Information card for entry 4131814

Structure parameters

• Formula: C46 H28 Au2 F6 P2
• Calculated formula: C46 H28 Au2 F6 P2
• Title of publication: Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.
• Authors of publication: Jin, Mingoo; Chung, Tim S.; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 49
• Pages of publication: 18115 - 18121
• a: 12.061 ± 0.003 Å
• b: 14.19 ± 0.004 Å
• c: 14.292 ± 0.004 Å
• α: 69.463 ± 0.008°
• β: 67.245 ± 0.008°
• γ: 65.456 ± 0.006°
• Cell volume: 1998.4 ± 0.9 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2135
• Residual factor for significantly intense reflections: 0.0877
• Weighted residual factors for significantly intense reflections: 0.2554
• Weighted residual factors for all reflections included in the refinement: 0.3429
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No