Information card for entry 7150787

Structure parameters

• Formula: C52 H90 B22 Br12 N2 P4 Pt2
• Calculated formula: C52 H90 B22 Br12 N2 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: 31.0338 ± 0.0002 Å
• b: 33.4144 ± 0.0002 Å
• c: 8.0692 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8367.57 ± 0.13 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 7
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1763
• Weighted residual factors for all reflections included in the refinement: 0.1864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No