Information card for entry 1558688

Structure parameters

• Chemical name: <i>trans</i>-Diamminebis(1,2-dicyanoethene-1,2-dithiolato)platinum(IV)
• Formula: C8 H6 N6 Pt S4
• Calculated formula: C8 H6 N6 Pt S4
• SMILES: C1(S[Pt]2([NH3])(SC=1C#N)([NH3])SC(=C(S2)C#N)C#N)C#N
• Title of publication: <i>trans</i>-Diamminebis(1,2-dicyanoethene-1,2-dithiolato)platinum(IV)
• Authors of publication: Siddiqui, Mahaa J.; Nesterov, Volodymyr V.; Steidle, Matthew T.; Smucker, Bradley W.
• Journal of publication: IUCrData
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 7
• Pages of publication: x200980
• a: 6.1778 ± 0.0003 Å
• b: 7.77 ± 0.0004 Å
• c: 14.8862 ± 0.0007 Å
• α: 90°
• β: 95.935 ± 0.004°
• γ: 90°
• Cell volume: 710.73 ± 0.06 ų
• Cell temperature: 100.02 ± 0.11 K
• Ambient diffraction temperature: 100.02 ± 0.11 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: 0.0202
• Residual factor for significantly intense reflections: 0.0168
• Weighted residual factors for significantly intense reflections: 0.0373
• Weighted residual factors for all reflections included in the refinement: 0.0383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes