Information card for entry 2213777

Structure parameters

• Chemical name: Bis[1-benzyl-4-(dimethylamino)pyridinium] bis(2,2-dicyanoethylene-1,1-dithiolato-κ^2^S,S')nickelate(II)
• Formula: C36 H34 N8 Ni S4
• Calculated formula: C36 H34 N8 Ni S4
• SMILES: C1(=C(C#N)C#N)S[Ni]2(S1)SC(=C(C#N)C#N)S2.c1c(C[n+]2ccc(N(C)C)cc2)cccc1.c1ccccc1C[n+]1ccc(N(C)C)cc1
• Title of publication: Bis[1-benzyl-4-(dimethylamino)pyridinium] bis(2,2-dicyanoethylene-1,1-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickelate(II)
• Authors of publication: Chu-Wen Feng; Xiang-Rong Li; Yong Hou; Chun-Lin Ni
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1762 - m1762
• a: 8.0456 ± 0.0012 Å
• b: 9.6829 ± 0.0015 Å
• c: 13.202 ± 0.002 Å
• α: 76.134 ± 0.002°
• β: 78.312 ± 0.002°
• γ: 68.834 ± 0.002°
• Cell volume: 923.5 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes