Information card for entry 4310243

Structure parameters

• Common name: Na(18c6),Ni(S2C2(CF3)(CN))2
• Formula: C20 H24 F6 N2 Na Ni O6 S4
• Calculated formula: C20 H24 F6 N2 Na Ni O6 S4
• Title of publication: Between Ni(mnt)2 and Ni(tfd)2i Dithiolene Complexes: the Unsymmetrical 2-(Trifluoromethyl)acrylonitrile-1,2-dithiolate and Its Nickel Complexes
• Authors of publication: Olivier Jeannin; Jacques Delaunay; Frédéric Barrière; Marc Fourmigué
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 9763 - 9770
• a: 7.9125 ± 0.0016 Å
• b: 15.458 ± 0.003 Å
• c: 24.159 ± 0.005 Å
• α: 90°
• β: 92.78 ± 0.03°
• γ: 90°
• Cell volume: 2951.4 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.12
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 0.806
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No