Information card for entry 4108782

Structure parameters

• Formula: C20 H24 F6 N2 O6 Pt S2
• Calculated formula: C20 H24 F6 N2 O6 Pt S2
• SMILES: [Pt]1([n]2ccc(cc2c2[n]1ccc(c2)C(C)(C)C)C(C)(C)C)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
• Title of publication: Mechanistic Studies of the Hydroamination of Norbornene with Electrophilic Platinum Complexes: The Role of Proton Transfer
• Authors of publication: Jennifer L. McBee; Alexis T. Bell; T. Don Tilley
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 16562 - 16571
• a: 19.903 ± 0.003 Å
• b: 14.063 ± 0.002 Å
• c: 19.279 ± 0.003 Å
• α: 90°
• β: 100.987 ± 0.002°
• γ: 90°
• Cell volume: 5297.2 ± 1.4 ų
• Cell temperature: 157 ± 2 K
• Ambient diffraction temperature: 157 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 0.788
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No