Information card for entry 2214050

Structure parameters

• Chemical name: bis[1-(4-iodobenzyl)pyridinium] bis(1,2-dicyanoethane-1,2-dithiolato-κ^2^S,S')nickelate(II)
• Formula: C32 H22 I2 N6 Ni S4
• Calculated formula: C32 H22 I2 N6 Ni S4
• SMILES: C(#N)C1=C(C#N)S[Ni]2(S1)SC(=C(C#N)S2)C#N.c1[n+](Cc2ccc(I)cc2)cccc1.c1cccc[n+]1Cc1ccc(I)cc1
• Title of publication: Bis[1-(4-iodobenzyl)pyridinium] bis(maleonitriledithiolato)nickelate(II)
• Authors of publication: H. Zhou; X.-M. Ren
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1932 - m1932
• a: 12.7723 ± 0.0016 Å
• b: 10.4489 ± 0.0013 Å
• c: 13.7585 ± 0.0017 Å
• α: 90°
• β: 105.889 ± 0.002°
• γ: 90°
• Cell volume: 1766 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0663
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 0.822
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes