Information card for entry 2213126

Structure parameters

• Chemical name: Bis(Tetra-n-butylammonium) bis(1,2-dicyanoethylene-1,2-dithiolato-κ^2^S,S')palladium(II)
• Formula: C40 H72 N6 Pd S4
• Calculated formula: C40 H72 N6 Pd S4
• SMILES: C1(=C(C#N)S[Pd]2(S1)SC(=C(C#N)S2)C#N)C#N.C([N+](CCCC)(CCCC)CCCC)CCC.C(CCC)[N+](CCCC)(CCCC)CCCC
• Title of publication: Bis(tetra-<i>n</i>-butylammonium) bis(1,2-dicyanoethylene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')palladate(II)
• Authors of publication: Xu, Hong-Wu; Yuan, Wen-Bing; Li, Jin-Xia; Liu, Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1237 - m1238
• a: 9.7986 ± 0.0011 Å
• b: 10.8084 ± 0.0012 Å
• c: 12.403 ± 0.0013 Å
• α: 85.631 ± 0.002°
• β: 87.964 ± 0.002°
• γ: 65.476 ± 0.002°
• Cell volume: 1191.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0956
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes