Information card for entry 7122361

Structure parameters

• Formula: C150 H103 Cl12 Cu6 O24
• Calculated formula: C150 H103 Cl12 Cu6 O24
• Title of publication: Cu₃L₂ metal-organic cages for A³-coupling reactions: reversible coordination interaction triggered homogeneous catalysis and heterogeneous recovery.
• Authors of publication: Chen, Gong-Jun; Chen, Chao-Qun; Li, Xue-Tian; Ma, Hui-Chao; Dong, Yu-Bin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 82
• Pages of publication: 11550 - 11553
• a: 19.5003 ± 0.001 Å
• b: 22.2603 ± 0.0015 Å
• c: 22.4658 ± 0.0013 Å
• α: 62.026 ± 0.006°
• β: 88.05 ± 0.004°
• γ: 65.547 ± 0.006°
• Cell volume: 7682.9 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.2475
• Residual factor for significantly intense reflections: 0.17
• Weighted residual factors for significantly intense reflections: 0.4702
• Weighted residual factors for all reflections included in the refinement: 0.3176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.625
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No