Information card for entry 1558863

Structure parameters

• Formula: C30 H54 Au3 Co2 N6 Na3.33 O45 S6
• Calculated formula: C30 H54 Au3 Co2 N6 Na3.33333 O43 S6
• Title of publication: Self-assembly of Cyclic Hexamers of γ-Cyclodextrin in a Metallosupramolecular Framework with D-Penicillamine
• Authors of publication: Somsri, Supattra; Kuwamura, Naoto; Kojima, Tatsuhiro; Yoshinari, Nobuto; Konno, Takumi
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 41.171 ± 0.005 Å
• b: 41.171 ± 0.005 Å
• c: 41.171 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 69787 ± 15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 199
• Hermann-Mauguin space group symbol: I 21 3
• Hall space group symbol: I 2b 2c 3
• Residual factor for all reflections: 0.1915
• Residual factor for significantly intense reflections: 0.097
• Weighted residual factors for significantly intense reflections: 0.2577
• Weighted residual factors for all reflections included in the refinement: 0.3054
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No