Information card for entry 4134770

Structure parameters

• Formula: C48 H36 Au2 P2 S2
• Calculated formula: C48 H36 Au2 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: 11.4948 ± 0.0004 Å
• b: 12.7123 ± 0.0005 Å
• c: 13.9821 ± 0.0006 Å
• α: 96.619 ± 0.001°
• β: 93.383 ± 0.001°
• γ: 92.209 ± 0.001°
• Cell volume: 2023.86 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0198
• Residual factor for significantly intense reflections: 0.0179
• Weighted residual factors for significantly intense reflections: 0.0418
• Weighted residual factors for all reflections included in the refinement: 0.0427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No