Information card for entry 4517684

Structure parameters

• Formula: C382 H216 Cu24 N24 O144
• Calculated formula: C382 H216 Cu24 N24 O144
• 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: 26.9144 ± 0.0009 Å
• b: 28.3903 ± 0.0009 Å
• c: 33.0223 ± 0.0011 Å
• α: 112.573 ± 0.002°
• β: 110.846 ± 0.002°
• γ: 91.041 ± 0.002°
• Cell volume: 21421.3 ± 1.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1785
• Residual factor for significantly intense reflections: 0.1385
• Weighted residual factors for significantly intense reflections: 0.3842
• Weighted residual factors for all reflections included in the refinement: 0.4418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.814
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No