Information card for entry 4348166

Structure parameters

• Formula: C40 H46 N6 Pt S4
• Calculated formula: C40 H46 N6 Pt S4
• SMILES: c12nccnc2S[Pt]2(S1)Sc1c(nccn1)S2.C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC
• Title of publication: Steady-State Spectroscopic Analysis of Proton-Dependent Electron Transfer on Pyrazine-Appended Metal Dithiolenes [Ni(pdt)2], [Pd(pdt)2], and [Pt(pdt)2] (pdt = 2,3-Pyrazinedithiol).
• Authors of publication: Kennedy, Steven R.; Kozar, Morgan N.; Yennawar, Hemant P.; Lear, Benjamin J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 17
• Pages of publication: 8459 - 8467
• a: 8.2394 ± 0.0015 Å
• b: 20.015 ± 0.004 Å
• c: 14.35 ± 0.003 Å
• α: 90°
• β: 99.736 ± 0.004°
• γ: 90°
• Cell volume: 2332.4 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1188
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.1827
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No