Information card for entry 4081017

Structure parameters

• Chemical name: (IPr)Au(Cl2)PyrPF6
• Formula: C67 H88 Au2 Cl4 F12 N6 O P2
• Calculated formula: C67 H88 Au2 Cl4 F12 N6 O P2
• 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: 11.033 ± 0.005 Å
• b: 32.937 ± 0.005 Å
• c: 42.565 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15468 ± 8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 43
• Hermann-Mauguin space group symbol: F 2 d d
• Hall space group symbol: F -2d 2
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections included in the refinement: 0.0482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No