Information card for entry 7063122

Structure parameters

• Formula: C50 H47 Cd N7 O9
• Calculated formula: C50 H47 Cd N7 O9
• 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: 9.6497 ± 0.0003 Å
• b: 14.9391 ± 0.0006 Å
• c: 17.6401 ± 0.0005 Å
• α: 81.47 ± 0.003°
• β: 82.73 ± 0.002°
• γ: 89.221 ± 0.003°
• Cell volume: 2494.58 ± 0.15 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: 0.0401
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0946
• 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: Yes
• Has Fobs: No