Information card for entry 2233198

Structure parameters

• Chemical name: Bis(tetra-<i>n</i>-butylammonium) bis(5,6-dicyanopyrazine-2,3-dithiolato-κ^2^<i>S</i>,<i>S</i>')palladium(II)
• Formula: C44 H72 N10 Pd S4
• Calculated formula: C44 H72 N10 Pd S4
• SMILES: C(CCC)[N+](CCCC)(CCCC)CCCC.[Pd]12(Sc3c(nc(c(C#N)n3)C#N)S1)Sc1c(nc(c(C#N)n1)C#N)S2.C(CCC)[N+](CCCC)(CCCC)CCCC
• Title of publication: Bis(tetra-<i>n</i>-butylammonium) bis(5,6-dicyanopyrazine-2,3-dithiolato-κ^2^<i>S</i>,<i>S</i>')palladium(II)
• Authors of publication: Tomura, Masaaki; Yamashita, Yoshiro
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: m57
• a: 9.912 ± 0.003 Å
• b: 10.635 ± 0.004 Å
• c: 13.286 ± 0.004 Å
• α: 68.82 ± 0.02°
• β: 87.74 ± 0.03°
• γ: 80.16 ± 0.03°
• Cell volume: 1286.3 ± 0.8 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 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: 0.2713
• Residual factor for significantly intense reflections: 0.0928
• Weighted residual factors for significantly intense reflections: 0.1631
• Weighted residual factors for all reflections included in the refinement: 0.2218
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes