Information card for entry 4070242

Structure parameters

• Formula: C61 H50 F5 N3 P2 Pt
• Calculated formula: C61 H50 F5 N3 P2 Pt
• SMILES: [Pt]([P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)([P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)(C#CC#Cc1cn(Cc2ccccc2)nn1)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: “Click” Chemistry in Metal Coordination Spheres: Copper(I)-Catalyzed 3+2 Cycloadditions of Benzyl Azide and Platinum Polyynyl Complexestrans-(C6F5)(p-tol3P)2Pt(C≡C)nH (n= 2−6)
• Authors of publication: Gauthier, Sébastien; Weisbach, Nancy; Bhuvanesh, Nattamai; Gladysz, John A.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 19
• Pages of publication: 5597
• a: 25.6836 ± 0.0014 Å
• b: 16.8251 ± 0.0009 Å
• c: 11.9423 ± 0.0009 Å
• α: 90°
• β: 96.724 ± 0.004°
• γ: 90°
• Cell volume: 5125.1 ± 0.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.1478
• Residual factor for significantly intense reflections: 0.0918
• Weighted residual factors for significantly intense reflections: 0.2554
• Weighted residual factors for all reflections included in the refinement: 0.3615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No