Information card for entry 7122360

Structure parameters

• Formula: C78 H66 Cu3 O15
• Calculated formula: C78 H66 Cu3 O15
• 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: 36.295 ± 0.0019 Å
• b: 25.304 ± 0.0008 Å
• c: 20.4575 ± 0.0006 Å
• α: 90°
• β: 116.08 ± 0.004°
• γ: 90°
• Cell volume: 16875.3 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1857
• Residual factor for significantly intense reflections: 0.1466
• Weighted residual factors for significantly intense reflections: 0.404
• Weighted residual factors for all reflections included in the refinement: 0.449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.72
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No