Information card for entry 4089086

Structure parameters

• Formula: C27 H32 F2 N P Pt
• Calculated formula: C27 H32 F2 N P Pt
• SMILES: [Pt]12(c3cc(F)ccc3c3[n]1c(ccc3)c1c(cc(F)cc21)C)[P](CCC)(CCC)CCC
• Title of publication: Long-Lived Five-Coordinate Platinum(IV) Intermediates: Regiospecific C‒C Coupling
• Authors of publication: Shaw, Paul A.; Clarkson, Guy J.; Rourke, Jonathan P.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 21
• Pages of publication: 3751
• a: 9.9623 ± 0.0003 Å
• b: 9.2215 ± 0.0003 Å
• c: 27.2996 ± 0.0008 Å
• α: 90°
• β: 100.217 ± 0.003°
• γ: 90°
• Cell volume: 2468.17 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0811
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No