Information card for entry 4089087

Structure parameters

• Formula: C28 H35 F2 I N P Pt
• Calculated formula: C28 H35 F2 I N P Pt
• SMILES: [Pt]1(I)([P](CCC)(CCC)CCC)c2cc(ccc2c2[n]1c(ccc2)c1c(C)cc(F)cc1C)F
• 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: 8.56227 ± 0.00007 Å
• b: 17.96588 ± 0.00015 Å
• c: 18.2447 ± 0.00015 Å
• α: 90°
• β: 96.9421 ± 0.0008°
• γ: 90°
• Cell volume: 2785.98 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0306
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0413
• Weighted residual factors for all reflections included in the refinement: 0.0437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No