Information card for entry 7057009

Structure parameters

• Formula: C38 H32 Au2 F2 P2 S2
• Calculated formula: C38 H32 Au2 F2 P2 S2
• Title of publication: Aurophilicity vs. thiophilicity: directing the crystalline supramolecular arrangement in luminescent gold compounds
• Authors of publication: Moreno-Alcántar, Guillermo; Romo-Islas, Guillermo; Flores-Álamo, Marcos; Torrens, Hugo
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 10
• Pages of publication: 7845
• a: 11.5947 ± 0.0005 Å
• b: 19.9982 ± 0.001 Å
• c: 15.8994 ± 0.0007 Å
• α: 90°
• β: 108.857 ± 0.005°
• γ: 90°
• Cell volume: 3488.8 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No