Information card for entry 4306639

Structure parameters

• Formula: C10 H15 Au Cl N3
• Calculated formula: C10 H15 Au Cl N3
• SMILES: [Au](Cl)=C(NC(C)(C)C)Nc1ncccc1
• Title of publication: Gold(I) Complexes with Hydrogen-Bond Supported Heterocyclic Carbenes as Active Catalysts in Reactions of 1,6-Enynes
• Authors of publication: Camino Bartolomé; Zoraida Ramiro; Patricia Pérez-Galán; Christophe Bour; Mihai Raducan; Antonio M. Echavarren; Pablo Espinet
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 11391 - 11397
• a: 10.746 ± 0.004 Å
• b: 10.834 ± 0.004 Å
• c: 13.974 ± 0.005 Å
• α: 109.282 ± 0.007°
• β: 92.789 ± 0.007°
• γ: 119.223 ± 0.006°
• Cell volume: 1296 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0897
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No