Information card for entry 7718468

Structure parameters

• Common name: (Et4N)[Ni(pzdtdt)2]
• Chemical name: (tetraethylammonium)[bis([1,4]dithiino[2,3-b]pyrazine-2,3-bis(thiolate))nickelate]
• Formula: C20 H24 N5 Ni S8
• Calculated formula: C20 H24 N5 Ni 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: 21.976 ± 0.002 Å
• b: 8.3085 ± 0.0008 Å
• c: 16.7017 ± 0.0017 Å
• α: 90°
• β: 119.994 ± 0.003°
• γ: 90°
• Cell volume: 2641.1 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0264
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No