Information card for entry 7104976

Structure parameters

• Formula: C32.5 H44 Au4 Cl5.5 F3 N6 P2.5
• Calculated formula: C32.5 H44 Au4 Cl5.5 F3 N6 P3
• Title of publication: Intermolecular aurophilic interactions facilitate assembly of a complex rotaxane in solution.
• Authors of publication: Horvath, Ulrike E I; McKenzie, Jean M; Cronje, Stephanie; Raubenheimer, Helgard G; Barbour, Leonard J
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal issue: 43
• Pages of publication: 6598 - 6600
• a: 13.232 ± 0.009 Å
• b: 14.873 ± 0.01 Å
• c: 14.917 ± 0.01 Å
• α: 119.874 ± 0.009°
• β: 108.507 ± 0.012°
• γ: 93.365 ± 0.012°
• Cell volume: 2329 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3277
• Residual factor for significantly intense reflections: 0.1246
• Weighted residual factors for significantly intense reflections: 0.255
• Weighted residual factors for all reflections included in the refinement: 0.3545
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No