Information card for entry 2234421

Structure parameters

• Chemical name: Bis(4-dimethylamino-1-ethylpyridinium) bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickelate(II)
• Formula: C26 H30 N8 Ni S4
• Calculated formula: C26 H30 N8 Ni S4
• SMILES: C1(=C(C#N)S[Ni]2(S1)SC(=C(C#N)S2)C#N)C#N.CC[n+]1ccc(N(C)C)cc1.CC[n+]1ccc(N(C)C)cc1
• Title of publication: Bis(4-dimethylamino-1-ethylpyridinium) bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickelate(II)
• Authors of publication: Yu, Shan-Shan; Zhou, Hong; Ren, Xiao-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m395
• a: 8.1468 ± 0.0014 Å
• b: 9.3305 ± 0.0016 Å
• c: 11.663 ± 0.003 Å
• α: 108.243 ± 0.003°
• β: 100.034 ± 0.003°
• γ: 107.83 ± 0.002°
• Cell volume: 764.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0455
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes