Information card for entry 4083084

Structure parameters

• Common name: [(IMeEtOH)AuCl3
• Formula: C6 H10 Au Cl3 N2 O
• Calculated formula: C6 H10 Au Cl3 N2 O
• SMILES: [Au](=C1N(C=CN1CCO)C)(Cl)(Cl)Cl
• Title of publication: Synthesis, Characterization, and Catalytic Activity of Alcohol-Functionalized NHC Gold(I/III) Complexes
• Authors of publication: Jacques, Béatrice; Hueber, Damien; Hameury, Sophie; Braunstein, Pierre; Pale, Patrick; Blanc, Aurélien; de Frémont, Pierre
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 9
• Pages of publication: 2326
• a: 7.7484 ± 0.0005 Å
• b: 8.9557 ± 0.0003 Å
• c: 15.7392 ± 0.0011 Å
• α: 89.246 ± 0.004°
• β: 87.05 ± 0.003°
• γ: 84.378 ± 0.003°
• Cell volume: 1085.45 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No