Information card for entry 4067707

Structure parameters

• Formula: C14 H14 Cl6 F N O Pt S
• Calculated formula: C14 H14 Cl6 F N O Pt S
• SMILES: [Pt]1(Cl)(Cl)(Cl)([n]2ccccc2c2c1cc(F)cc2)[S](C)(=O)C.C(Cl)(Cl)Cl
• Title of publication: Platinum(IV) DMSO Complexes: Synthesis, Isomerization, and Agostic Intermediates
• Authors of publication: Crosby, Sarah H.; Clarkson, Guy J.; Deeth, Robert J.; Rourke, Jonathan P.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 8
• Pages of publication: 1966
• a: 8.4226 ± 0.0002 Å
• b: 10.1642 ± 0.0002 Å
• c: 13.2591 ± 0.0003 Å
• α: 72.298 ± 0.001°
• β: 78.893 ± 0.001°
• γ: 67.789 ± 0.001°
• Cell volume: 997.22 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No