Information card for entry 7122419

Structure parameters

• Formula: C152 H298 Br2 Cs4 N4 O94 Si6
• Calculated formula: C120 H78 Br1.7999 Cs4 O30 Si6
• Title of publication: Self-assembly of a Si-based cage by the formation of 24 equivalent covalent bonds.
• Authors of publication: Holmes, Jessica L.; Abrahams, Brendan F.; Ahveninen, Anna; Boughton, Berin A.; Hudson, Timothy A.; Robson, Richard; Thinagaran, Dinaiz
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 84
• Pages of publication: 11877 - 11880
• a: 27.7206 ± 0.0007 Å
• b: 27.7206 ± 0.0007 Å
• c: 27.7206 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21301.4 ± 0.9 ų
• Cell temperature: 130.01 ± 0.1 K
• Ambient diffraction temperature: 130.01 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 216
• Hermann-Mauguin space group symbol: F -4 3 m
• Hall space group symbol: F -4 2 3
• Residual factor for all reflections: 0.1083
• Residual factor for significantly intense reflections: 0.1023
• Weighted residual factors for significantly intense reflections: 0.2762
• Weighted residual factors for all reflections included in the refinement: 0.2864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.293
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No