Information card for entry 1558866

Structure parameters

• Formula: C378 H613 Au9 Co6 N18 Na10 O301.5 S18
• Calculated formula: C378 H613 Au9 Co6 N18 Na10 O301.5 S18
• 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: 48.57 ± 0.008 Å
• b: 28.05 ± 0.008 Å
• c: 52.051 ± 0.01 Å
• α: 90 ± 0.04°
• β: 97.93 ± 0.04°
• γ: 90 ± 0.03°
• Cell volume: 70236 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1974
• Residual factor for significantly intense reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.1746
• Weighted residual factors for all reflections included in the refinement: 0.2033
• Goodness-of-fit parameter for all reflections included in the refinement: 0.866
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No