Information card for entry 7107774

Structure parameters

• Formula: C16 H15 Cl7 F N Pt
• Calculated formula: C16 H15 Cl7 F N Pt
• SMILES: [Pt]12(Cl)(Cl)(Cl)[Cl]CC(c3[n]1c(ccc3)c1ccc(F)cc21)(C)C.C(Cl)(Cl)Cl
• Title of publication: Concerted reductive coupling of an alkyl chloride at Pt(IV)
• Authors of publication: Sarah H. Crosby; Helen R. Thomas; Guy J. Clarkson; Jonathan P. Rourke
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 5775
• a: 8.1614 ± 0.0003 Å
• b: 10.0416 ± 0.0004 Å
• c: 13.4119 ± 0.0006 Å
• α: 83.023 ± 0.003°
• β: 74 ± 0.003°
• γ: 78.171 ± 0.003°
• Cell volume: 1031.67 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.054
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No