Information card for entry 4134957

Structure parameters

• Formula: C300 H348 Cu24 N36 O204 S24
• Calculated formula: C300 H348 Cu24 N36 O204 S24
• Title of publication: A Charged Coordination Cage-Based Porous Salt.
• Authors of publication: Gosselin, Eric J.; Decker, Gerald E.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 21
• Pages of publication: 9594 - 9598
• a: 35.9458 ± 0.0006 Å
• b: 35.9458 ± 0.0006 Å
• c: 28.285 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 36547.1 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1094
• Residual factor for significantly intense reflections: 0.0924
• Weighted residual factors for significantly intense reflections: 0.2624
• Weighted residual factors for all reflections included in the refinement: 0.298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No