Information card for entry 4315593

Structure parameters

• Formula: C15 H19 Au Cl N3 O
• Calculated formula: C15 H19 Au Cl N3 O
• SMILES: [Au](Cl)=C1N(C=NN1[C@@H]1[C@@H](O)CCCC1)Cc1ccccc1.[Au](Cl)=C1N(C=NN1[C@H]1[C@H](O)CCCC1)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: 7.002 ± 0.0003 Å
• b: 10.8493 ± 0.0004 Å
• c: 11.2981 ± 0.0004 Å
• α: 115.421 ± 0.004°
• β: 97.293 ± 0.003°
• γ: 90.211 ± 0.003°
• Cell volume: 767.29 ± 0.06 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: 0.0992
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.211
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No