Information card for entry 2241787

Structure parameters

• Common name: Bis(1-hexyl-<i>N</i>,<i>N</i>-dimethylpyridinium) bis(maleonitriledithiolato)nickelate(II)
• Formula: C34 H46 N8 Ni S4
• Calculated formula: C34 H46 N8 Ni S4
• SMILES: C(#N)C1=C(C#N)S[Ni]2(S1)SC(=C(C#N)S2)C#N.CCCCCC[n+]1ccc(N(C)C)cc1.CCCCCC[n+]1ccc(N(C)C)cc1
• Title of publication: Crystal structure of bis(1-hexyl-<i>N</i>,<i>N</i>-dimethylpyridinium) bis(maleonitriledithiolato)nickelate(II)
• Authors of publication: Yu, Shan-Shan; Zhang, Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 8
• Pages of publication: 1197 - 1200
• a: 14.241 ± 0.002 Å
• b: 8.7129 ± 0.0014 Å
• c: 16.393 ± 0.003 Å
• α: 90°
• β: 102.56 ± 0.002°
• γ: 90°
• Cell volume: 1985.4 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes