Information card for entry 4125217

Structure parameters

• Formula: C84 H152 Au0.8 Cl3.2 Na0.8 O76
• Calculated formula: C84 H152 Au0.8 Cl3.2 Na0.8 O76
• SMILES: [C@H]12[C@@H]([C@H]([C@H](O[C@@H]1CO)O[C@H]1[C@@H]([C@@H](O)[C@H](O[C@@H]1CO)O[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1CO)O[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1CO)O[C@@H]1[C@@H](CO)O[C@@H]([C@H](O)[C@H]1O)O[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1CO)O[C@H]1[C@@H]([C@H]([C@@H](O2)O[C@@H]1CO)O)O)O)O)O)O)O)O)O)O)O.OC[C@H]1O[C@H]2[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@H](O)[C@H]1O)O[C@H]1O[C@@H]([C@@H](O[C@@H]3[C@H](O)[C@H]([C@@H]([C@@H](CO)O3)O[C@@H]3[C@@H]([C@H]([C@@H]([C@@H](CO)O3)O[C@@H]3[C@@H]([C@H]([C@@H]([C@@H](CO)O3)O[C@@H]3[C@@H]([C@H]([C@@H]([C@@H](CO)O3)O2)O)O)O)O)O)O)O)[C@H](O)[C@H]1O)CO.[Au](Cl)(Cl)(Cl)[Cl-].[Na+].O.O.O.O.O.O
• 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: 15.7324 ± 0.0009 Å
• b: 24.3405 ± 0.0013 Å
• c: 19.2739 ± 0.0012 Å
• α: 90°
• β: 108.952 ± 0.003°
• γ: 90°
• Cell volume: 6980.5 ± 0.7 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: 0.0475
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No