Information card for entry 4103539

Structure parameters

• Formula: C44 H68 Cl2 P4 Pt2
• Calculated formula: C44 H67 Cl2 P4 Pt2
• SMILES: [Pt](Cl)([P](CC)(CC)CC)([P](CC)(CC)CC)C#Cc1ccccc1C#CC#Cc1ccccc1C#C[Pt](Cl)([P](CC)(CC)CC)[P](CC)(CC)CC
• Title of publication: Synthesis and Photophysical Studies of Chiral Helical Macrocyclic Scaffolds via Coordination-Driven Self-Assembly of 1,8,9,16-Tetraethynyltetraphenylene. Formation of Monometallic Platinum(II) and Dimetallic Platinum(II)-Ruthenium(II) Complexes
• Authors of publication: Fang Lin; Hai-Yan Peng; Jing-Xing Chen; David T. W. Chik; Zongwei Cai; Keith M. C. Wong; Vivian W. W. Yam; Henry N. C. Wong
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 16383 - 16392
• a: 27.3035 ± 0.0019 Å
• b: 12.9231 ± 0.0009 Å
• c: 14.0208 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4947.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1127
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 0.877
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No