Information card for entry 2238370

Structure parameters

• Chemical name: Bis(1-ethyl-4,4'-bipyridin-1-ium) bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickelate(II)
• Formula: C32 H26 N8 Ni S4
• Calculated formula: C32 H26 N8 Ni S4
• SMILES: [Ni]12(SC(=C(S2)C#N)C#N)SC(=C(S1)C#N)C#N.c1cc(cc[n+]1CC)c1ccncc1.c1cc(cc[n+]1CC)c1ccncc1
• Title of publication: Bis(1-ethyl-4,4'-bipyridin-1-ium) bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickelate(II)
• Authors of publication: Chen, Yao; Ning, Wei-hua; Liu, Jian-Lan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: m428
• a: 7.4505 ± 0.0013 Å
• b: 12.793 ± 0.002 Å
• c: 17.745 ± 0.003 Å
• α: 78.664 ± 0.002°
• β: 86.558 ± 0.002°
• γ: 80.344 ± 0.002°
• Cell volume: 1634.2 ± 0.5 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: 0.1348
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes