Information card for entry 4125223

Structure parameters

• Formula: C72 H139 Au0.89 Br3.76 Cs1.1 O69.5
• Calculated formula: C72 H139.01 Au0.885 Br3.761 Cs1.102 O69.505
• Title of publication: Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.
• Authors of publication: Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 36
• Pages of publication: 11643 - 11653
• a: 16.3326 ± 0.0007 Å
• b: 14.2587 ± 0.0006 Å
• c: 23.6886 ± 0.0009 Å
• α: 90°
• β: 90.021 ± 0.002°
• γ: 90°
• Cell volume: 5516.6 ± 0.4 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: 0.0581
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1582
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No