Information card for entry 7117137

Structure parameters

• Formula: C29 H36 Cl2 F2 N P Pt
• Calculated formula: C29 H36 Cl2 F2 N P Pt
• SMILES: c12[Pt]3(Cl)([P](CCC3C)(CCCC)CCCC)(Cl)[n]3c(c2ccc(c1)F)cccc3c1ccc(F)cc1
• Title of publication: Intramolecular transcyclometallation: the exchange of an aryl-Pt bond for an alkyl-Pt bond via an agostic intermediate
• Authors of publication: Paul A. Shaw; Jessica M. Phillips; Christopher P. Newman; Guy J. Clarkson; Jonathan P. Rourke
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 8365
• a: 17.9634 ± 0.0006 Å
• b: 13.9987 ± 0.0004 Å
• c: 11.0698 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2783.66 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No