Information card for entry 4083078

Structure parameters

• Common name: [(IMesEtOH)AuCl]
• Formula: C14 H18 Au Cl N2 O
• Calculated formula: C14 H18 Au Cl N2 O
• SMILES: C1(=[Au]Cl)N(C=CN1c1c(cc(cc1C)C)C)CCO
• 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: 9.922 ± 0.0004 Å
• b: 12.0235 ± 0.0005 Å
• c: 14.4523 ± 0.0004 Å
• α: 90°
• β: 119.38 ± 0.002°
• γ: 90°
• Cell volume: 1502.37 ± 0.1 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: 0.0516
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No