Information card for entry 4071971

Structure parameters

• Formula: C43 H67 F5 P4 Pt2
• Calculated formula: C43 H67 F5 P4 Pt2
• SMILES: [Pt]1([P](CC)(CC)CC)(C#CC#CC#C[Pt]1([P](CC)(CC)CC)([P](CC)(CC)CC)c1ccc(C)cc1)([P](CC)(CC)CC)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Syntheses, Structures, and Electronic and Photophysical Properties of Unsymmetrically Substituted Butadiynediyl and Hexatriynediyl Complexes Derived from (C6F5)(R3P)2Pt, (p-tol)(R3P)2Pt, and (Ph3P)Au End-Groups
• Authors of publication: de Quadras, Laura; Shelton, Abigail H.; Kuhn, Helene; Hampel, Frank; Schanze, Kirk S.; Gladysz, John A.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 19
• Pages of publication: 4979
• a: 13.5959 ± 0.0002 Å
• b: 11.4504 ± 0.0002 Å
• c: 30.672 ± 0.0005 Å
• α: 90°
• β: 90.788 ± 0.001°
• γ: 90°
• Cell volume: 4774.52 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No