Information card for entry 4315591

Structure parameters

• Formula: C15 H20 Au Cl N4 O
• Calculated formula: C15 H20 Au Cl N4 O
• SMILES: [Au](Cl)=C1N(C=NN1CC(=O)NC(C)(C)C)Cc1ccccc1
• 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: 8.121 ± 0.0018 Å
• b: 9.2535 ± 0.0015 Å
• c: 12.75 ± 0.002 Å
• α: 88.682 ± 0.014°
• β: 85.842 ± 0.016°
• γ: 65.901 ± 0.019°
• Cell volume: 872.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0964
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.213
• Weighted residual factors for all reflections included in the refinement: 0.2254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No