Information card for entry 2218729

Structure parameters

• Chemical name: Bis(1-amino-4-methylpyridinium) bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^S,S')nicklate(II)
• Formula: C20 H18 N8 Ni S4
• Calculated formula: C20 H18 N8 Ni S4
• SMILES: C1(=C(C#N)S[Ni]2(S1)SC(=C(C#N)S2)C#N)C#N.c1[n+](ccc(C)c1)N.Cc1cc[n+](cc1)N
• Title of publication: Bis(1-amino-4-methylpyridinium) bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickelate(II)
• Authors of publication: Liu, Jian-Lan; Yao, Bing-Qian; Zhang, Shao-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m970
• a: 7.678 ± 0.005 Å
• b: 9.095 ± 0.006 Å
• c: 9.665 ± 0.006 Å
• α: 93.116 ± 0.007°
• β: 104.519 ± 0.008°
• γ: 108.813 ± 0.007°
• Cell volume: 611.7 ± 0.7 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: 0.067
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1702
• Weighted residual factors for all reflections included in the refinement: 0.1734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes