Information card for entry 2220826

Structure parameters

• Common name: Bis[(<i>E</i>)-1-(3,4-dichlorobenzylideneamino)-4-methylpyridinium] bis(maleonitriledithiolato)nickelate(II)
• Chemical name: Bis[(<i>E</i>)-1-(3,4-dichlorobenzylideneamino)-4-methylpyridinium] bis(1,2-dicyano-1,2-ethylenedithiolato)nickelate(II)
• Formula: C34 H22 Cl4 N8 Ni S4
• Calculated formula: C34 H22 Cl4 N8 Ni S4
• SMILES: C(#N)C1=C(C#N)S[Ni]2(S1)SC(=C(C#N)S2)C#N.c1c(cc[n+](/N=C/c2cc(Cl)c(cc2)Cl)c1)C.c1cc(cc[n+]1/N=C/c1cc(c(cc1)Cl)Cl)C
• Title of publication: Bis[(<i>E</i>)-1-(3,4-dichlorobenzylideneamino)-4-methylpyridinium] bis(maleonitriledithiolato)nickelate(II)
• Authors of publication: Liu, Jian-Lan; Yao, Bing-Qian; Liu, Qi; Zhang, Shao-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: m203 - m204
• a: 10.7054 ± 0.001 Å
• b: 13.8664 ± 0.0013 Å
• c: 12.5043 ± 0.0012 Å
• α: 90°
• β: 95.803 ± 0.001°
• γ: 90°
• Cell volume: 1846.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0404
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes