual factor for all reflections: 0.0938
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.1942
• Weighted residual factors for all reflections included in the refinement: 0.2071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No