Information card for entry 2202229

Structure parameters

• Chemical name: Bis[N-(2-fluoro-4-bromobenzyl)pyridinium] bis(maleonitriledithiolato)palladium(II)
• Formula: C32 H20 Br2 F2 N6 Pd S4
• Calculated formula: C32 H20 Br2 F2 N6 Pd S4
• SMILES: C(#N)C1=C(C#N)S[Pd]2(S1)SC(=C(C#N)S2)C#N.Brc1cc(F)c(C[n+]2ccccc2)cc1.c1cccc[n+]1Cc1c(F)cc(Br)cc1
• Title of publication: The 1:2 bis(maleonitriledithiolato)palladium(II) complex of the <i>N</i>-(2-fluoro-4-bromobenzyl)pyridinium cation
• Authors of publication: Youcun Chen; Jingli Xie; Xiaoming Ren; Guangxiang Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: m157 - m159
• a: 7.114 ± 0.0018 Å
• b: 11.035 ± 0.003 Å
• c: 11.851 ± 0.003 Å
• α: 69.564 ± 0.004°
• β: 89.016 ± 0.004°
• γ: 74.151 ± 0.004°
• Cell volume: 835.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes