Information card for entry 1571958

Structure parameters

• Common name: (Bu4N)[Au(bdt)2]
• Chemical name: Tetrabutylammonium,bis(benzene-1,2-dithiolate)aurate
• Formula: C28 H44 Au N S4
• Calculated formula: C28 H44 Au N S4
• 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: 16.4609 ± 0.0017 Å
• b: 19.7757 ± 0.0018 Å
• c: 18.6188 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6060.9 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0187
• Residual factor for significantly intense reflections: 0.0162
• Weighted residual factors for significantly intense reflections: 0.0388
• Weighted residual factors for all reflections included in the refinement: 0.0402
• Goodness-of-fit parameter for all reflections included in the refinement: 0.872
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No