Information card for entry 7712779

Structure parameters

• Chemical name: [Et4N] [Ni(Me-thiazSedt)2]2
• Formula: C12 H16 N2.5 Ni S6 Se2
• Calculated formula: C12 H16 N2.5 Ni S6 Se2
• Title of publication: A highly conducting mixed-valence nickel bis(dithiolene) salt [Et4N][Ni(Me-thiazSe-dt)2]2 with selone substitution
• Authors of publication: Hachem, Hadi; Jeannin, olivier; Cui, Hengbo; Kato, Reizo; Fourmigué, Marc; Lorcy, Dominique
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 8.2371 ± 0.0011 Å
• b: 11.5377 ± 0.0017 Å
• c: 12.3255 ± 0.0016 Å
• α: 65.007 ± 0.005°
• β: 87.675 ± 0.005°
• γ: 70.068 ± 0.005°
• Cell volume: 990.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1803
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No