Information card for entry 4517681

Structure parameters

• Formula: C248 H112 Cr24 N24 O104
• Calculated formula: C248 H112 Cr24 N24 O104
• 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: 28.3898 ± 0.0014 Å
• b: 28.3898 ± 0.0014 Å
• c: 40.953 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 33007 ± 3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 128
• Hermann-Mauguin space group symbol: P 4/m n c
• Hall space group symbol: -P 4 2n
• Residual factor for all reflections: 0.2593
• Residual factor for significantly intense reflections: 0.1929
• Weighted residual factors for significantly intense reflections: 0.4657
• Weighted residual factors for all reflections included in the refinement: 0.5391
• Goodness-of-fit parameter for all reflections included in the refinement: 2.11
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No