Information card for entry 1550540

Structure parameters

• Chemical name: (2,2'-Bipyridine)(1,2-dicyanoethene-1,2-dithiolato)platinum(II)
• Formula: C14 H8 N4 Pt S2
• Calculated formula: C14 H8 N4 Pt S2
• SMILES: [Pt]12([n]3ccccc3c3[n]2cccc3)SC(=C(S1)C#N)C#N
• Title of publication: (2,2'-Bipyridine)(1,2-dicyanoethene-1,2-dithiolato)platinum(II)
• Authors of publication: Nesterov, Vladimir N.; Hu, Jiandu; Reinheimer, Eric W.; Smucker, Bradley W.
• Journal of publication: IUCrData
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 1
• Pages of publication: x190158
• a: 10.087 ± 0.003 Å
• b: 7.349 ± 0.002 Å
• c: 19.442 ± 0.006 Å
• α: 90°
• β: 101.276 ± 0.006°
• γ: 90°
• Cell volume: 1413.4 ± 0.7 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220.15 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: 0.0431
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes