Information card for entry 7712778

Structure parameters

• Chemical name: [Bu4N][Ni(Me-thiazSedt)2]
• Formula: C24 H42 N3 Ni S6 Se2
• Calculated formula: C24 H42 N3 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: 8.5113 ± 0.0002 Å
• b: 13.2483 ± 0.0004 Å
• c: 15.9417 ± 0.0004 Å
• α: 78.77 ± 0.003°
• β: 79.406 ± 0.002°
• γ: 73.437 ± 0.003°
• Cell volume: 1674.19 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1431
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1832
• Weighted residual factors for all reflections included in the refinement: 0.2156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No