Information card for entry 4132936

Structure parameters

• Formula: C840.6 H951.3 B264 Cd13 F6 N125.3 O56 Rh12 S2
• Calculated formula: C816.6 H936.21 B276 Cd13 F6 N125.3 O56 Rh12 S2
• 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: 52.809 ± 0.011 Å
• b: 37.841 ± 0.008 Å
• c: 55.765 ± 0.011 Å
• α: 90°
• β: 107.03 ± 0.03°
• γ: 90°
• Cell volume: 106551 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1419
• Residual factor for significantly intense reflections: 0.1161
• Weighted residual factors for significantly intense reflections: 0.3411
• Weighted residual factors for all reflections included in the refinement: 0.3745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No