Information card for entry 2203405

Structure parameters

• Chemical name: Bis[1-(3-bromobenzyl)-3-aminopyridinium] bis(maleonitriledithiolato)nickel(II)
• Formula: C32 H24 Br2 N8 Ni S4
• Calculated formula: C32 H24 Br2 N8 Ni S4
• SMILES: C(#N)C1=C(C#N)S[Ni]2(S1)SC(=C(C#N)S2)C#N.c1(cccc[n+]1Cc1cc(Br)ccc1)N.c1(cccc[n+]1Cc1cc(Br)ccc1)N
• Title of publication: Bis[3-amino-1-(3-bromobenzyl)pyridinium] bis(maleonitriledithiolato)nickel(II)
• Authors of publication: Tian, Zheng-Fang; Li, Yi-Zhi; Meng, Qing-Jin; Dang, Dong-Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: m392 - m393
• a: 27.219 ± 0.007 Å
• b: 8.081 ± 0.002 Å
• c: 20.601 ± 0.005 Å
• α: 90°
• β: 131.01 ± 0.01°
• γ: 90°
• Cell volume: 3419.3 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0672
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes