Information card for entry 4134771

Structure parameters

• Formula: C46 H35 Au2 N3 P2 S2
• Calculated formula: C46 H35 Au2 N3 P2 S2
• 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: 12.5803 ± 0.0014 Å
• b: 13.1347 ± 0.0014 Å
• c: 25.578 ± 0.003 Å
• α: 90°
• β: 100.26 ± 0.002°
• γ: 90°
• Cell volume: 4158.9 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1381
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No