Information card for entry 4517688

Structure parameters

• Formula: C338 H192 Cu24 N24 O158
• Calculated formula: C338 H192 Cu24 N24 O158
• Title of publication: Tuning the Porosity, Solubility, and Gas-Storage Properties of Cuboctahedral Coordination Cages via Amide or Ester Functionalization.
• Authors of publication: Taggart, Garrett A.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 22
• Pages of publication: 24913 - 24919
• a: 28.755 ± 0.006 Å
• b: 36.718 ± 0.007 Å
• c: 37.195 ± 0.007 Å
• α: 90°
• β: 102.779 ± 0.008°
• γ: 90°
• Cell volume: 38299 ± 13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2359
• Residual factor for significantly intense reflections: 0.1424
• Weighted residual factors for significantly intense reflections: 0.3741
• Weighted residual factors for all reflections included in the refinement: 0.4389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.394
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No