Information card for entry 7057005

Structure parameters

• Formula: C38 H30 Au2 F4 P2 S2
• Calculated formula: C38 H30 Au2 F4 P2 S2
• SMILES: c1(cc(cc(c1)F)F)S[Au][P](CC[P](c1ccccc1)([Au]Sc1cc(cc(c1)F)F)c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 8.985 ± 0.0005 Å
• b: 10.8789 ± 0.0005 Å
• c: 11.1836 ± 0.0006 Å
• α: 76.038 ± 0.004°
• β: 67.746 ± 0.005°
• γ: 75.977 ± 0.004°
• Cell volume: 967.88 ± 0.09 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: 0.0288
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0486
• Weighted residual factors for all reflections included in the refinement: 0.0507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No