Information card for entry 4083081

Structure parameters

• Common name: [(IPrEtOH)AuCl3]
• Formula: C17 H24 Au Cl3 N2 O
• Calculated formula: C17 H24 Au Cl3 N2 O
• SMILES: [Au](=C1N(CCO)C=CN1c1c(cccc1C(C)C)C(C)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: 10.5273 ± 0.0005 Å
• b: 12.7568 ± 0.0006 Å
• c: 15.8475 ± 0.0007 Å
• α: 90°
• β: 108.648 ± 0.003°
• γ: 90°
• Cell volume: 2016.5 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No