Information card for entry 2221764

Structure parameters

• Chemical name: 1-(2-Fluorobenzylideneamino)pyridinium bis(1,2-dicyanoethene-1,2-dithiolato)nickelate(II)
• Formula: C32 H20 F2 N8 Ni S4
• Calculated formula: C32 H20 F2 N8 Ni S4
• SMILES: C1(=C(C#N)S[Ni]2(S1)SC(=C(C#N)S2)C#N)C#N.Fc1ccccc1/C=N/[n+]1ccccc1.Fc1ccccc1/C=N/[n+]1ccccc1
• Title of publication: 1-(2-Fluorobenzylideneamino)pyridinium bis(1,2-dicyanoethene-1,2-dithiolato)nickelate(II)
• Authors of publication: Zhang, Hui; Zhou, Quan; Hu, Fengkai; Xu, Han; Chang, Guanru
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: m599
• a: 7.9248 ± 0.0013 Å
• b: 9.1774 ± 0.0015 Å
• c: 11.1526 ± 0.0018 Å
• α: 88.326 ± 0.003°
• β: 77.202 ± 0.004°
• γ: 85.448 ± 0.004°
• Cell volume: 788.4 ± 0.2 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: 0.0887
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 0.757
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes