Information card for entry 4130562

Structure parameters

• Formula: C39 H70 Au2 Ca Cl2 Cu6 N6 O27 S6
• Calculated formula: C39 H48 Au1.9998 Ca Cl2.0001 Cu6 N6 O27 S6
• Title of publication: Selective Gold Recovery and Catalysis in a Highly Flexible Methionine-Decorated Metal-Organic Framework.
• Authors of publication: Mon, Marta; Ferrando-Soria, Jesús; Grancha, Thais; Fortea-Pérez, Francisco R; Gascon, Jorge; Leyva-Pérez, Antonio; Armentano, Donatella; Pardo, Emilio
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 25
• Pages of publication: 7864 - 7867
• a: 17.7487 ± 0.0012 Å
• b: 17.7487 ± 0.0012 Å
• c: 12.695 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3463.4 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 9
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.1772
• Residual factor for significantly intense reflections: 0.1162
• Weighted residual factors for significantly intense reflections: 0.3188
• Weighted residual factors for all reflections included in the refinement: 0.3687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No