Information card for entry 1548330

Structure parameters

• Formula: C72 H115 Au Cl4 K O68
• Calculated formula: C72 H115 Au Cl4 K O68
• 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: 16.2732 ± 0.0009 Å
• b: 14.186 ± 0.0008 Å
• c: 23.6996 ± 0.0012 Å
• α: 90°
• β: 90.041 ± 0.004°
• γ: 90°
• Cell volume: 5471.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1064
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1694
• Weighted residual factors for all reflections included in the refinement: 0.1867
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No