Information card for entry 2216368

Structure parameters

• Chemical name: Bis[1-(4-fluorobenzyl)pyridinium] bis(2,2-dicyanoethene-1,1-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickelate(II)
• Formula: C32 H22 F2 N6 Ni S4
• Calculated formula: C32 H22 F2 N6 Ni S4
• SMILES: c1c(ccc(c1)F)C[n+]1ccccc1.[Ni]12(SC(=C(C#N)C#N)S1)SC(=C(C#N)C#N)S2.c1cc(ccc1C[n+]1ccccc1)F
• Title of publication: Bis[1-(4-fluorobenzyl)pyridinium] bis(2,2-dicyanoethene-1,1-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickelate(II)
• Authors of publication: Ai-Qun Zhou; Chun-Lin Ni
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3084 - m3084
• a: 7.085 ± 0.001 Å
• b: 9.048 ± 0.001 Å
• c: 13.182 ± 0.001 Å
• α: 71.68 ± 0.01°
• β: 74.93 ± 0.01°
• γ: 82.11 ± 0.01°
• Cell volume: 773.19 ± 0.16 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0261
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes