Information card for entry 4120747

Structure parameters

• Formula: C19 H21 Au Cl N3 O4
• Calculated formula: C19 H21 Au Cl N3 O4
• SMILES: [Au](Cl)c1c(c2ccc(OC)cc2)[n+](nn1c1cc(OC)c(OC)c(OC)c1)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: 11.4704 ± 0.0003 Å
• b: 13.9336 ± 0.0004 Å
• c: 14.531 ± 0.0005 Å
• α: 104.207 ± 0.002°
• β: 103.858 ± 0.003°
• γ: 109.633 ± 0.002°
• Cell volume: 1984.27 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0334
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections included in the refinement: 0.0474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No