Information card for entry 1546254

Structure parameters

• Formula: C42 H34 Cl10 F2 N O P Pt
• Calculated formula: C42 H34 Cl10 F2 N O P Pt
• Title of publication: Reversible C-C bond formation at a triply cyclometallated platinum(IV) centre
• Authors of publication: Shaw, Paul Anthony; Clarkson, Guy James; Rourke, Jonathan P.
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 23.6952 ± 0.0004 Å
• b: 14.2502 ± 0.0003 Å
• c: 27.6824 ± 0.0005 Å
• α: 90°
• β: 103.199 ± 0.0019°
• γ: 90°
• Cell volume: 9100.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No