Information card for entry 1572736

Structure parameters

• Formula: C31 H35 Au Cl N4
• Calculated formula: C31 H35 Au Cl N4
• Title of publication: CCC–NHC Au(III) Pincer Complexes as a Reliable Platform for Isolating Elusive Species
• Authors of publication: Valdés, Hugo; Alpuente, Nora; Salvador Sedano, Pedro; Hashmi, Stephen; Ribas, Xavi
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 18.1411 ± 0.0011 Å
• b: 18.1411 ± 0.0011 Å
• c: 10.1359 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2888.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.168
• Residual factor for significantly intense reflections: 0.0935
• Weighted residual factors for significantly intense reflections: 0.2049
• Weighted residual factors for all reflections included in the refinement: 0.2375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No