Information card for entry 7122189

Structure parameters

• Formula: C63 H101 N Na2 O64 S8 Y2
• Calculated formula: C63 H69 N Na2.00333 O63.97 S8 Y2
• Title of publication: Phase dependent structural perturbation of a robust multicomponent assembled icosahedral array.
• Authors of publication: Ling, Irene; Kumari, Harshita; Mirzamani, Marzieh; Sobolev, Alexandre N.; Garvey, Christopher J.; Atwood, Jerry L.; Raston, Colin L.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 77
• Pages of publication: 10824 - 10827
• a: 47.5183 ± 0.0006 Å
• b: 47.5183 Å
• c: 25.9584 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 50761 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.107
• Residual factor for significantly intense reflections: 0.0979
• Weighted residual factors for significantly intense reflections: 0.2801
• Weighted residual factors for all reflections included in the refinement: 0.29
• Goodness-of-fit parameter for all reflections included in the refinement: 1.319
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No