Information card for entry 7109479

Structure parameters

• Formula: C32 H38 N2 Pt2 S2
• Calculated formula: C32 H38 N2 Pt2 S2
• SMILES: [Pt]12([S]([Pt]3([S]1C)(C)(C)c1ccccc1C=[N]3c1ccccc1)C)(C)(C)c1ccccc1C=[N]2c1ccccc1
• Title of publication: Easy activation of the aryl-sulfur bond by platinum(II)
• Authors of publication: Seowoo Kim; Paul D. Boyle; Matthew S. McCready; Kyle R. Pellarin; Richard J. Puddephatt
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 6421
• a: 20.627 ± 0.006 Å
• b: 9.269 ± 0.003 Å
• c: 16.44 ± 0.004 Å
• α: 90°
• β: 111.186 ± 0.009°
• γ: 90°
• Cell volume: 2930.7 ± 1.5 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0453
• Weighted residual factors for all reflections included in the refinement: 0.0464
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No