Information card for entry 4348165

Structure parameters

• Formula: C20 H37 N3 Pd0.5 S2
• Calculated formula: C20 H37 N3 Pd0.5 S2
• 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: 8.0923 ± 0.0008 Å
• b: 20.2213 ± 0.0019 Å
• c: 14.3201 ± 0.0014 Å
• α: 90°
• β: 98.568 ± 0.002°
• γ: 90°
• Cell volume: 2317.1 ± 0.4 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: 0.1013
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.1715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No