Information card for entry 2210871

Structure parameters

• Chemical name: Bis[1-(4-nitrobenzyl)pyridinium] bis(2,2-dicyanoethylene-1,1-dithiolato-κ^2^S,S')nickel(II)
• Formula: C32 H22 N8 Ni O4 S4
• Calculated formula: C32 H22 N8 Ni O4 S4
• SMILES: C1(=C(C#N)C#N)S[Ni]2(S1)SC(=C(C#N)C#N)S2.[n+]1(ccccc1)Cc1ccc(cc1)N(=O)=O.c1cc(ccc1C[n+]1ccccc1)N(=O)=O
• Title of publication: Bis[1-(4-nitrobenzyl)pyridinium] bis(2,2-dicyanoethylene-1,1-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickelate(II)
• Authors of publication: Liu, Ming-Guo; Li, Xiao-Yan; Lin, Li-Fa; Ni, Chun-Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m2919 - m2921
• a: 9.825 ± 0.001 Å
• b: 12.092 ± 0.001 Å
• c: 14.66 ± 0.002 Å
• α: 90°
• β: 100.11 ± 0.01°
• γ: 90°
• Cell volume: 1714.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1178
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 0.849
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes