Information card for entry 7718470

Structure parameters

• Common name: (Ph4P)[Au(pzdtdt)2]
• Chemical name: (tetraphenylphosphonium)[bis([1,4]dithiino[2,3-b]pyrazine-2,3-bis(thiolate))aurate)
• Formula: C36 H24 Au N4 P S8
• Calculated formula: C36 H24 Au N4 P S8
• Title of publication: Gold bis(dithiolene) radical with fused pyrazine and dithiine rings on dithiolene ligand turns metallic under pressure.
• Authors of publication: Kharraz, Haia; Alemany, Pere; Canadell, Enric; Roisnel, Thierry; Cui, Hengbo; Kim, Kee Hoon; Fourmigué, Marc; Lorcy, Dominique
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 18
• Pages of publication: 7240 - 7251
• a: 8.4285 ± 0.0008 Å
• b: 11.7655 ± 0.0011 Å
• c: 19.481 ± 0.002 Å
• α: 104.095 ± 0.004°
• β: 99.229 ± 0.004°
• γ: 90.809 ± 0.004°
• Cell volume: 1846.6 ± 0.3 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: 0.031
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No