Information card for entry 7720419

Structure parameters

• Formula: C23.5 H21.5 Mg2 N6.5 O10.5 S2
• Calculated formula: C16 H4 Mg2 N4 O8 S2
• Title of publication: Functionalization of benzothiadiazole in magnesium-based metal-organic framework for C₂H₂/CO₂ separation.
• Authors of publication: Sun, Haiyi; Liu, Yunlei; Sun, Meng; Gao, Fei; Feng, Xueying; Xu, Mingming; Wang, Xiaokang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 2036 - 2040
• a: 19.58922 ± 0.00016 Å
• b: 19.58922 ± 0.00016 Å
• c: 14.53473 ± 0.00018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5577.52 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No