Information card for entry 4131819

Structure parameters

• Formula: C50 H36 Au2 F6 P2
• Calculated formula: C50 H36 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: 31.37 ± 0.008 Å
• b: 14.641 ± 0.003 Å
• c: 19.272 ± 0.004 Å
• α: 90°
• β: 97.17 ± 0.004°
• γ: 90°
• Cell volume: 8782 ± 3 ų
• Cell temperature: 233 K
• Ambient diffraction temperature: 233 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1242
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1484
• Weighted residual factors for all reflections included in the refinement: 0.1809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No