Information card for entry 4111898

Structure parameters

• Formula: C20 H27 Cl2 F9 O10 Pt2 S3
• Calculated formula: C20 H27 Cl2 F9 O10 Pt2 S3
• SMILES: [Pt]123(OS(=O)(=O)C(F)(F)F)([CH]4CC[CH]1=[CH]2CC[CH]3=4)[OH][Pt]123(OS(=O)(=O)C(F)(F)F)[CH]4CC[CH]1=[CH]2CC[CH]3=4.ClCCl.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Platinum-Based Catalysts for the Hydroamination of Olefins with Sulfonamides and Weakly Basic Anilines
• Authors of publication: Dmitry Karshtedt; Alexis T. Bell; T. Don Tilley
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 12640 - 12646
• a: 9.908 ± 0.001 Å
• b: 20.608 ± 0.003 Å
• c: 15.713 ± 0.002 Å
• α: 90°
• β: 96.022 ± 0.002°
• γ: 90°
• Cell volume: 3190.6 ± 0.7 ų
• Cell temperature: 153.2 K
• Number of distinct elements: 7
• 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: 0.0647
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for all reflections: 0.0518
• Weighted residual factors for all reflections included in the refinement: 0.0454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.383
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No