Information card for entry 4067920

Structure parameters

• Formula: C18 H15 Cl N2 O2 Pt
• Calculated formula: C18 H15 Cl N2 O2 Pt
• SMILES: [Pt]1(Cl)([n]2ccccc2C(=O)c2cccc[n]12)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: 11.4734 ± 0.0006 Å
• b: 12.8132 ± 0.0005 Å
• c: 11.7879 ± 0.0007 Å
• α: 90°
• β: 96.587 ± 0.002°
• γ: 90°
• Cell volume: 1721.51 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No