Information card for entry 7131720

Structure parameters

• Formula: C374 H550 Co16 N74 O134 S16
• Calculated formula: C224 H200 Co16 N24 O84 S16
• Title of publication: Rapid Post-Synthetic Modification of Porous Coordination Cages with Copper-Catalyzed Click Chemistry
• Authors of publication: Dworzak, Michael; Montone, Christine M.; Halaszynski, Nicole Irene; Yap, Glenn P. A.; Kloxin, Christopher; Bloch, Eric D.
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 20.646 ± 0.003 Å
• b: 20.661 ± 0.003 Å
• c: 27.97 ± 0.004 Å
• α: 96.343 ± 0.005°
• β: 92.698 ± 0.005°
• γ: 112.58 ± 0.005°
• Cell volume: 10897 ± 3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.212
• Residual factor for significantly intense reflections: 0.1419
• Weighted residual factors for significantly intense reflections: 0.3661
• Weighted residual factors for all reflections included in the refinement: 0.3988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No