Information card for entry 2220302

Structure parameters

• Chemical name: Tetra-n-butylammonium bis(1,1-dicyanoethylene-2,2-dithiolato)platinum(II)
• Formula: C40 H72 N6 Pt S4
• Calculated formula: C40 H72 N6 Pt S4
• SMILES: C1(=C(C#N)C#N)S[Pt]2(S1)SC(=C(C#N)C#N)S2.C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC
• Title of publication: Tetra-<i>n</i>-butylammonium bis(1,1-dicyanoethylene-2,2-dithiolato)platinum(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: m1552
• a: 9.8687 ± 0.0006 Å
• b: 16.9556 ± 0.0011 Å
• c: 13.8274 ± 0.0009 Å
• α: 90°
• β: 92.84 ± 0.001°
• γ: 90°
• Cell volume: 2310.9 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes