Information card for entry 4120752

Structure parameters

• Formula: C21 H25 Au Cl N3
• Calculated formula: C21 H25 Au Cl N3
• SMILES: [Au](Cl)c1c(c2c(C)cc(C)cc2C)[n+](nn1c1c(C)cc(C)cc1C)C
• Title of publication: Carbene Transfer from Triazolylidene Gold Complexes as a Potent Strategy for Inducing High Catalytic Activity
• Authors of publication: Daniel Canseco-Gonzalez; Ana Petronilho; Helge Müller-Bunz; Kohsuke Ohmatsu; Takashi Ooi; Martin Albrecht
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 13193 - 13203
• a: 6.3216 ± 0.0002 Å
• b: 15.7217 ± 0.0003 Å
• c: 20.9517 ± 0.0004 Å
• α: 90°
• β: 91.673 ± 0.002°
• γ: 90°
• Cell volume: 2081.42 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections included in the refinement: 0.0503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No