Information card for entry 1571956

Structure parameters

• Common name: [Au(bdt)(Et-thiazdt)]
• Chemical name: (Benzene-1,2-dithiolate)(N-Ethyl-thiazoline-2-one-4,5-dithiolate)gold
• Formula: C11 H9 Au N S6
• Calculated formula: C11 H9 Au N S6
• 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: 7.5222 ± 0.0006 Å
• b: 7.5384 ± 0.0006 Å
• c: 13.3073 ± 0.0013 Å
• α: 94.405 ± 0.003°
• β: 97.176 ± 0.003°
• γ: 94.089 ± 0.003°
• Cell volume: 743.97 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0187
• Weighted residual factors for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.0467
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No