Information card for entry 4104936

Structure parameters

• Formula: C24 H19 Au N3 P
• Calculated formula: C24 H19 Au N3 P
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)n1nnc2c1cccc2
• Title of publication: Triazole-Au(I) Complexes: A New Class of Catalysts with Improved Thermal Stability and Reactivity for Intermolecular Alkyne Hydroamination
• Authors of publication: Haifeng Duan; Sujata Sengupta; Jeffrey L. Petersen; Novruz G. Akhmedov; Xiaodong Shi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 12100 - 12102
• a: 9.3892 ± 0.0006 Å
• b: 10.1178 ± 0.0007 Å
• c: 22.411 ± 0.0016 Å
• α: 90°
• β: 94.508 ± 0.001°
• γ: 90°
• Cell volume: 2122.4 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.0356
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No