Information card for entry 4310240

Structure parameters

• Common name: (Na(18c6))2, Ni(S2C2(CF3)(CN))2
• Formula: C34 H54 F6 N2 Na2 Ni O14 S4
• Calculated formula: C34 H54 F6 N2 Na2 Ni O14 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: 28.35 ± 0.006 Å
• b: 10.787 ± 0.002 Å
• c: 17.958 ± 0.004 Å
• α: 90°
• β: 119.99 ± 0.03°
• γ: 90°
• Cell volume: 4756 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.0706
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 0.889
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No