Information card for entry 7063120

Structure parameters

• Formula: C45 H36 Cd N6 O8
• Calculated formula: C45 H36 Cd N6 O8
• Title of publication: Metal–organic frameworks constructed using acid–base mixed ligands, carboxylic acids and N-containing chalcone, and their catalytic performance for Knoevenagel condensation
• Authors of publication: Cheng, Limin; Zhang, Junyong; Zhan, Caihong; Xu, Hao; Gong, Chunhua; Xie, Jingli
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 19
• Pages of publication: 8597 - 8602
• a: 8.7214 ± 0.0009 Å
• b: 15.1141 ± 0.0014 Å
• c: 17.2898 ± 0.0019 Å
• α: 114.157 ± 0.01°
• β: 95.733 ± 0.009°
• γ: 94.009 ± 0.009°
• Cell volume: 2053.6 ± 0.4 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1078
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1514
• Weighted residual factors for all reflections included in the refinement: 0.183
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No