Information card for entry 4064323

Structure parameters

• Chemical name: (IPrAu)2DABMes(PF6)2
• Formula: C75 H98 Au2 Cl2 F12 N6 P2
• Calculated formula: C75 H98 Au2 Cl2 F12 N6 P2
• Title of publication: Synthesis, Characterization, and Reactivity of Cationic Gold(I) α-Diimine Complexes
• Authors of publication: de Frémont, Pierre; Clavier, Hervé; Rosa, Vitor; Avilés, Teresa; Braunstein, Pierre
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 8
• Pages of publication: 2241
• a: 11.4458 ± 0.0003 Å
• b: 33.5904 ± 0.0009 Å
• c: 11.6845 ± 0.0002 Å
• α: 90°
• β: 110.341 ± 0.001°
• γ: 90°
• Cell volume: 4212.19 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0845
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No