Information card for entry 4134767

Structure parameters

• Formula: C25.5 H22 Au Cl3 N3 P S
• Calculated formula: C25.5 H22 Au Cl3 N3 P S
• Title of publication: Excited State Turn-On of Aurophilicity and Tunability of Relativistic Effects in a Series of Digold Triazolates Synthesized via iClick.
• Authors of publication: Zeman, Charles J.; Shen, Yu-Hsuan; Heller, Jessica; Abboud, Khalil A.; Schanze, Kirk S.; Veige, Adam S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 14.4013 ± 0.0005 Å
• b: 22.8626 ± 0.0008 Å
• c: 17.4326 ± 0.0005 Å
• α: 90°
• β: 111.053 ± 0.0011°
• γ: 90°
• Cell volume: 5356.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No