Information card for entry 4134768

Structure parameters

• Formula: C43.5 H36 Au2 Cl3 N3 P2 S
• Calculated formula: C43.5 H36 Au2 Cl3 N3 P2 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: 17.4021 ± 0.0016 Å
• b: 22.787 ± 0.002 Å
• c: 11.8185 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4686.5 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No