Information card for entry 4081016

Structure parameters

• Common name: ICyAuPyrPF6
• Formula: C23 H35 Au F6 N3 O P
• Calculated formula: C23 H35 Au F6 N3 O P
• SMILES: [Au](=C1N(C=CN1C1CCCCC1)C1CCCCC1)[n]1ccccc1.[P](F)(F)(F)(F)(F)[F-].C(=O)(C)C
• Title of publication: Synthesis, Characterization, and Catalytic Activity of Cationic NHC Gold(III) Pyridine Complexes
• Authors of publication: Orbisaglia, Serena; Jacques, Béatrice; Braunstein, Pierre; Hueber, Damien; Pale, Patrick; Blanc, Aurélien; de Frémont, Pierre
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 15
• Pages of publication: 4153
• a: 8.763 ± 0.005 Å
• b: 14.889 ± 0.005 Å
• c: 20.424 ± 0.005 Å
• α: 91.937 ± 0.005°
• β: 91.624 ± 0.005°
• γ: 95.886 ± 0.005°
• Cell volume: 2647.8 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0635
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No