Information card for entry 4132937

Structure parameters

• Formula: C600 H396 Cd12 F72 N84 O120 Rh12 S24
• Calculated formula: C576 H396 Cd12 N84 O48 Rh12
• Title of publication: Otherwise Unstable Structures Self-Assemble in the Cavities of Cuboctahedral Coordination Cages.
• Authors of publication: Rizzuto, Felix J.; Ramsay, William J.; Nitschke, Jonathan R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 36
• Pages of publication: 11502 - 11509
• a: 37.6891 ± 0.0015 Å
• b: 37.6891 ± 0.0015 Å
• c: 37.6891 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 53536 ± 4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 8
• Space group number: 201
• Hermann-Mauguin space group symbol: P n -3 :2
• Hall space group symbol: -P 2ab 2bc 3
• Residual factor for all reflections: 0.158
• Residual factor for significantly intense reflections: 0.1231
• Weighted residual factors for significantly intense reflections: 0.3272
• Weighted residual factors for all reflections included in the refinement: 0.3559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No