Information card for entry 4114048

Structure parameters

• Formula: C59 H109 Cl2 F9 O10 P6 Pt3 S3 Si
• Calculated formula: C59 H107 Cl2 F9 O10 P6 Pt3 S3 Si
• SMILES: [Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)(OS(=O)(=O)C(F)(F)F)c1ccc([Si](C)(c2ccc([Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)OS(=O)(=O)C(F)(F)F)cc2)c2ccc([Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)[OH2])cc2)cc1.ClCCl.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Coordination-Driven Self-Assembly of Supramolecular Cages: Heteroatom-Containing and Complementary Trigonal Prisms
• Authors of publication: Yury K. Kryschenko; S. Russell Seidel; David C. Muddiman; Angelito I. Nepomuceno; Peter J. Stang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 9647 - 9652
• a: 17.7286 ± 0.0004 Å
• b: 15.9567 ± 0.0005 Å
• c: 30.9432 ± 0.001 Å
• α: 90°
• β: 101.233 ± 0.002°
• γ: 90°
• Cell volume: 8585.8 ± 0.4 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1179
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.1693
• Weighted residual factors for all reflections included in the refinement: 0.1897
• 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