Information card for entry 7057010

Structure parameters

• Formula: C80 H64 Au4 F12 P4 S4
• Calculated formula: C80 H64 Au4 F12 P4 S4
• SMILES: c1(c(C(F)(F)F)cccc1)S[Au][P](c1ccccc1)(c1ccccc1)CC[P](c1ccccc1)(c1ccccc1)[Au]Sc1c(C(F)(F)F)cccc1
• 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: 12.5426 ± 0.0005 Å
• b: 12.7737 ± 0.0004 Å
• c: 13.3107 ± 0.0005 Å
• α: 84.665 ± 0.003°
• β: 67.65 ± 0.004°
• γ: 74.963 ± 0.003°
• Cell volume: 1904.8 ± 0.13 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No