Information card for entry 4067924

Structure parameters

• Formula: C12 H8 F6 N2 O10 Pt S2
• Calculated formula: C12 H8 F6 N2 O10 Pt S2
• SMILES: [Pt]1([n]2c(c3[n]1cccc3)cccc2)([OH2])[OH2].O.O.S(=O)(=O)(C(F)(F)F)[O-].S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Activation of Anisole by Organoplatinum(II) Complexes: Evidence for Rate-Determining C‒H Activation
• Authors of publication: Bonnington, Kevin J.; Zhang, Fenbao; Moustafa, Mahmoud M. Abd Rabo; Cooper, Benjamin F. T.; Jennings, Michael C.; Puddephatt, Richard J.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 1
• Pages of publication: 306
• a: 8.7643 ± 0.0008 Å
• b: 10.225 ± 0.0007 Å
• c: 13.1734 ± 0.0012 Å
• α: 94.007 ± 0.007°
• β: 106.983 ± 0.007°
• γ: 100.868 ± 0.006°
• Cell volume: 1098.95 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No