Information card for entry 4067922

Structure parameters

• Formula: C17 H15 Cl N2 O Pt
• Calculated formula: C17 H15 Cl N2 O Pt
• SMILES: [Pt]1([n]2c(c3[n]1cccc3)cccc2)(Cl)c1ccc(cc1)OC
• 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: 7.1077 ± 0.0003 Å
• b: 10.4427 ± 0.0006 Å
• c: 20.5971 ± 0.0009 Å
• α: 90°
• β: 92.043 ± 0.003°
• γ: 90°
• Cell volume: 1527.82 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0685
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No