Information card for entry 1571955

Structure parameters

• Common name: Bu4N,(pzdt)AuCl2
• Chemical name: tetrabutylammonium, (pyrazinedithiolate)dichloroaurate
• Formula: C20 H38 Au Cl2 N3 S2
• Calculated formula: C20 H38 Au Cl2 N3 S2
• Title of publication: Mixed-ligand, radical, gold bis(dithiolene) complexes: from single-component conductors to controllable NIR-II absorbers.
• Authors of publication: Kharraz, Haia; Alemany, Pere; Canadell, Enric; Le Gal, Yann; Roisnel, Thierry; Cui, Hengbo; Kim, Kee Hoon; Fourmigué, Marc; Lorcy, Dominique
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 29
• Pages of publication: 11604 - 11616
• a: 9.1681 ± 0.0002 Å
• b: 10.7295 ± 0.0004 Å
• c: 13.7336 ± 0.0005 Å
• α: 88.378 ± 0.001°
• β: 77.454 ± 0.001°
• γ: 74.948 ± 0.001°
• Cell volume: 1272.89 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0234
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.0568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No