Information card for entry 4089084

Structure parameters

• Formula: C27 H33 F2 I N P Pt
• Calculated formula: C27 H33 F2 I N P Pt
• SMILES: [Pt]1(I)([P](CCC)(CCC)CCC)c2cc(F)ccc2c2[n]1c(ccc2)c1ccc(F)cc1C
• 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: 17.1855 ± 0.0002 Å
• b: 12.17889 ± 0.00016 Å
• c: 13.62801 ± 0.00018 Å
• α: 90°
• β: 106.936 ± 0.0013°
• γ: 90°
• Cell volume: 2728.65 ± 0.06 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: 0.038
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No