Information card for entry 4333145

Structure parameters

• Formula: C8 F12 Pt S4
• Calculated formula: C8 F12 Pt S4
• SMILES: C1(=C(S[Pt]2(S1)SC(=C(C(F)(F)F)S2)C(F)(F)F)C(F)(F)F)C(F)(F)F
• Title of publication: Neutral High-Potential Nickel Triad Bisdithiolenes: Structure and Solid-State NMR Properties of Pt[S2C2(CF3)2]2
• Authors of publication: Kogut, Elzbieta; Tang, Joel A.; Lough, Alan J.; Widdifield, Cory M.; Schurko, Robert W.; Fekl, Ulrich
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 22
• Pages of publication: 8850 - 8852
• a: 4.8285 ± 0.0002 Å
• b: 15.2998 ± 0.0008 Å
• c: 10.2753 ± 0.0006 Å
• α: 90°
• β: 102.077 ± 0.003°
• γ: 90°
• Cell volume: 742.29 ± 0.07 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• 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: 0.0448
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No