Information card for entry 4105103

Structure parameters

• Formula: C15 H15 Cl F N Pt
• Calculated formula: C15 H15 Cl F N Pt
• SMILES: [Pt]12(c3c(c4[n]1c(ccc4)C(C)(C)[CH3]2)ccc(F)c3)Cl
• Title of publication: A Delicate Balance between sp2 and sp3 C-H Bond Activation: A Pt(II) Complex with a Dual Agostic Interaction
• Authors of publication: Sarah H. Crosby; Guy J. Clarkson; Jonathan P. Rourke
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 14142 - 14143
• a: 8.9147 ± 0.0003 Å
• b: 22.8108 ± 0.0006 Å
• c: 6.9905 ± 0.0002 Å
• α: 90°
• β: 104.193 ± 0.004°
• γ: 90°
• Cell volume: 1378.14 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0286
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0434
• Weighted residual factors for all reflections included in the refinement: 0.0444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No