Information card for entry 7150788

Structure parameters

• Formula: C51.5 H73.5 Cl4.5 I2 P4 Pt2
• Calculated formula: C50 H72 I2 P4 Pt2
• Title of publication: Synthesis and X-ray structural analysis of platinum and ethynyl-platinum corannulenes: supramolecular tectons
• Authors of publication: Maag, Roman; Northrop, Brian H.; Butterfield, Anna; Linden, Anthony; Zerbe, Oliver; Lee, Young Min; Chi, Ki-Whan; Stang, Peter J.; Siegel, Jay S.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 23
• Pages of publication: 4881 - 4885
• a: 20.7278 ± 0.0002 Å
• b: 14.8192 ± 0.0001 Å
• c: 22.0662 ± 0.0002 Å
• α: 90°
• β: 115.237 ± 0.0006°
• γ: 90°
• Cell volume: 6131.09 ± 0.1 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 6
• 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: 0.0884
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.2167
• Weighted residual factors for all reflections included in the refinement: 0.225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No