Information card for entry 4083077

Structure parameters

• Common name: [(IPrEtOH)AuCl]
• Formula: C17 H24 Au Cl N2 O
• Calculated formula: C17 H24 Au Cl N2 O
• SMILES: [Au](=C1N(C=CN1CCO)c1c(cccc1C(C)C)C(C)C)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: 9.8799 ± 0.0003 Å
• b: 12.3184 ± 0.0004 Å
• c: 14.9893 ± 0.0004 Å
• α: 90°
• β: 93.656 ± 0.002°
• γ: 90°
• Cell volume: 1820.55 ± 0.09 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: 0.0419
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No