Information card for entry 2220304

Structure parameters

• Chemical name: Tetra-n-butylammonium bis(2,2-dicyanoethylene-1,1-dithiolato)palladium(II)
• Formula: C40 H72 N6 Pd S4
• Calculated formula: C40 H72 N6 Pd S4
• SMILES: C1(=C(C#N)C#N)S[Pd]2(S1)SC(=C(C#N)C#N)S2.C([N+](CCCC)(CCCC)CCCC)CCC.C(CCC)[N+](CCCC)(CCCC)CCCC
• Title of publication: Tetra-<i>n</i>-butylammonium bis(2,2-dicyanoethylene-1,1-dithiolato)palladium(II)
• Authors of publication: Kanganga, Nyasha; Mann, Kent R.; Janzen, Daron E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m1565
• a: 13.9468 ± 0.0013 Å
• b: 8.6267 ± 0.0008 Å
• c: 20.3231 ± 0.0019 Å
• α: 90°
• β: 108.218 ± 0.002°
• γ: 90°
• Cell volume: 2322.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0304
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes