Information card for entry 7706858

Structure parameters

• Common name: chloro(1-trifluoromethyl-9‒phosphotriptycene)gold(I) toluene hemi-solvate
• Chemical name: chloro(1-trifluoromethyl-9‒phosphotriptycene)gold(I) toluene hemi-solvate
• Formula: C47 H32 Au2 Cl2 F6 P2
• Calculated formula: C47 H32 Au2 Cl2 F6 P2
• Title of publication: Sterically hindered ortho-substituted phosphatriptycenes as configurationally stable P-chirogenic triarylphosphines.
• Authors of publication: Hu, Lei; Mahaut, Damien; Tumanov, Nikolay; Wouters, Johan; Collard, Laurent; Robiette, Raphaël; Berionni, Guillaume
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 14
• Pages of publication: 4772 - 4777
• a: 14.81554 ± 0.00013 Å
• b: 17.38646 ± 0.00013 Å
• c: 16.11733 ± 0.00012 Å
• α: 90°
• β: 90.9329 ± 0.0007°
• γ: 90°
• Cell volume: 4151.11 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0294
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No