Information card for entry 4110847

Structure parameters

• Formula: C52 H80 Cl2 O2 P4 Pt2
• Calculated formula: C52 H80 Cl2 O2 P4 Pt2
• SMILES: [Pt](Cl)([P](CC)(CC)CC)([P](CC)(CC)CC)C#Cc1ccc2c(c(OCC)ccc2c1)c1c2ccc(cc2ccc1OCC)C#C[Pt](Cl)([P](CC)(CC)CC)[P](CC)(CC)CC
• Title of publication: Directed Assembly of Mesoscopic Metallocycles with Controllable Size, Chirality, and Functionality Based on the Robust Pt-Alkynyl Linkage
• Authors of publication: Hua Jiang; Wenbin Lin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 11286 - 11297
• a: 22.202 ± 0.019 Å
• b: 26.62 ± 0.02 Å
• c: 38.95 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 23020 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1931
• Residual factor for significantly intense reflections: 0.099
• Weighted residual factors for significantly intense reflections: 0.1905
• Weighted residual factors for all reflections included in the refinement: 0.2144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No