Information card for entry 2216767

Structure parameters

• Chemical name: Bis(2-amino-1-benzylpyridinium) bis(2,2-dicyanoethene-1,1-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: c1ccccc1C[n+]1c(N)cccc1.S1[Ni]2(SC1=C(C#N)C#N)SC(=C(C#N)C#N)S2.c1ccccc1C[n+]1c(N)cccc1
• Title of publication: Bis(2-amino-1-benzylpyridinium) bis(2,2-dicyanoethene-1,1-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickelate(II)
• Authors of publication: Yong Hou; Qian Huang; Hongrong Zuo; Chunlin Ni
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m2903 - m2903
• a: 20.247 ± 0.005 Å
• b: 10.764 ± 0.003 Å
• c: 15.973 ± 0.004 Å
• α: 90°
• β: 105.462 ± 0.003°
• γ: 90°
• Cell volume: 3355.1 ± 1.5 ų
• Cell temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0936
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes