Information card for entry 1548331

Structure parameters

• Formula: C84 H143 Au Br4 K O72
• Calculated formula: C84 H143 Au Br4 K O72
• Title of publication: Selective isolation of gold facilitated by second-sphere coordination with alpha-cyclodextrin
• Authors of publication: Zhichang Liu; Marco Frasconi; Juying Lei; Zachary J. Brown; Zhixue Zhu; Dennis Cao; Julien Iehl; Guoliang Liu; Albert C. Fahrenbach; Youssry Y. Botros; Omar K. Farha; Joseph T. Hupp; Chad A. Mirkin; J. Fraser Stoddart
• Journal of publication: Nature Communications
• Year of publication: 2013
• Journal volume: 4
• Pages of publication: 1855
• a: 15.8246 ± 0.0004 Å
• b: 24.5009 ± 0.0006 Å
• c: 19.0924 ± 0.0005 Å
• α: 90°
• β: 108.401 ± 0.001°
• γ: 90°
• Cell volume: 7024 ± 0.3 ų
• Cell temperature: 109 ± 2 K
• Ambient diffraction temperature: 109.15 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.08
• Weighted residual factors for significantly intense reflections: 0.218
• Weighted residual factors for all reflections included in the refinement: 0.2225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No