Information card for entry 7120888

Structure parameters

• Common name: None
• Formula: C40 H30 Au Cl F6 N2 O2 P2
• Calculated formula: C40 H30 Au Cl F6 N2 O2 P2
• SMILES: [Au](Cl)([P](c1c(NC(=O)C(F)(F)F)cccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1c(NC(=O)C(F)(F)F)cccc1)c1ccccc1
• Title of publication: An ambiphilic phosphine/H-bond donor ligand and its application to the gold mediated cyclization of propargylamides
• Authors of publication: Sen, Srobona; Gabbaï, François P.
• Journal of publication: Chemical Communications
• Year of publication: 2017
• a: 8.3163 ± 0.0018 Å
• b: 11.311 ± 0.002 Å
• c: 20.388 ± 0.004 Å
• α: 97.177 ± 0.003°
• β: 92.474 ± 0.003°
• γ: 90.001 ± 0.003°
• Cell volume: 1901 ± 0.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No