Information card for entry 7049138

Structure parameters

• Formula: C25 H20 N6 O5 S2 Zn
• Calculated formula: C25 H20 N6 O5 S2 Zn
• Title of publication: Amino functionalized Zn/Cd-metal-organic frameworks for selective CO₂ adsorption and Knoevenagel condensation reactions.
• Authors of publication: Zhai, Zhi-Wei; Yang, Shuang-Hua; Lv, Ya-Ru; Du, Chen-Xia; Li, Lin-Ke; Zang, Shuang-Quan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 12
• Pages of publication: 4007 - 4014
• a: 18.5564 ± 0.0002 Å
• b: 17.2237 ± 0.0002 Å
• c: 16.5743 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5297.31 ± 0.11 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No