Information card for entry 4067709

Structure parameters

• Formula: C16 H19 Cl3 F N O Pt S
• Calculated formula: C16 H19 Cl3 F N O Pt S
• SMILES: [Pt]1(Cl)(Cl)(Cl)([n]2c(cccc2c2c1cc(F)cc2)CCC)[O]=S(C)C
• 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: 8.6007 ± 0.0003 Å
• b: 14.1997 ± 0.0005 Å
• c: 16.4235 ± 0.0006 Å
• α: 105.974 ± 0.003°
• β: 96.165 ± 0.003°
• γ: 95.714 ± 0.003°
• Cell volume: 1899.59 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0302
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections included in the refinement: 0.0527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No