Information card for entry 7049139

Structure parameters

• Formula: C25 H21 Cd N6 O5.5 S2
• Calculated formula: C22 H13 Cd N5 O4 S2
• 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: 13.5652 ± 0.0001 Å
• b: 14.4023 ± 0.0001 Å
• c: 13.9352 ± 0.0001 Å
• α: 90°
• β: 100.804 ± 0.001°
• γ: 90°
• Cell volume: 2674.26 ± 0.03 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No