Information card for entry 4315592

Structure parameters

• Formula: C14 H23 Au Cl N3 O2
• Calculated formula: C14 H23 Au Cl N3 O2
• SMILES: C1(=[Au]Cl)N(CC(=O)C(C)(C)C)N=CN1CC(=O)C(C)(C)C
• Title of publication: Highly Convenient Regioselective Intermolecular Hydroamination of Alkynes Yielding Ketimines Catalyzed by Gold(I) Complexes of 1,2,4-triazole Based N-heterocyclic Carbenes
• Authors of publication: Chandrakanta Dash; Mobin M. Shaikh; Ray J. Butcher; Prasenjit Ghosh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 4972 - 4983
• a: 12.504 ± 0.0013 Å
• b: 8.6925 ± 0.0009 Å
• c: 16.307 ± 0.0016 Å
• α: 90°
• β: 99.148 ± 0.009°
• γ: 90°
• Cell volume: 1749.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No